Molecular separation method and apparatus

DOEpatents

Villa-Aleman, Eliel

1996-01-01

A method and apparatus for separating a gaseous mixture of chemically identical but physically different molecules based on their polarities. The gaseous mixture of molecules is introduced in discrete quantities into the proximal end of a porous glass molecular. The molecular sieve is exposed to microwaves to excite the molecules to a higher energy state from a lower energy state, those having a higher dipole moment being excited more than those with a lower energy state. The temperature of the sieve kept cold by a flow of liquid nitrogen through a cooling jacket so that the heat generated by the molecules colliding with the material is transferred away from the material. The molecules thus alternate between a higher energy state and a lower one, with the portion of molecules having the higher dipole moment favored over the others. The former portion can then be extracted separately from the distal end of the molecular sieve.

Molecular separation method and apparatus

DOEpatents

Villa-Aleman, E.

1996-04-09

A method and apparatus are disclosed for separating a gaseous mixture of chemically identical but physically different molecules based on their polarities. The gaseous mixture of molecules is introduced in discrete quantities into the proximal end of a porous glass molecular sieve. The molecular sieve is exposed to microwaves to excite the molecules to a higher energy state from a lower energy state, those having a higher dipole moment being excited more than those with a lower energy state. The temperature of the sieve kept cold by a flow of liquid nitrogen through a cooling jacket so that the heat generated by the molecules colliding with the material is transferred away from the material. The molecules thus alternate between a higher energy state and a lower one, with the portion of molecules having the higher dipole moment favored over the others. The former portion can then be extracted separately from the distal end of the molecular sieve. 2 figs.

Ab initio study of Fe{sub 2}MnZ (Al, Si, Ge) Heusler alloy using GGA approximation

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

Jain, Vivek Kumar, E-mail: vivek.jain129@gmail.com; Jain, Vishal, E-mail: vivek.jain129@gmail.com; Lakshmi, N., E-mail: vivek.jain129@gmail.com

Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe{sub 2}MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μ{sub B}. Spin polarization calculations evidence 100% spin polarization for Fe{sub 2}MnSi. Fe{sub 2}MnAl and Fe{sub 2}MnGe show metallic behavior with 93%, 98% spin polarization.

Rotation Detection Using the Precession of Molecular Electric Dipole Moment

NASA Astrophysics Data System (ADS)

Ke, Yi; Deng, Xiao-Bing; Hu, Zhong-Kun

2017-11-01

We present a method to detect the rotation by using the precession of molecular electric dipole moment in a static electric field. The molecular electric dipole moments are polarized under the static electric field and a nonzero electric polarization vector emerges in the molecular gas. A resonant radio-frequency pulse electric field is applied to realize a 90° flip of the electric polarization vector of a particular rotational state. After the pulse electric field, the electric polarization vector precesses under the static electric field. The rotation induces a shift in the precession frequency which is measured to deduce the angular velocity of the rotation. The fundamental sensitivity limit of this method is estimated. This work is only a proposal and does not involve experimental results.

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

PubMed

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

2014-04-05

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

Design study of beam position monitors for measuring second-order moments of charged particle beams

NASA Astrophysics Data System (ADS)

Yanagida, Kenichi; Suzuki, Shinsuke; Hanaki, Hirofumi

2012-01-01

This paper presents a theoretical investigation on the multipole moments of charged particle beams in two-dimensional polar coordinates. The theoretical description of multipole moments is based on a single-particle system that is expanded to a multiparticle system by superposition, i.e., summing over all single-particle results. This paper also presents an analysis and design method for a beam position monitor (BPM) that detects higher-order (multipole) moments of a charged particle beam. To calculate the electric fields, a numerical analysis based on the finite difference method was created and carried out. Validity of the numerical analysis was proven by comparing the numerical with the analytical results for a BPM with circular cross section. Six-electrode BPMs with circular and elliptical cross sections were designed for the SPring-8 linac. The results of the numerical calculations show that the second-order moment can be detected for beam sizes ≧420μm (circular) and ≧550μm (elliptical).

Compensated Ferrimagnetism in the Zero-Moment Heusler Alloy Mn3Al

NASA Astrophysics Data System (ADS)

Jamer, Michelle E.; Wang, Yung Jui; Stephen, Gregory M.; McDonald, Ian J.; Grutter, Alexander J.; Sterbinsky, George E.; Arena, Dario A.; Borchers, Julie A.; Kirby, Brian J.; Lewis, Laura H.; Barbiellini, Bernardo; Bansil, Arun; Heiman, Don

2017-06-01

While antiferromagnets have been proposed as components to limit stray magnetic fields, their inability to be spin polarized inhibits their use in spintronic devices. Compensated ferrimagnets are a unique solution to this dilemma since they have zero net moment, but their nonsymmetric density of states allows the achievement of high spin polarization. Density-functional theory predicts Mn3Al in the D 03 structure to be fully compensated and retain half-metallicity at room temperature. In this work, 50-nm Mn3Al thin films are synthesized using molecular beam epitaxy and annealed at various temperatures in order to investigate their magnetic properties. Magnetometry measurements confirm the high Curie temperature of 605 K. Polarized-neutron reflectometry (PNR) indicates a low net magnetic moment, along with depth profiles of the structure and magnetization. From the PNR data, a saturation moment of 0.11 ±0.04 μB/f .u . is extracted, confirming the nominal zero moment present in these thin films.

The Pole Orientation, Pole Precession, and Moment of Inertia Factor of Saturn

NASA Technical Reports Server (NTRS)

Jacobson, R. A.; French, R. G.; Nicholson, P. D.; Hedman, M.; Colwell, J. E.; Marouf, E.; Rappaport, N.; McGhee, C.; Sepersky, T.; Lonergan, K.

2011-01-01

This paper discusses our determination of the Saturn's pole orientation and precession using a combination of Earthbased and spacecraft based observational data. From our model of the polar motion and the observed precession rate we obtain a value for Saturn's polar moment of inertia

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.

Estimate of the hadronic vacuum polarization disconnected contribution to the anomalous magnetic moment of the muon from lattice QCD

NASA Astrophysics Data System (ADS)

Chakraborty, Bipasha; Davies, C. T. H.; Koponen, J.; Lepage, G. P.; Peardon, M. J.; Ryan, S. M.

2016-04-01

The quark-line disconnected diagram is a potentially important ingredient in lattice QCD calculations of the hadronic vacuum polarization contribution to the anomalous magnetic moment of the muon. It is also a notoriously difficult one to evaluate. Here, for the first time, we give an estimate of this contribution based on lattice QCD results that have a statistically significant signal, albeit at one value of the lattice spacing and an unphysically heavy value of the u /d quark mass. We use HPQCD's method of determining the anomalous magnetic moment by reconstructing the Adler function from time moments of the current-current correlator at zero spatial momentum. Our results lead to a total (including u , d and s quarks) quark-line disconnected contribution to aμ of -0.15 % of the u /d hadronic vacuum polarization contribution with an uncertainty which is 1% of that contribution.

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

Jamer, Michelle E.; Wang, Yung Jui; Stephen, Gregory M.

While antiferromagnets have been proposed as components to limit stray magnetic fields, their inability to be spin polarized inhibits their use in spintronic devices. Compensated ferrimagnets are a unique solution to this dilemma since they have zero net moment, but their nonsymmetric density of states allows the achievement of high spin polarization. Density-functional theory predicts Mn3Al in the D0(3) structure to be fully compensated and retain half-metallicity at room temperature. In this work, 50-nm Mn3Al thin films are synthesized using molecular beam epitaxy and annealed at various temperatures in order to investigate their magnetic properties. Magnetometry measurements confirm the highmore » Curie temperature of 605 K. Polarized-neutron reflectometry (PNR) indicates a low net magnetic moment, along with depth profiles of the structure and magnetization. From the PNR data, a saturation moment of 0.11 +/- 0.04 mu B/f.u. is extracted, confirming the nominal zero moment present in these thin films.« less

Moment analysis of hadronic vacuum polarization. Proposal for a lattice QCD evaluation of gμ - 2

NASA Astrophysics Data System (ADS)

de Rafael, Eduardo

2014-09-01

I suggest a new approach to the determination of the hadronic vacuum polarization (HVP) contribution to the anomalous magnetic moment of the muon aμHVP in lattice QCD. It is based on properties of the Mellin transform of the hadronic spectral function and their relation to the HVP self-energy in the Euclidean. I show how aμHVP is very well approximated by a few moments associated to this Mellin transform and how these moments can be evaluated in lattice QCD, providing thus a series of tests when compared with the corresponding determinations using experimental data.

Magnetic moments and g-factors in odd-A Ho isotopes

NASA Astrophysics Data System (ADS)

Tabar, E.; Yakut, H.; Kuliev, A. A.; Quliyev, H.; Hocşgör, G.

2017-07-01

The ground-state magnetic moment, g K factor and quenching spin gyromagnetic ratio have been calculated using the microscopic method based on the Quasiparticle Phonon Nuclear Model (QPNM) for 155-169Ho nuclei for the first time. It is shown that the residual spin-spin interactions are responsible for the core polarization, and because of the core polarization the spin gyromagnetic factors are quenched. By considering the core polarization effects, a satisfactory agreement is obtained for the computed ground state g K factor, which gives an intrinsic contribution to the magnetic moments. In order to assess the collective contribution to the magnetic moments, the rotational gyromagnetic factors g R have been also calculated within the cranking approximation using the single particle wave function of the axially symmetric Woods-Saxon potential. For the ground-state magnetic moments of odd-proton 155-165Ho nuclei, a good description of the experimental data is obtained with an accuracy of 0.01-0.1 μ N. From systematic trends, the quenching spin gyromagnetic factor, g K factor and magnetic moment have also been theoretically predicted for 167,169Ho where there is no existing experimental data. Supported by Scientific and Technological Research Council of Turkey (TUBITAK) (115F564)

Spectrum of spin waves in cold polarized gases

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

Andreeva, T. L., E-mail: phdocandreeva@yandex.ru

2017-02-15

The spin dynamics of cold polarized gases are investigated using the Boltzmann equation. The dispersion relation for spin waves (transverse component of the magnetic moment) and the spin diffusion coefficient of the longitudinal component of the magnetic moment are calculated without using fitting parameters. The spin wave frequency and the diffusion coefficient for rubidium atoms are estimated numerically.

Solvent effects on the photophysical properties of coumarin dye

NASA Astrophysics Data System (ADS)

Bhavya, P.; Melavanki, Raveendra; Manjunatha, M. N.; Koppal, Varsha; Patil, N. R.; Muttannavar, V. T.

2018-05-01

The absorption and emission spectrum of fluorescent coumarin dye namely, 3-Hydroxy-3-[2-oxo-2-(3-oxo-3H-benzo[f]chromen-2-yl)-ethyl]-1,3-dihydro-indol-2-one [3HBCD] has been recorded at room temperature in solvents of different polarities. The exited state dipole moments (μe) were estimated from Lippert's, Bakhshiev's and Kawski-Chamma-Viallet's equations using the variation of Stoke's shift with the solvent dielectric constant and refractive index. The geometry of the molecule was fully optimized and the μg was also calculated theoretically by Gaussian 03 software using B3LYP/6-31g* level of theory. The μg and μg were calculated by means of solvatochromic shift method. It was observed that μe was higher than μg, indicating a substantial redistribution of the π-electron densities in a more polar excited state for the selected coumarin dye. Further, the changes in the dipole moment (Δμ) was calculated from solvatochromic shift method.

A comparative DFT study on the antioxidant activity of apigenin and scutellarein flavonoid compounds

NASA Astrophysics Data System (ADS)

Sadasivam, K.; Kumaresan, R.

2011-03-01

The potent antioxidant activity of flavonoids relevant to their ability to scavenge reactive oxygen species is the most important function of flavonoids. Density functional theory calculations were explored to investigate the antioxidant activity of flavonoid compounds such as apigenin and scutellarein. The biological characteristics are dependent on electronic parameters, describing the charge distribution on the rings of the flavonoid molecules. The computation of structural and various molecular descriptors such as polarizability, dipole moment, energy gap, homolytic O-H bond dissociation enthalpies (BDEs), ionization potential (IP), electron affinity, hardness, softness, electronegativity, electrophilic index and density plot of molecular orbital for neutral as well as radical species were carried out and studied. The B3LYP/6-311G(d,p) basis set was adopted for all the computations. This computation reveals that scutellarein exhibits higher degree of antioxidant activity than apigenin. Their dipole moment and polarizability analysis show that both the compounds are polar in nature and have the capacity to polarize other atoms.

Source finding in linear polarization for LOFAR, and SKA predecessor surveys, using Faraday moments

NASA Astrophysics Data System (ADS)

Farnes, J. S.; Heald, G.; Junklewitz, H.; Mulcahy, D. D.; Haverkorn, M.; Van Eck, C. L.; Riseley, C. J.; Brentjens, M.; Horellou, C.; Vacca, V.; Jones, D. I.; Horneffer, A.; Paladino, R.

2018-03-01

The optimal source-finding strategy for linear polarization data is an unsolved problem, with many inhibitive factors imposed by the technically challenging nature of polarization observations. Such an algorithm is essential for Square Kilometre Array (SKA) pathfinder surveys, such as the Multifrequency Snapshot Sky Survey with the LOw Frequency ARray (LOFAR), as data volumes are significant enough to prohibit manual inspection. We present a new strategy of `Faraday Moments' for source-finding in linear polarization with LOFAR, using the moments of the frequency-dependent full-Stokes data (i.e. the mean, standard deviation, skewness, and excess kurtosis). Through simulations of the sky, we find that moments can identify polarized sources with a high completeness: 98.5 per cent at a signal to noise of 5. While the method has low reliability, rotation measure (RM) synthesis can be applied per candidate source to filter out instrumental and spurious detections. This combined strategy will result in a complete and reliable catalogue of polarized sources that includes the full sensitivity of the observational bandwidth. We find that the technique can reduce the number of pixels on which RM Synthesis needs to be performed by a factor of ≈1 × 105 for source distributions anticipated with modern radio telescopes. Through tests on LOFAR data, we find that the technique works effectively in the presence of diffuse emission. Extensions of this method are directly applicable to other upcoming radio surveys such as the POlarization Sky Survey of the Universe's Magnetism with the Australia Square Kilometre Array Pathfinder, and the SKA itself.

Properties of Interstellar Turbulence from Gradients of Linear Polarization Maps

NASA Astrophysics Data System (ADS)

Burkhart, Blakesley; Lazarian, A.; Gaensler, B. M.

2012-04-01

Faraday rotation of linearly polarized radio signals provides a very sensitive probe of fluctuations in the interstellar magnetic field and ionized gas density resulting from magnetohydrodynamic (MHD) turbulence. We used a set of statistical tools to analyze images of the spatial gradient of linearly polarized radio emission (|∇P|) for both observational data from a test image of the Southern Galactic Plane Survey (SGPS) and isothermal three-dimensional simulations of MHD turbulence. Visually, in both observations and simulations, a complex network of filamentary structures is seen. Our analysis shows that the filaments in |∇P| can be produced both by interacting shocks and random fluctuations characterizing the non-differentiable field of MHD turbulence. The latter dominates for subsonic turbulence, while the former is only present in supersonic turbulence. We show that supersonic and subsonic turbulence exhibit different distributions as well as different morphologies in the maps of |∇P|. Particularly, filaments produced by shocks show a characteristic "double jump" profile at the sites of shock fronts resulting from delta function-like increases in the density and/or magnetic field, while those produced by subsonic turbulence show a single jump profile. In order to quantitatively characterize these differences, we use the topology tool known as the genus curve as well as the probability distribution function moments of the image distribution. We find that higher values for the moments correspond to cases of |∇P| with larger sonic Mach numbers. The genus analysis of the supersonic simulations of |∇P| reveals a "swiss cheese" topology, while the subsonic cases have characteristics of a "clump" topology. Based on the analysis of the genus and the higher order moments, the SGPS test region data have a distribution and morphology that match subsonic- to transonic-type turbulence, which confirms what is now expected for the warm ionized medium.

Synthesis of low-moment CrVTiAl: A potential room temperature spin filter

NASA Astrophysics Data System (ADS)

Stephen, G. M.; McDonald, I.; Lejeune, B.; Lewis, L. H.; Heiman, D.

2016-12-01

The efficient production of spin-polarized currents at room temperature is fundamental to the advancement of spintronics. Spin-filter materials—semiconductors with unequal band gaps for each spin channel—can generate spin-polarized current without the need for spin-polarized contacts. In addition, a spin-filter material with zero magnetic moment would have the advantage of not producing strong fringing fields that would interfere with neighboring electronic components and limit the volume density of devices. The quaternary Heusler compound CrVTiAl has been predicted to be a zero-moment spin-filter material with a Curie temperature in excess of 1000 K. In this work, CrVTiAl has been synthesized with a lattice constant of a = 6.15 Å. Magnetization measurements reveal an exceptionally low moment of μ = 2.3 × 10-3 μB/f.u. at a field of μ0H = 2 T that is independent of temperature between T = 10 K and 400 K, consistent with the predicted zero-moment ferrimagnetism. Transport measurements reveal a combination of metallic and semiconducting components to the resistivity. Combining a zero-moment spin-filter material with nonmagnetic electrodes would lead to an essentially nonmagnetic spin injector. These results suggest that CrVTiAl is a promising candidate for further research in the field of spintronics.

Sensitivity of polarization fluctuations to the nature of protein-water interactions: Study of biological water in four different protein-water systems

NASA Astrophysics Data System (ADS)

Ghosh, Rikhia; Banerjee, Saikat; Hazra, Milan; Roy, Susmita; Bagchi, Biman

2014-12-01

Since the time of Kirkwood, observed deviations in magnitude of the dielectric constant of aqueous protein solution from that of neat water (˜80) and slower decay of polarization have been subjects of enormous interest, controversy, and debate. Most of the common proteins have large permanent dipole moments (often more than 100 D) that can influence structure and dynamics of even distant water molecules, thereby affecting collective polarization fluctuation of the solution, which in turn can significantly alter solution's dielectric constant. Therefore, distance dependence of polarization fluctuation can provide important insight into the nature of biological water. We explore these aspects by studying aqueous solutions of four different proteins of different characteristics and varying sizes, chicken villin headpiece subdomain (HP-36), immunoglobulin binding domain protein G (GB1), hen-egg white lysozyme (LYS), and Myoglobin (MYO). We simulate fairly large systems consisting of single protein molecule and 20000-30000 water molecules (varied according to the protein size), providing a concentration in the range of ˜2-3 mM. We find that the calculated dielectric constant of the system shows a noticeable increment in all the cases compared to that of neat water. Total dipole moment auto time correlation function of water ⟨δMW(0)δMW(t)⟩ is found to be sensitive to the nature of the protein. Surprisingly, dipole moment of the protein and total dipole moment of the water molecules are found to be only weakly coupled. Shellwise decomposition of water molecules around protein reveals higher density of first layer compared to the succeeding ones. We also calculate heuristic effective dielectric constant of successive layers and find that the layer adjacent to protein has much lower value (˜50). However, progressive layers exhibit successive increment of dielectric constant, finally reaching a value close to that of bulk 4-5 layers away. We also calculate shellwise orientational correlation function and tetrahedral order parameter to understand the local dynamics and structural re-arrangement of water. Theoretical analysis providing simple method for calculation of shellwise local dielectric constant and implication of these findings are elaborately discussed in the present work.

Neutral points of skylight polarization observed during the total eclipse on 11 August 1999.

PubMed

Horváth, Gábor; Pomozi, István; Gál, József

2003-01-20

We report here on the observation of unpolarized (neutral) points in the sky during the total solar eclipse on 11 August 1999. Near the zenith a neutral point was observed at 450 nm at two different points of time during totality. Around this celestial point the distribution of the angle of polarization was heterogeneous: The electric field vectors on the one side were approximately perpendicular to those on the other side. At another moment of totality, near the zenith a local minimum of the degree of linear polarization occurred at 550 nm. Near the antisolar meridian, at a low elevation another two neutral points occurred at 450 nm at a certain moment during totality. Approximately at the position of these neutral points, at another moment of totality a local minimum of the degree of polarization occurred at 550 nm, whereas at 450 nm a neutral point was observed, around which the angle-of-polarization pattern was homogeneous: The electric field vectors were approximately horizontal on both sides of the neutral point.

Synthesis of low-moment CrVTiAl: a potential room temperature spin filter

NASA Astrophysics Data System (ADS)

Stephen, Gregory; Wolfsberg, Jacob; McDonald, Ian; Lejeune, Brian; Lewis, Laura; Heiman, Don

The efficient production of spin-polarized currents at room temperature is fundamental to the advancement of spintronics. Spin-filter materials - semiconductors with unequal band gaps for each spin channel - can generate spin-polarized current without the need for spin-polarizing electrodes. In addition, a spin-filter material with zero magnetic moment would have the advantage of not producing fringing fields to interfere with neighboring components. Several quaternary Heusler compounds have recently been predicted to have spin-filter properties and Curie temperatures TC >1000 K. In this work, CrVTiAl has been synthesized in the Y-type Heusler structure, as confirmed by X-ray diffractometry. Magnetization measurements exhibit an exceptionally small temperature-independent moment of 10-3μB /f.u. up to 400 K, a result that is consistent with zero-moment ferrimagnetism. In addition, temperature dependent resistivity measurements reveal the existence of a semiconducting conduction channel. These results suggest that CrVTiAl is a promising candidate for future spintronic devices.

In Situ Poling and Imidization of Amorphous Piezoelectric Polyimides

NASA Technical Reports Server (NTRS)

Park, Cheol; Ounaies, Zoubeida; Wise, Kristopher E.; Harrison, Joycelyn S.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

An amorphous piezoelectric polyimide containing polar functional groups has been developed using a combination of experimental and molecular modeling for potential use in high temperature applications. This amorphous polyimide, (Beta-CN)APB/ODPA, has exhibited good thermal stability and piezoelectric response at temperatures up to 150C. Density functional calculations predicted that a partially cured amic acid (open imide ring) possesses a dipole moment four times larger than the fully imidized closed ring. In situ poling and imidization of the partially cured (Beta-CN)APB/ODPA, was studied in an attempt to maximize the degree of dipolar orientation and the resultant piezoelectric response. A positive corona poling was used to minimize localized arcing during poling and to allow use of higher poling fields without dielectric breakdown. The dielectric relaxation strength, remanent polarization, and piezoelectric response were evaluated as a function of the poling profile. The partially cured, corona poled polymers exhibited higher dielectric relaxation strength (delta varepsilon), remanent polarization (Pr) and piezoelectric strain coefficient (d33) than the fully cured, conventionally poled ones.

The Use of Ferroelectrics and Dipeptides as Insulators in Organic Field-Effect Transistor Devices

NASA Astrophysics Data System (ADS)

Knotts, Grant

While the electrical transport characteristics of organic electronic devices are generally inferior to their inorganic counterparts, organic materials offer many advantages over inorganics. The materials used in organic devices can often be deposited using cheap and simple processing techniques such as spincoating, inkjet printing, or roll-to-roll processing; allow for large-scale, flexible devices; and can have the added benefits of being transparent or biodegradable. In this manuscript, we examine the role of solvents in the performance of pentacene-based devices using the ferroelectric copolymer polyvinylidene fluoride-trifluoroethylene (PVDF-TrFe) as a gate insulating layer. High dipole moment solvents, such as dimethyl sulfoxide, used to dissolve the copolymer for spincoating increase the charge carrier mobility in field-effect transistors (FETs) by nearly an order of magnitude as compared to lower dipole moment solvents. The polarization in Al/PVDF-TrFe/Au metal-ferroelectric-metal devices also shows an increase in remnant polarization of 20% in the sample using dimethyl sulfoxide as the solvent for the ferroelectric. Interestingly, at low applied electric fields of 100 MV/m a remnant polarization is seen in the high dipole moment device that is nearly 3.5 times larger than the value observed in the lower dipole moment samples, suggesting that the degree of dipolar order is higher at low operating voltages for the high dipole moment device. We will also discuss the use of peptide-based nanostructures derived from natural amino acids as building blocks for biocompatible devices. These peptides can be used in a bottom-up process without the need for expensive lithography. Thin films of L,L-diphenylalanine micro/nanostructures (FF-MNSs) were used as the dielectric layer in pentacene-based FETs and metal-insulator-semiconductor diodes both in bottom-gate and top-gate structures. It is demonstrated that the FFMNSs can be functionalized for detection of enzyme-analyte interactions. This work opens up a novel and facile route towards scalable organic electronics using peptide nanostructures as scaffolding and as a platform for biosensing.

Theory of the polarization of highly charged ions in storage rings: Production, preservation, observation and application to the search for a violation of the fundamental symmetries

NASA Astrophysics Data System (ADS)

Bondarevskaya, A.; Prozorov, A.; Labzowsky, L.; Plunien, G.; Liesen, D.; Bosch, F.

2011-10-01

Theoretical concepts for the production, preservation and control of polarized highly charged ion beams in storage rings are investigated. It is argued that hydrogen-like ions can be polarized efficiently by optical pumping of the Zeeman sublevels of ground state hyperfine levels and that the maximum achievable nuclear polarization exceeds 90%. In order to study the preservation of the polarization during the ion motion through the magnetic system of the ring, the concept of the instantaneous quantization axis is introduced. It is suggested that the employment of “Siberian snakes” may help to preserve the ion beam polarization in the ring. The control of the beam polarization can be achieved by different methods: by measuring the Stokes parameters for the emitted photons or by observing the angular dependence of the transition rates for polarized ions. The important motivation for the production of polarized ion beams is the possibility to observe parity nonconservation effects in the hyperfine-quenched transitions in helium-like highly charged ions, where these effects can reach an unprecedented high value for atomic physics. The possible observation of parity nonconservation effects connected with the nuclear anapole moment is also discussed. A method for the observation of the electric dipole moment of an electron in a storage ring with a polarized highly charged ion beam is proposed. This method allows, in principle, to improve the existing boundaries for the electric dipole moment of an electron. However, the requirements of the corresponding experiment are very stringent.

Production of spin-polarized radioactive ion beams via projectile fragmentation reaction

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

Kameda, D.; Ueno, H.; Yoshimi, A.

2008-02-06

Spin-polarized radioactive ion beams are produced in the projectile fragmentation reaction induced by intermediate-energy heavy ion beams. The degree of spin polarization shows characteristic dependence on the outgoing momentum of the projectile fragment in the magnitude around 1{approx}10%. The qualitative behavior is well described by the kinematical model of the fragmentation process. Recently, we have successfully produced spin-polarized beams of aluminum isotopes in the mass A{approx}30 region via the fragmentation of 95 MeV/u {sup 40}Ar projectiles. The magnetic moments of {sup 30}Al and {sup 32}Al and the electric quadrupole moments of {sup 31}Al and {sup 32}Al have been measured usingmore » the {beta}-NMR technique with the polarized RI beams of the Al isotopes.« less

A multi-ion generalized transport model of the polar wind

NASA Technical Reports Server (NTRS)

Demars, H. G.; Schunk, R. W.

1994-01-01

The higher-order generalizations of the equations of standard hydrodynamics, known collectively as generalized transport theories, have been used since the early 1980s to describe the terrestrial polar wind. Inherent in the structure of generalized transport theories is the ability to describe not only interparticle collisions but also certain non-Maxwellian processes, such as heat flow and viscous stress, that are characteristic of any plasma flow that is not collision dominated. Because the polar wind exhibits a transition from collision-dominated to collisionless flow, generalized transport theories possess advantages for polar wind modeling not shared by either collision-dominated models (such as standard hydrodynamics) or collisionless models (such as those based on solving the collisionless Boltzmann equation). In general, previous polar wind models have used generalized transport equations to describe electrons and only one species of ion (H(+)). If other ion species were included in the models at all, it was in a simplified or semiempirical manner. The model described in this paper is the first polar wind model that uses a generalized transport theory (bi-Maxwellian-based 16-moment theory) to describe all of the species, both major and minor, in the polar wind plasma. In the model, electrons and three ion species (H(+), He(+), O(+)) are assumed to be major and several ion species are assumed to be minor (NO(+), Fe(+), O(++)). For all species, a complete 16-moment transport formulation is used, so that profiles of density, drift velocity, parallel and perpendicular temperatures, and the field-aligned parallel and perpendicular energy flows are obtained. In the results presented here, emphasis is placed on describing those constituents of the polar wind that have received little attention in past studies. In particular, characteristic solutions are presented for supersonic H(+) outflow and for both supersonic and subsonic outflows of the major ion He(+). Solutions are also presented for various minor ions, both atomic and molecular and both singly and multiply charged.

Single spin asymmetries in charged kaon production from semi-inclusive deep inelastic scattering on a transversely polarized He 3 target

DOE PAGES

Zhao, Y. X.; Wang, Y.; Allada, K.; ...

2014-11-03

We report the first measurement of target single spin asymmetries of charged kaons produced in semi-inclusive deep inelastic scattering of electrons off a transversely polarized 3He target. Both the Collins and Sivers moments, which are related to the nucleon transversity and Sivers distributions, respectively, are extracted over the kinematic range of 0.1 < x bj<0.4 for K + and K – production. While the Collins and Sivers moments for K + are consistent with zero within the experimental uncertainties, both moments for K – favor negative values. The Sivers moments are compared to the theoretical prediction from a phenomenological fitmore » to the world data. While the K + Sivers moments are consistent with the prediction, the K – results differ from the prediction at the 2-sigma level.« less

Oriented Polar Molecules in a Solid Inert-Gas Matrix: A Proposed Method for Measuring the Electric Dipole Moment of the Electron

NASA Astrophysics Data System (ADS)

Vutha, A.; Horbatsch, M.; Hessels, E.

2018-01-01

We propose a very sensitive method for measuring the electric dipole moment of the electron using polar molecules embedded in a cryogenic solid matrix of inert-gas atoms. The polar molecules can be oriented in the $\\hat{\\rm{z}}$ direction by an applied electric field, as has recently been demonstrated by Park, et al. [Angewandte Chemie {\\bf 129}, 1066 (2017)]. The trapped molecules are prepared into a state which has its electron spin perpendicular to $\\hat{\\rm{z}}$, and a magnetic field along $\\hat{\\rm{z}}$ causes precession of this spin. An electron electric dipole moment $d_e$ would affect this precession due to the up to 100~GV/cm effective electric field produced by the polar molecule. The large number of polar molecules that can be embedded in a matrix, along with the expected long coherence times for the precession, allows for the possibility of measuring $d_e$ to an accuracy that surpasses current measurements by many orders of magnitude. Because the matrix can inhibit molecular rotations and lock the orientation of the polar molecules, it may not be necessary to have an electric field present during the precession. The proposed technique can be applied using a variety of polar molecules and inert gases, which, along with other experimental variables, should allow for careful study of systematic uncertainties in the measurement.

Beyond Point Charges: Dynamic Polarization from Neural Net Predicted Multipole Moments.

PubMed

Darley, Michael G; Handley, Chris M; Popelier, Paul L A

2008-09-09

Intramolecular polarization is the change to the electron density of a given atom upon variation in the positions of the neighboring atoms. We express the electron density in terms of multipole moments. Using glycine and N-methylacetamide (NMA) as pilot systems, we show that neural networks can capture the change in electron density due to polarization. After training, modestly sized neural networks successfully predict the atomic multipole moments from the nuclear positions of all atoms in the molecule. Accurate electrostatic energies between two atoms can be then obtained via a multipole expansion, inclusive of polarization effects. As a result polarization is successfully modeled at short-range and without an explicit polarizability tensor. This approach puts charge transfer and multipolar polarization on a common footing. The polarization procedure is formulated within the context of quantum chemical topology (QCT). Nonbonded atom-atom interactions in glycine cover an energy range of 948 kJ mol(-1), with an average energy difference between true and predicted energy of 0.2 kJ mol(-1), the largest difference being just under 1 kJ mol(-1). Very similar energy differences are found for NMA, which spans a range of 281 kJ mol(-1). The current proof-of-concept enables the construction of a new protein force field that incorporates electron density fragments that dynamically respond to their fluctuating environment.

Resonance line polarization and the Hanle effect in optically thick media. I - Formulation for the two-level atom

NASA Astrophysics Data System (ADS)

Landi Degl'Innocenti, E.; Bommier, V.; Sahal-Brechot, S.

1990-08-01

A general formalism is presented to describe resonance line polarization for a two-level atom in an optically thick, three-dimensional medium embedded in an arbitrary varying magnetic field and irradiated by an arbitrary radiation field. The magnetic field is supposed sufficiently small to induce a Zeeman splitting much smaller than the typical line width. By neglecting atomic polarization in the lower level and stimulated emission, an integral equation is derived for the multipole moments of the density matrix of the upper level. This equation shows how the multipole moments at any assigned point of the medium are coupled to the multipole moments relative at a different point as a consequence of the propagation of polarized radiation between the two points. The equation also accounts for the effect of the magnetic field, described by a kernel locally connecting multipole moments of the same rank, and for the role of inelastic and elastic (or depolarizing) collisions. After having given its formal derivation for the general case, the integral equation is particularized to the one-dimensional and two-dimensional cases. For the one-dimensional case of a plane parallel atmosphere, neglecting both the magnetic field and depolarizing collisions, the equation here derived reduces to a previous one given by Rees (1978).

Explicit symplectic orbit and spin tracking method for electric storage ring

DOE PAGES

Hwang, Kilean; Lee, S. Y.

2016-08-18

We develop a symplectic charged particle tracking method for phase space coordinates and polarization in all electric storage rings. Near the magic energy, the spin precession tune is proportional to the fractional momentum deviation δ m from the magic energy, and the amplitude of the radial and longitudinal spin precession is proportional to η/δ m, where η is the electric dipole moment for an initially vertically polarized beam. As a result, the method can be used to extract the electron electric dipole moment of a charged particle by employing narrow band frequency analysis of polarization around the magic energy.

Quantitative treatment of the solvent effects on the electronic absorption and fluorescence spectra of acridines and phenazines. The ground and first excited singlet-state dipole moments

NASA Astrophysics Data System (ADS)

Aaron, Jean Jacques; Maafi, Mounir; Párkányi, Cyril; Boniface, Christian

1995-04-01

Electronic absorption and fluorescence excitation and emission spectra of four acridines (acridine, Acridine Yellow, 9-aminoacridine and proflavine) and three phenazines (phenazine, neutral Red and safranine) are determined at room temperature (298 K) in several solvents of various polarities (dioxane, chloroform, ethyl ether, ethyl acetate, 1-butanol, 2-propanol, ethanol, methanol, dimethylformamide, acetonitrile and dimethyl sulfoxide). The effect of the solvent upon the spectral characteristics of the above compounds, is studied. In combination with the ground-state dipole moments of these compounds, the spectral data are used to evaluate their first excited singlet-state dipole moments by means of the solvatochromic shift method (Bakhshiev's and Kawski-Chamma-Viallet's correlations). The theoretical ground and excited singlet-state dipole moments for acridines and phenazines are also calculated as a vector sum of the π-component (obtained by the PPP method) and the σ-component (obtained from σ-bond moments). For most acridines and phenazines under study, the experimental excited singlet-state dipole moments are found to be higher than their ground state counterpart. The application of the Kamlet-Abboud-Taft solvatochromic parameters to the solvent effect on spectral properties of acridine and phenazine derivatives is discussed.

A quantized microwave quadrupole insulator with topologically protected corner states

NASA Astrophysics Data System (ADS)

Peterson, Christopher W.; Benalcazar, Wladimir A.; Hughes, Taylor L.; Bahl, Gaurav

2018-03-01

The theory of electric polarization in crystals defines the dipole moment of an insulator in terms of a Berry phase (geometric phase) associated with its electronic ground state. This concept not only solves the long-standing puzzle of how to calculate dipole moments in crystals, but also explains topological band structures in insulators and superconductors, including the quantum anomalous Hall insulator and the quantum spin Hall insulator, as well as quantized adiabatic pumping processes. A recent theoretical study has extended the Berry phase framework to also account for higher electric multipole moments, revealing the existence of higher-order topological phases that have not previously been observed. Here we demonstrate experimentally a member of this predicted class of materials—a quantized quadrupole topological insulator—produced using a gigahertz-frequency reconfigurable microwave circuit. We confirm the non-trivial topological phase using spectroscopic measurements and by identifying corner states that result from the bulk topology. In addition, we test the critical prediction that these corner states are protected by the topology of the bulk, and are not due to surface artefacts, by deforming the edges of the crystal lattice from the topological to the trivial regime. Our results provide conclusive evidence of a unique form of robustness against disorder and deformation, which is characteristic of higher-order topological insulators.

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.

Experimental and theoretical investigation of the molecular, electronic structure and solvatochromism of phenyl salicylate: External electric field effect on the electronic structure

NASA Astrophysics Data System (ADS)

Sıdır, İsa; Sıdır, Yadigar Gülseven

2017-11-01

The UV-vis absorption and steady state fluorescence spectra of phenyl salicylate (abbreviated as PS) have been recorded in a series of non-polar, polar protic and polar aprotic solvents at room temperature and the obtained spectral data are used to determine the solvatochromic behavior and the ground and excited state dipole moments. Basis set sensitive molecular structure along with X-ray crystal data are evaluated. The ground state and excited state dipole moments are determined by using Lippert-Mataga, Bakhshiev, Bilot-Kawski and Reichardt solvatochromic shift methods as a function of dielectric constant (ε) and refractive index (n) of the solvents. The larger excited state dipole moment value indicates the more polar PS in the excited state. The rate of μe/μg is found as 2.4239. Solvatochromic behavior of PS is enlightened by using Kamlet-Taft and Catalan models. Kamlet-Taft solvatochromic model indicates that non-specific solute solvent interactions are controlled by solvent dispersion-induction forces and specific interactions are directed by hydrogen-bond donor capacity of solvent. Catalan solvatochromic model designates that solute-solvent interactions are governed by solvent polarizability. Ground and excited state dipole moments are found theoretically by using DFT/B3LYP/6-311++G(d, p) and TDDFT/B3LYP/6-31++G(d, p) methods. External electric field effect on LUMO-HOMO band gap and dipole moment have been investigated by using B3LYP/6-311++G(d, p) method.

Polarized excitons and optical activity in single-wall carbon nanotubes

NASA Astrophysics Data System (ADS)

Chang, Yao-Wen; Jin, Bih-Yaw

2018-05-01

The polarized excitons and optical activity of single-wall carbon nanotubes (SWNTs) are studied theoretically by π -electron Hamiltonian and helical-rotational symmetry. By taking advantage of the symmetrization, the single-particle energy and properties of a SWNT are characterized with the corresponding helical band structure. The dipole-moment matrix elements, magnetic-moment matrix elements, and the selection rules can also be derived. Based on different selection rules, the optical transitions can be assigned as the parallel-polarized, left-handed circularly-polarized, and right-handed circularly-polarized transitions, where the combination of the last two gives the cross-polarized transition. The absorption and circular dichroism (CD) spectra are simulated by exciton calculation. The calculated results are well comparable with the reported measurements. Built on the foundation, magnetic-field effects on the polarized excitons and optical activity of SWNTs are studied. Dark-bright exciton splitting and interband Faraday effect in the CD spectrum of SWNTs under an axial magnetic field are predicted. The Faraday rotation dispersion can be analyzed according to the selection rules of circular polarizations and the helical band structure.

Calculation of the Hadronic Vacuum Polarization Disconnected Contribution to the Muon Anomalous Magnetic Moment

NASA Astrophysics Data System (ADS)

Blum, T.; Boyle, P. A.; Izubuchi, T.; Jin, L.; Jüttner, A.; Lehner, C.; Maltman, K.; Marinkovic, M.; Portelli, A.; Spraggs, M.; Rbc; Ukqcd Collaborations

2016-06-01

We report the first lattice QCD calculation of the hadronic vacuum polarization (HVP) disconnected contribution to the muon anomalous magnetic moment at physical pion mass. The calculation uses a refined noise-reduction technique that enables the control of statistical uncertainties at the desired level with modest computational effort. Measurements were performed on the 483×96 physical-pion-mass lattice generated by the RBC and UKQCD Collaborations. We find the leading-order hadronic vacuum polarization aμHVP (LO )disc=-9.6 (3.3 )(2.3 )×10-10 , where the first error is statistical and the second systematic.

Calculation of the Hadronic Vacuum Polarization Disconnected Contribution to the Muon Anomalous Magnetic Moment.

PubMed

Blum, T; Boyle, P A; Izubuchi, T; Jin, L; Jüttner, A; Lehner, C; Maltman, K; Marinkovic, M; Portelli, A; Spraggs, M

2016-06-10

We report the first lattice QCD calculation of the hadronic vacuum polarization (HVP) disconnected contribution to the muon anomalous magnetic moment at physical pion mass. The calculation uses a refined noise-reduction technique that enables the control of statistical uncertainties at the desired level with modest computational effort. Measurements were performed on the 48^{3}×96 physical-pion-mass lattice generated by the RBC and UKQCD Collaborations. We find the leading-order hadronic vacuum polarization a_{μ}^{HVP(LO)disc}=-9.6(3.3)(2.3)×10^{-10}, where the first error is statistical and the second systematic.

Magnetic behaviour of synthetic Co(2)SiO(4).

PubMed

Sazonov, Andrew; Meven, Martin; Hutanu, Vladimir; Heger, Gernot; Hansen, Thomas; Gukasov, Arsen

2009-12-01

Synthetic Co(2)SiO(4) crystallizes in the olivine structure (space group Pnma) with two crystallographically non-equivalent Co positions and shows antiferromagnetic ordering below 50 K. We have investigated the temperature variation of the Co(2)SiO(4) magnetic structure by means of non-polarized and polarized neutron diffraction for single crystals. Measurements with non-polarized neutrons were made at 2.5 K (below T(N)), whereas polarized neutron diffraction experiments were carried out at 70 and 150 K (above T(N)) in an external magnetic field of 7 T parallel to the b axis. Additional accurate non-polarized powder diffraction studies were performed in a broad temperature range from 5 to 500 K with small temperature increments. Detailed symmetry analysis of the Co(2)SiO(4) magnetic structure shows that it corresponds to the magnetic (Shubnikov) group Pnma, which allows the antiferromagnetic configuration (G(x), C(y), A(z)) for the 4a site with inversion symmetry 1 (Co1 position) and (0,C(y),0) for the 4c site with mirror symmetry m (Co2 position). The temperature dependence of the Co1 and Co2 magnetic moments obtained from neutron diffraction experiments was fitted in a modified molecular-field model. The polarized neutron study of the magnetization induced by an applied field shows a non-negligible amount of magnetic moment on the oxygen positions, indicating a delocalization of the magnetic moment from Co towards neighbouring O owing to superexchange coupling. The relative strength of the exchange interactions is discussed based on the non-polarized and polarized neutron data.

Polarized neutron scattering study of the multiple order parameter system NdB 4 [Polarized neutron scattering study on multiple order parameter system NdB 4

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

Metoki, Naoto; Yamauchi, Hiroki; Matsuda, Masaaki

Neutron polarization analysis has been carried out in order to clarify the magnetic structures of multiple order parameter f-electron system NdB 4. We confirmed the noncollinear “all-in all-out” structure (Γ 4) of the in-plane moment, which is in good agreement with our previous neutron powder diffraction study. We found that the magnetic moment along the c-axis m c showed diagonally antiferromagnetic structure (Γ 10), inconsistent with previously reported “vortex” structure (Γ 2). The microscopic mixture of these two structures with →q 0=(0,0,0) appears in phase II and remains stable in phases III and IV, where an incommensurate modulation coexists. Themore » unusual magnetic ordering is phenomenologically understood via Landau theory with the primary order parameter Γ 4 coupled with higher-order secondary order parameter Γ 10. The magnetic moments were estimated to be 1.8 ± 0.2 and 0.2 ± 0.05μ B at T = 7.5K for Γ 4 and Γ 10, respectively. We also found a long-period incommensurate modulation of the →q 1=(0,0,1/2) antiferromagnetic structure of mc with the propagation →q s1=(0.14,0.14,0.1) and →q s2=(0.2,0,0.1) in phase III and IV, respectively. The amplitude of sinusoidal modulation was about m c=1.0 ± 0.2μ B at T=1.5 K. The local (0,0,1/2) structure consists of in-plane ferromagnetic and out-of-plane antiferromagnetic coupling of m c, opposite to the coexisting Γ 10. The mc of Γ 10 is significantly enhanced up to 0.6μ B at T=1.5 K, which is accompanied by the incommensurate modulations. As a result, the Landau phenomenological approach indicates that the higher-order magnetic and/or multipole interactions based on the pseudoquartet f-electron state play important roles.« less

Polarized neutron scattering study of the multiple order parameter system NdB 4 [Polarized neutron scattering study on multiple order parameter system NdB 4

DOE PAGES

Metoki, Naoto; Yamauchi, Hiroki; Matsuda, Masaaki; ...

2018-05-17

Neutron polarization analysis has been carried out in order to clarify the magnetic structures of multiple order parameter f-electron system NdB 4. We confirmed the noncollinear “all-in all-out” structure (Γ 4) of the in-plane moment, which is in good agreement with our previous neutron powder diffraction study. We found that the magnetic moment along the c-axis m c showed diagonally antiferromagnetic structure (Γ 10), inconsistent with previously reported “vortex” structure (Γ 2). The microscopic mixture of these two structures with →q 0=(0,0,0) appears in phase II and remains stable in phases III and IV, where an incommensurate modulation coexists. Themore » unusual magnetic ordering is phenomenologically understood via Landau theory with the primary order parameter Γ 4 coupled with higher-order secondary order parameter Γ 10. The magnetic moments were estimated to be 1.8 ± 0.2 and 0.2 ± 0.05μ B at T = 7.5K for Γ 4 and Γ 10, respectively. We also found a long-period incommensurate modulation of the →q 1=(0,0,1/2) antiferromagnetic structure of mc with the propagation →q s1=(0.14,0.14,0.1) and →q s2=(0.2,0,0.1) in phase III and IV, respectively. The amplitude of sinusoidal modulation was about m c=1.0 ± 0.2μ B at T=1.5 K. The local (0,0,1/2) structure consists of in-plane ferromagnetic and out-of-plane antiferromagnetic coupling of m c, opposite to the coexisting Γ 10. The mc of Γ 10 is significantly enhanced up to 0.6μ B at T=1.5 K, which is accompanied by the incommensurate modulations. As a result, the Landau phenomenological approach indicates that the higher-order magnetic and/or multipole interactions based on the pseudoquartet f-electron state play important roles.« less

Production of Spin Polarized 58Cu and its Magnetic Moment

NASA Astrophysics Data System (ADS)

Mihara, Mototsugu; Ishibashi, Yoko; Abe, Yasushi; Kamisho, Yasuto; Morita, Yusuke; Ohno, Junichi; Tanaka, Masaomi; Shinozaki, Shinichi; Kanbe, Ryosuke; Fukuda, Mitsunori; Matsuta, Kensaku; Ozawa, Akira; Nagae, Daisuke; Inaba, Seiki; Okada, Shunsuke; Saito, Yuta; Ueno, Hideki; Yamada, Kazunari; Izumikawa, Takuji; Ohtsubo, Takashi; Momota, Sadao; Nishimura, Daiki; Suzuki, Takeshi; Yamaguchi, Takayuki; Kobayashi, Yoshio; Imamura, Kei; Yang, Xiaofei; Nagatomo, Takashi; Minamisono, Tadanori; Takechi, Maya; Ogura, Masako; Matsukawa, Kazuhito; Shirai, Koun; Fujimura, Takumi

Spin polarization of short-lived β emitter 58Cu was generated through the charge exchange reaction of 58Ni on a Be target at 63 MeV/u and the β-NQR spectrum of 58Cu in Si was measured at 15 K. As a result, the 58Cu magnetic dipole moment μ [58Cu] was determined to be | μ [{}58Cu] | = (0.58 ± 0.01)μ N, which is in agreement with the recent result using collinear laser spectroscopy.

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.

Calculation of the Hadronic Vacuum Polarization Disconnected Contribution to the Muon Anomalous Magnetic Moment

DOE PAGES

Blum, T.; Boyle, P. A.; Izubuchi, T.; ...

2016-06-08

Here we report the first lattice QCD calculation of the hadronic vacuum polarization (HVP) disconnected contribution to the muon anomalous magnetic moment at physical pion mass. The calculation uses a refined noise-reduction technique that enables the control of statistical uncertainties at the desired level with modest computational effort. Measurements were performed on the 48 3×96 physical-pion-mass lattice generated by the RBC and UKQCD Collaborations. In conclusion, we find the leading-order hadronic vacuum polarization amore » $$HVP(LO)disc\\atop{μ}$$=-9.6(3.3)(2.3)×10 -10, where the first error is statistical and the second systematic.« less

Magnetic and magnetoelectric properties of NdCrTiO5 revealed by systematically rare-earth doping

NASA Astrophysics Data System (ADS)

Li, Qing; Feng, Zhenjie; Cheng, Cheng; Wang, Bojie; Chu, Hao; Huang, Ping; Wang, Difei; Qian, Xiaolong; Yu, Chuan; Wang, Guohua; Deng, Dongmei; Jing, Chao; Cao, Shixun; Zhang, Jincang

2018-01-01

We have systematically synthesized polycrystalline samples of Nd0.9A0.1CrTiO5 (A = Pr, Nd, Gd, Dy, Er, Tm, and Yb), and have investigated their crystal structure, polarization and magnetic susceptibility. The polarization values of doped samples are suppressed comparing to pure NdCrTiO5 sample, which indicates that the polarization is highly dependence with the magnetic moments of doping ions. The TN of Cr-Cr in Nd0.9A0.1CrTiO5 are dominated by both the suppression effect caused by doped magnetic moment increment and the enhancement effect caused by c axis contracting. We conclude that the magnetic moments in the rare-earth Nd sites play an important role in the magnetoelectric effect in NdCrTiO5 family. The substitution effect discussion here can help us well understand the intrinsic mechanism and provide a possible guidance in exploring new magnetoelectric coupling systems.

The Determination of the Muon Magnetic Moment from Cosmic Rays

ERIC Educational Resources Information Center

Amsler, C.

1974-01-01

Describes an experiment suited for use in an advanced laboratory course in particle physics. The magnetic moment of cosmic ray muons which have some polarization is determined with an error of about five percent. (Author/GS)

Mercury monohalides: suitability for electron electric dipole moment searches.

PubMed

Prasannaa, V S; Vutha, A C; Abe, M; Das, B P

2015-05-08

Heavy polar diatomic molecules are the primary tools for searching for the T-violating permanent electric dipole moment of the electron (eEDM). Valence electrons in some molecules experience extremely large effective electric fields due to relativistic interactions. These large effective electric fields are crucial to the success of polar-molecule-based eEDM search experiments. Here we report on the results of relativistic ab initio calculations of the effective electric fields in a series of molecules that are highly sensitive to an eEDM, the mercury monohalides (HgF, HgCl, HgBr, and HgI). We study the influence of the halide anions on E_{eff}, and identify HgBr and HgI as attractive candidates for future electric dipole moment search experiments.

Quantitative characterization of non-classic polarization of cations on clay aggregate stability.

PubMed

Hu, Feinan; Li, Hang; Liu, Xinmin; Li, Song; Ding, Wuquan; Xu, Chenyang; Li, Yue; Zhu, Longhui

2015-01-01

Soil particle interactions are strongly influenced by the concentration, valence and ion species and the pH of the bulk solution, which will also affect aggregate stability and particle transport. In this study, we investigated clay aggregate stability in the presence of different alkali ions (Li+, Na+, K+, and Cs+) at concentrations from10-5 to 10-1 mol L-1. Strong specific ion effects on clay aggregate stability were observed, and showed the order Cs+>K+>Na+>Li+. We found that it was not the effects of ion size, hydration, and dispersion forces in the cation-surface interactions but strong non-classic polarization of adsorbed cations that resulted in these specific effects. In this study, the non-classic dipole moments of each cation species resulting from the non-classic polarization were estimated. By comparing non-classic dipole moments with classic values, the observed dipole moments of adsorbed cations were up to 104 times larger than the classic values for the same cation. The observed non-classic dipole moments sharply increased with decreasing electrolyte concentration. We conclude that strong non-classic polarization could significantly suppress the thickness of the diffuse layer, thereby weakening the electric field near the clay surface and resulting in improved clay aggregate stability. Even though we only demonstrated specific ion effects on aggregate stability with several alkali ions, our results indicate that these effects could be universally important in soil aggregate stability.

Quantitative Characterization of Non-Classic Polarization of Cations on Clay Aggregate Stability

PubMed Central

Hu, Feinan; Li, Hang; Liu, Xinmin; Li, Song; Ding, Wuquan; Xu, Chenyang; Li, Yue; Zhu, Longhui

2015-01-01

Soil particle interactions are strongly influenced by the concentration, valence and ion species and the pH of the bulk solution, which will also affect aggregate stability and particle transport. In this study, we investigated clay aggregate stability in the presence of different alkali ions (Li+, Na+, K+, and Cs+) at concentrations from10−5 to 10−1 mol L−1. Strong specific ion effects on clay aggregate stability were observed, and showed the order Cs+>K+>Na+>Li+. We found that it was not the effects of ion size, hydration, and dispersion forces in the cation–surface interactions but strong non-classic polarization of adsorbed cations that resulted in these specific effects. In this study, the non-classic dipole moments of each cation species resulting from the non-classic polarization were estimated. By comparing non-classic dipole moments with classic values, the observed dipole moments of adsorbed cations were up to 104 times larger than the classic values for the same cation. The observed non-classic dipole moments sharply increased with decreasing electrolyte concentration. We conclude that strong non-classic polarization could significantly suppress the thickness of the diffuse layer, thereby weakening the electric field near the clay surface and resulting in improved clay aggregate stability. Even though we only demonstrated specific ion effects on aggregate stability with several alkali ions, our results indicate that these effects could be universally important in soil aggregate stability. PMID:25874864

Gyrofluid turbulence models with kinetic effects

NASA Astrophysics Data System (ADS)

Dorland, W.; Hammett, G. W.

1993-03-01

Nonlinear gyrofluid equations are derived by taking moments of the nonlinear, electrostatic gyrokinetic equation. The principal model presented includes evolution equations for the guiding center n, u∥, T∥, and T⊥ along with an equation expressing the quasineutrality constraint. Additional evolution equations for higher moments are derived that may be used if greater accuracy is desired. The moment hierarchy is closed with a Landau damping model [G. W. Hammett and F. W. Perkins, Phys. Rev. Lett. 64, 3019 (1990)], which is equivalent to a multipole approximation to the plasma dispersion function, extended to include finite Larmor radius effects (FLR). In particular, new dissipative, nonlinear terms are found that model the perpendicular phase mixing of the distribution function along contours of constant electrostatic potential. These ``FLR phase-mixing'' terms introduce a hyperviscositylike damping ∝k⊥2‖Φkk×k'‖, which should provide a physics-based damping mechanism at high k⊥ρ which is potentially as important as the usual polarization drift nonlinearity. The moments are taken in guiding center space to pick up the correct nonlinear FLR terms and the gyroaveraging of the shear. The equations are solved with a nonlinear, three-dimensional initial value code. Linear results are presented, showing excellent agreement with linear gyrokinetic theory.

Polarization-dependent Rabi oscillations in single InGaAs quantum dots

NASA Astrophysics Data System (ADS)

Besombes, L.; Baumberg, J. J.; Motohisa, J.

2004-04-01

Measurements of optical Rabi oscillations in the excited states of individual InGaAs are presented. Under pulsed resonant excitation we observe Rabi oscillations with increasing pulse area, which are damped after the first maximum and minimum. We show that the observed damping comes from an additional non-resonant generation of carriers in the quantum dot. The observation of Rabi oscillations provides an efficient way of directly measuring the excitonic transitions' dipole moments. A polarization anisotropy of the dipole moment is resolved in some of the quantum dots.

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

Orenstein, Joseph W

Rotation of the plane of polarization of reflected light (Kerr effect) is a direct manifestation of broken time reversal symmetry and is generally associated with the appearance of a ferromagnetic moment. Here I identify magnetic structures that may arise within the unit cell of cuprate superconductors that generate polarization rotation despite the absence of a net moment. For these magnetic symmetries the Kerr effect is mediated by magnetoelectric coupling, which can arise when antiferromagnetic order breaks inversion symmetry. The structures identifed are candidates for a time-reversal breaking phase in the pseudogap regime of the cuprates.

Magnetic moment enhancement and spin polarization switch of the manganese phthalocyanine molecule on an IrMn(100) surface

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

Sun, X.; National Institute for Materials Science, 1-2-1 Sengen, Tsukuba 305-0047; Wang, B.

2014-07-21

The geometric, electronic, and magnetic structures of a manganese phthalocyanine (MnPc) molecule on an antiferromagnetic IrMn(100) surface are studied by density functional theory calculations. Two kinds of orientation of the adsorbed MnPc molecule are predicted to coexist due to molecular self-assembly on the surface—a top-site geometry with the Mn–N bonds aligned along the 〈100〉 direction, and a hollow-site orientation in which the Mn–N bonds are parallel to the 〈110〉 direction. The MnPc molecule is antiferromagnetically coupled to the substrate at the top site with a slight reduction in the magnetic moment of the Mn atom of the MnPc molecule (Mn{submore » mol}). In contrast, the magnetic moment of the Mn{sub mol} is enhanced to 4.28 μB at the hollow site, a value larger than that in the free MnPc molecule (3.51 μB). Molecular distortion induced by adsorption is revealed to be responsible for the enhancement of the magnetic moment. Furthermore, the spin polarization of the Mn{sub mol} atom at around the Fermi level is found to change from negative to positive through an elongation of the Mn–N bonds of the MnPc. We propose that a reversible switch of the low/high magnetic moment and negative/positive spin polarization might be realized through some mechanical engineering methods.« less

Electric control of magnon frequencies and magnetic moment of bismuth ferrite thin films at room temperature.

PubMed

Kumar, Ashok; Scott, J F; Katiyar, R S

2011-08-08

Here, we report the tuning of room-temperature magnon frequencies from 473 GHz to 402 GHz (14%) and magnetic moment from 4 to 18 emu∕cm(3) at 100 Oe under the application of external electric fields (E) across interdigital electrodes in BiFeO(3) (BFO) thin films. A decrease in magnon frequencies and increase in phonon frequencies were observed with Magnon and phonon Raman intensities are asymmetric with polarity, decreasing with positive E (+E) and increasing with negative E (-E) where polarity is with respect to in-plane polarization P. The magnetoelectric coupling (α) is proved to be linear and a rather isotropic α = 8.5 × 10(-12) sm(-1).

Determination of anisotropic dipole moments in self-assembled quantum dots using Rabi oscillations

NASA Astrophysics Data System (ADS)

Muller, A.; Wang, Q. Q.; Bianucci, P.; Shih, C. K.; Xue, Q. K.

2004-02-01

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.

Dipolar ordering and glassy freezing in methanol-{beta}-hydroquinone-clathrate

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

Woll, H.; Rheinstadter, M. C.; Kruchten, F.

2001-06-01

The dielectric, structural, and thermodynamic properties of single crystals of methanol-{beta}-hydroquinone-clathrates have been studied as function of temperature and of the concentration x of the polar guest molecules. At higher temperatures the dielectric response along the threefold crystal axis is of the quasi-one-dimensional Ising type. At lower temperatures the higher concentrated samples order antiferroelectrically whereas the lower concentrated ones freeze into dipole glasses. The behavior is interpreted in terms of the methanol dipole moments coupled by the electric dipole-dipole interaction which is highly frustrated because of the rhombohedral symmetry of the lattice. The dielectric relaxations have been analyzed.

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.

Specific interactions of alcohols and non-alcohols with a biologically active boronic acid derivative: a spectroscopic study.

PubMed

Geethanjali, H S; Melavanki, R M; Nagaraja, D; Patil, N R; Thipperudrappa, J; Kusanur, R A

2016-08-01

The photophysical properties of 4-fluoro-2-methoxyphenyl boronic acid (4FMPBA) are characterized using absorption and fluorescence techniques in series of non-alcohols and alcohols. The results are analyzed using different solvent polarity functions and Kamlet and Catalan's multiple regression approaches. The excited state dipole moment and change in dipole moment are calculated using both the solvatochromic shift method and Reichardt's microscopic solvent polarity parameter ETN. The ground state dipole moment is evaluated using quantum chemical calculations. It is found that general solute-solvent and hydrogen bond interactions are operative in this system. A red shift of ~ 9 nm in the emission spectra is observed with an increase in the solvent polarity, which depicts π→π(*) transitions, as well as the possibility of an intramolecular charge transfer (ICT) character in the emitting singlet state of 4FMPBA. The relative quantum yield, radiative and non-radiative decay constants are calculated in alkanes and alcohols using the single point method. It is found that the quantum yield of the molecule varies from 16.81% to 50.79% with the change in solvent polarity, indicating the dependence of fluorescence on the solvent environment. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Spin Exchange Optical Pumping of 129Xe for the Neutron Electron Dipole Moment Experiment at TRIUMF

NASA Astrophysics Data System (ADS)

Miller, Eric; Hayamizu, Tomohiro; Wienands, Joshua; Altiere, Emily; Jones, David; Madison, Kirk; Momose, Takamasa; Lang, Michael; Bidinosti, Chris; Martin, Jeffery

2016-09-01

Spin polarized noble gases have been a field of study for several decades and are of particular interest with respect to magnetic sensing. Using the Spin Exchange Optical Pumping technique, one can use the angular momentum of circularly polarized NIR photons to spin polarize Rb atoms, which then collide with Xe to polarize the ground state Zeeman sublevels of Xe many orders of magnitude above typical thermal Boltzmann distributions. The resulting polarized gas, with its magnetic dipole moment, is a useful probe of magnetic fields. We plan to use two spin polarized species, 129Xe and 199Hg, as dual co-magnetometers for the neutron EDM experiment at TRIUMF. They will be used to correct the neutron precession frequency for drifts due to magnetic field instability and geometric phase effects. For 129Xe, we aim to probe the populations of the ground state Zeeman sublevels using UV two-photon transitions. The respective populations depend on how much polarization we can produce using the SEOP technique. We will present technical details of our apparatus including results from a parameter space search, investigating how mode of preparation (batch or continuous flow), temperature, flow rate, and laser power affect 129Xe polarization as measured by low field NMR.

Antiferromagnetic Spin Coupling between Rare Earth Adatoms and Iron Islands Probed by Spin-Polarized Tunneling

PubMed Central

Coffey, David; Diez-Ferrer, José Luis; Serrate, David; Ciria, Miguel; Fuente, César de la; Arnaudas, José Ignacio

2015-01-01

High-density magnetic storage or quantum computing could be achieved using small magnets with large magnetic anisotropy, a requirement that rare-earth iron alloys fulfill in bulk. This compelling property demands a thorough investigation of the magnetism in low dimensional rare-earth iron structures. Here, we report on the magnetic coupling between 4f single atoms and a 3d magnetic nanoisland. Thulium and lutetium adatoms deposited on iron monolayer islands pseudomorphically grown on W(110) have been investigated at low temperature with scanning tunneling microscopy and spectroscopy. The spin-polarized current indicates that both kind of adatoms have in-plane magnetic moments, which couple antiferromagnetically with their underlying iron islands. Our first-principles calculations explain the observed behavior, predicting an antiparallel coupling of the induced 5d electrons magnetic moment of the lanthanides with the 3d magnetic moment of iron, as well as their in-plane orientation, and pointing to a non-contribution of 4f electrons to the spin-polarized tunneling processes in rare earths. PMID:26333417

Infrared Transition Moment Directions in Smectic Liquid Crystals

NASA Astrophysics Data System (ADS)

Park, C. S.; Jang, W. G.; Coleman, D.; Glaser, M. A.; Clark, N. A.

1997-03-01

We have investigated the variation of absorbance with polarization for C=O, O-H, and phenyl stretch modes in aligned smectic liquid crystals, for IR radiation propagating parallel to the smectic layers. For the C=O stretch, maximum absorbance is generally observed for radiation polarized perpendicular to the layer normal in the smectic A phase, consistent with the assumption that the IR transition moment direction is coincident with the C=O bond (oriented at an angle of ~ 60^circ with respect to the molecular long axis). In certain cases, however, maximum absorbance is observed for incident polarization parallel to the layer normal, and in general observed dichroic ratios depend sensitively on the nature of the functional groups surrounding the carbonyl moiety. Similar chemical sensitivity is observed for the phenyl and O-H stretch modes. We have succeeding in interpreting these measurements by calculating IR transition moment directions for the most important vibrational modes of several model compounds using quantum chemical methods, including HF/6-311G SCF and B3LYP/6-311G and B3LYP/6-31G DFT calculations.

No evidence for orbital loop currents in charge-ordered YBa2Cu3O6 +x from polarized neutron diffraction

NASA Astrophysics Data System (ADS)

Croft, T. P.; Blackburn, E.; Kulda, J.; Liang, Ruixing; Bonn, D. A.; Hardy, W. N.; Hayden, S. M.

2017-12-01

It has been proposed that the pseudogap state of underdoped cuprate superconductors may be due to a transition to a phase which has circulating currents within each unit cell. Here, we use polarized neutron diffraction to search for the corresponding orbital moments in two samples of underdoped YBa2Cu3O6 +x with doping levels p =0.104 and 0.123. In contrast to some other reports using polarized neutrons, but in agreement with nuclear magnetic resonance and muon spin rotation measurements, we find no evidence for the appearance of magnetic order below 300 K. Thus, our experiment suggests that such order is not an intrinsic property of high-quality cuprate superconductor single crystals. Our results provide an upper bound for a possible orbital loop moment which depends on the pattern of currents within the unit cell. For example, for the CC-θI I pattern proposed by Varma, we find that the ordered moment per current loop is less than 0.013 μB for p =0.104 .

True polar wander on convecting planets

NASA Astrophysics Data System (ADS)

Rose, Ian Robert

Rotating planets are most stable when spinning around their maximum moment of inertia, and will tend to reorient themselves to achieve this configuration. Geological activity redistributes mass in the planet, making the moment of inertia a function of time. As the moment of inertia of the planet changes, the spin axis shifts with respect to a mantle reference frame in order to maintain rotational stability. This process is known as true polar wander (TPW). Of the processes that contribute to a planet's moment of inertia, convection in the mantle generates the largest and longest-period fluctuations, with corresponding shifts in the spin axis. True polar wander has been hypothesized to explain several physiographic features on planets and moons in our solar system. On Earth, TPW events have been invoked in some interpretations of paleomagnetic data. Large swings in the spin axis could have enormous ramifications for paleogeography, paleoclimate, and the history of life. Although the existence of TPW is well-verified, it is not known whether its rate and magnitude have been large enough for it to be an important process in Earth history. If true polar wander has been sluggish compared to plate tectonic speeds, then it would be difficult to detect and its consequences would be minor. I investigate rates of true polar wander on convecting planets using scaling, numerics, and inverse problems. I perform a scaling analysis of TPW on a convecting planet, identifying a minimal set of nondimensional parameters which describe the problem. The primary nondimensional numbers that control the rate of TPW are the ratio of centrifugal to gravitational forces m and the Rayleigh number Ra. The parameter m sets the size of a planet's rotational bulge, which determines the amount of work that needs to be done to move the spin axis. The Rayleigh number controls the size, distribution, and rate of change of moment of inertia anomalies, all of which affect the rate of TPW. I find that the characteristic size of moment of inertia anomalies decreases with higher Ra, but that the characteristic response time for TPW also decreases. These two effects approximately cancel. However, the orientation of the principal axes of the moment of inertia becomes less stable to perturbations at high Ra, thereby increasing the rate of TPW. Overall, I find that a more vigorously convecting planet is more likely to experience large TPW events. If early Earth had more vigorous convection, it may have experienced more TPW than present-day Earth. Flow induced by density anomalies in the mantle deflects free surfaces at the surface and the CMB, and the mass anomalies due to these deflections contribute to the moment of inertia. A full accounting of the moment of inertia anomalies must include these surface effects. Numerical models of mantle convection with a free surface have suffered from numerical sloshing instabilities. I analyze the sloshing instability by constructing a generalized eigenvalue problem for the relaxation time spectrum. The minimum relaxation time of the spectrum sets the maximum stable timestep. This analysis gives the first quantitative explanation for why existing techniques for stabilizing geodynamic simulations with a free surface work. I also use this perspective to construct an alternative stabilization scheme based on nonstandard finite differences. This scheme has a single parameter, given by an estimate of the minimum relaxation time, and allows for still larger timesteps. Finally, I develop a new method for analyzing apparent polar wander (APW) paths described by sequences of paleomagnetic poles. Existing techniques, such as spline fits and running means, do not fully account for the uncertainties in the position and timing of paleomagnetic pole paths. Furthermore, they impose regularization on the solution, and the resulting uncertainties are difficult to interpret. Our technique is an extension of paleomagnetic Euler pole (PEP) analysis. I invert for finite Euler pole rotations that can reproduce APW paths within a Bayesian Markov chain Monte Carlo (MCMC) framework. This allows us to naturally include uncertainties in age and position, and provides error estimates on the resulting model parameters. Regularization can be accomplished via physically motivated choices for the parameters' prior probability distributions. I applied the Bayesian PEP technique to the Mesoproterozoic Laurentian APW track, which primarily comes from the Keweenawan Midcontinent Rift. I fit the track with one and two Euler rotations. Both inversions did a good job of reproducing the Keweenawan track, though the two Euler pole inversion has a closer fit. I find that the implied Laurentian plate speeds exceeds 22.9 cm/yr at the 95% confidence level. These speeds are significantly faster than Cenozoic plate speeds, and could be explained by either faster plate speeds in the Proterozoic or a TPW event. (Abstract shortened by ProQuest.).

Progress towards an electron electric dipole moment search in Europium-Barium Titanates

NASA Astrophysics Data System (ADS)

Eckel, Stephen; Sushkov, Alexander; Lamoreaux, Steven

2012-06-01

We report on recent progress on a search for the electron's electric dipole moment (eEDM) using solid- state Eu0.5Ba0.5TiO3. This material has many desirable properties including ferroelectricity below 200 K and paramagnetism above 1.8 K. When the sample has a non-zero electric polarization, the seven unpaired 4f electrons of the Eu^2+ ions in the lattice feel a large effective electric field of order 10 MV/cm in the direction of the polarization. This causes the electron spins to align with the electric polarization and generate a magnetization, which is measured using DC SQUID magnetometers. We will detail measurements of systematic effects along with recent results toward a measurement of the eEDM.

Electric control of magnon frequencies and magnetic moment of bismuth ferrite thin films at room temperature

PubMed Central

Kumar, Ashok; Scott, J. F.; Katiyar, R. S.

2011-01-01

Here, we report the tuning of room-temperature magnon frequencies from 473 GHz to 402 GHz (14%) and magnetic moment from 4 to 18 emu∕cm3 at 100 Oe under the application of external electric fields (E) across interdigital electrodes in BiFeO3 (BFO) thin films. A decrease in magnon frequencies and increase in phonon frequencies were observed with Magnon and phonon Raman intensities are asymmetric with polarity, decreasing with positive E (+E) and increasing with negative E (−E) where polarity is with respect to in-plane polarization P. The magnetoelectric coupling (α) is proved to be linear and a rather isotropic α = 8.5 × 10−12 sm−1. PMID:21901050

Polarized neutron scattering study of the multiple order parameter system NdB4

NASA Astrophysics Data System (ADS)

Metoki, N.; Yamauchi, H.; Matsuda, M.; Fernandez-Baca, J. A.; Watanuki, R.; Hagihala, M.

2018-05-01

Neutron polarization analysis has been carried out in order to clarify the magnetic structures of multiple order parameter f -electron system NdB4. We confirmed the noncollinear "all-in all-out" structure (Γ4) of the in-plane moment, which is in good agreement with our previous neutron powder diffraction study. We found that the magnetic moment along the c -axis mc showed diagonally antiferromagnetic structure (Γ10), inconsistent with previously reported "vortex" structure (Γ2). The microscopic mixture of these two structures with q⃗0=(0 ,0 ,0 ) appears in phase II and remains stable in phases III and IV, where an incommensurate modulation coexists. The unusual magnetic ordering is phenomenologically understood via Landau theory with the primary order parameter Γ4 coupled with higher-order secondary order parameter Γ10. The magnetic moments were estimated to be 1.8 ±0.2 and 0.2 ±0.05 μB at T =7.5 K for Γ4 and Γ10, respectively. We also found a long-period incommensurate modulation of the q⃗1=(0 ,0 ,1 /2 ) antiferromagnetic structure of mc with the propagation q⃗s 1=(0.14 ,0.14 ,0.1 ) and q⃗s 2=(0.2 ,0 ,0.1 ) in phase III and IV, respectively. The amplitude of sinusoidal modulation was about mc=1.0 ±0.2 μB at T =1.5 K. The local (0 ,0 ,1 /2 ) structure consists of in-plane ferromagnetic and out-of-plane antiferromagnetic coupling of mc, opposite to the coexisting Γ10. The mc of Γ10 is significantly enhanced up to 0.6 μB at T =1.5 K, which is accompanied by the incommensurate modulations. The Landau phenomenological approach indicates that the higher-order magnetic and/or multipole interactions based on the pseudoquartet f -electron state play important roles.

Magnetic moment distribution modeling in non stoichiometric Ni-Mn-Ga ferromagnetic shape memory alloys

NASA Astrophysics Data System (ADS)

Lázpita, P.; Gutiérrez, J.; Barandiarán, J. M.; Chernenko, V. A.; Mondelli, C.; Chapon, L.

2014-11-01

Neutron polarized diffraction technique has been used to elucidate the magnetic moment distribution density in non stoichiometric Ni—Mn—Ga single crystals. These experiments allow us to determine a localized magnetic moment in the Mn position in the austenitic phase, and to validity qualitatively previous models of magnetic distributions where there are antiferromagnetic and ferromagnetic coupling for Mn atoms that are sited out of their properly positions. This measurements show the deep dependence of the magnetic moment with the composition and the atomic order.

Gravitational torque on the inner core and decadal polar motion

NASA Astrophysics Data System (ADS)

Dumberry, Mathieu

2008-03-01

A decadal polar motion with an amplitude of approximately 25 milliarcsecs (mas) is observed over the last century, a motion known as the Markowitz wobble. The origin of this motion remains unknown. In this paper, we investigate the possibility that a time-dependent axial misalignment between the density structures of the inner core and mantle can explain this signal. The longitudinal displacement of the inner core density structure leads to a change in the global moment of inertia of the Earth. In addition, as a result of the density misalignment, a gravitational equatorial torque leads to a tilt of the oblate geometric figure of the inner core, causing a further change in the global moment of inertia. To conserve angular momentum, an adjustment of the rotation vector must occur, leading to a polar motion. We develop theoretical expressions for the change in the moment of inertia and the gravitational torque in terms of the angle of longitudinal misalignment and the density structure of the mantle. A model to compute the polar motion in response to time-dependent axial inner core rotations is also presented. We show that the polar motion produced by this mechanism can be polarized about a longitudinal axis and is expected to have decadal periodicities, two general characteristics of the Markowitz wobble. The amplitude of the polar motion depends primarily on the Y12 spherical harmonic component of mantle density, on the longitudinal misalignment between the inner core and mantle, and on the bulk viscosity of the inner core. We establish constraints on the first two of these quantities from considerations of the axial component of this gravitational torque and from observed changes in length of day. These constraints suggest that the maximum polar motion from this mechanism is smaller than 1 mas, and too small to explain the Markowitz wobble.

Slater-Pauling behavior within quaternary intermetallic borides of the Ti{sub 3}Co{sub 5}B{sub 2} structure-type

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

Burghaus, Jens; Dronskowski, Richard, E-mail: drons@HAL9000.ac.rwth-aachen.d; Miller, Gordon J.

2009-10-15

First-principles, density-functional studies of several intermetallic borides of the general type M{sub 2}M'Ru{sub 5-n}Rh{sub n}B{sub 2} (n=0-5; M=Sc, Ti, Nb; M'=Fe, Co) show that the variation in saturation magnetic moment with valence-electron count follows a Slater-Pauling curve, with a maximum moment occurring typically at 66 valence electrons. The magnetic moments in these compounds occur primarily from the 3d electrons of the magnetically active M' sites, with some contribution from the Ru/Rh sites via magnetic polarization. Electronic DOS curves reveal that a rigid-band approach is a reasonable approximation for the estimation of saturation moments and the analysis of orbital interactions inmore » this family of complex borides. COHP analyses of the M'-M' orbital interactions indicate optimized interactions in the minority spin states for Co-containing phases, but strong bonding interactions remaining in Fe-containing phases. - Graphical abstract: Theoretically determined (spin-polarized LMTO-GGA) local magnetic moments as a function of the chemical valence Z for various intermetallic borides.« less

On push-forward representations in the standard gyrokinetic model

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

Miyato, N., E-mail: miyato.naoaki@jaea.go.jp; Yagi, M.; Scott, B. D.

2015-01-15

Two representations of fluid moments in terms of a gyro-center distribution function and gyro-center coordinates, which are called push-forward representations, are compared in the standard electrostatic gyrokinetic model. In the representation conventionally used to derive the gyrokinetic Poisson equation, the pull-back transformation of the gyro-center distribution function contains effects of the gyro-center transformation and therefore electrostatic potential fluctuations, which is described by the Poisson brackets between the distribution function and scalar functions generating the gyro-center transformation. Usually, only the lowest order solution of the generating function at first order is considered to explicitly derive the gyrokinetic Poisson equation. This ismore » true in explicitly deriving representations of scalar fluid moments with polarization terms. One also recovers the particle diamagnetic flux at this order because it is associated with the guiding-center transformation. However, higher-order solutions are needed to derive finite Larmor radius terms of particle flux including the polarization drift flux from the conventional representation. On the other hand, the lowest order solution is sufficient for the other representation, in which the gyro-center transformation part is combined with the guiding-center one and the pull-back transformation of the distribution function does not appear.« less

Development of theoretical models of integrated millimeter wave antennas

NASA Technical Reports Server (NTRS)

Yngvesson, K. Sigfrid; Schaubert, Daniel H.

1991-01-01

Extensive radiation patterns for Linear Tapered Slot Antenna (LTSA) Single Elements are presented. The directivity of LTSA elements is predicted correctly by taking the cross polarized pattern into account. A moment method program predicts radiation patterns for air LTSAs with excellent agreement with experimental data. A moment method program was also developed for the task LTSA Array Modeling. Computations performed with this program are in excellent agreement with published results for dipole and monopole arrays, and with waveguide simulator experiments, for more complicated structures. Empirical modeling of LTSA arrays demonstrated that the maximum theoretical element gain can be obtained. Formulations were also developed for calculating the aperture efficiency of LTSA arrays used in reflector systems. It was shown that LTSA arrays used in multibeam systems have a considerable advantage in terms of higher packing density, compared with waveguide feeds. Conversion loss of 10 dB was demonstrated at 35 GHz.

Mellin-Barnes approach to hadronic vacuum polarization and gμ-2

NASA Astrophysics Data System (ADS)

Charles, Jérôme; de Rafael, Eduardo; Greynat, David

2018-04-01

It is shown that with a precise determination of a few derivatives of the hadronic vacuum polarization (HVP) self-energy function Π (Q2) at Q2=0 , from lattice QCD (LQCD) or from a dedicated low-energy experiment, one can obtain an evaluation of the lowest order HVP contribution to the anomalous magnetic moment of the muon aμHVP with an accuracy comparable to the one reached using the e+e- annihilation cross section into hadrons. The technique of Mellin-Barnes approximants (MBa) that we propose is illustrated in detail with the example of the two loop vacuum polarization function in QED. We then apply it to the first few moments of the hadronic spectral function obtained from experiment and show that the resulting MBa evaluations of aμHVP converge very quickly to the full experimental determination.

Weak-field ELF magnetic interactions: Implications for biological change during paleomagnetic reversals.

PubMed

Liboff, Abraham R

2013-12-01

Contrary to the belief that paleomagnetic reversals are not biologically significant, we find good reason to think otherwise. Attention is drawn to polarity transitions, time intervals a few thousand years long that follow the collapse of the existing geomagnetic dipole moment and precede the establishment of the new, oppositely directed moment. The geomagnetic field during transitions is reduced to a maximal mean intensity about 10% of the stable field and can exhibit low-frequency perturbations comparable to numerous laboratory-based extremely low frequency (ELF) studies reporting biological interactions, making it very likely that similar interactions must occur over the course of a polarity transition. This conclusion is strengthened by reports of medical problems that significantly correlate with intense solar winds, events that also generate ELF perturbations similar to those that can occur during polarity transitions.

Magnetic Moment of Proton Drip-Line Nucleus (9)C

NASA Technical Reports Server (NTRS)

Matsuta, K.; Fukuda, M.; Tanigaki, M.; Minamisono, T.; Nojiri, Y.; Mihara, M.; Onishi, T.; Yamaguchi, T.; Harada, A.; Sasaki, M.

1994-01-01

The magnetic moment of the proton drip-line nucleus C-9(I(sup (pi)) = 3/2, T(sub 1/2) = 126 ms) has been measured for the first time, using the beta-NMR detection technique with polarized radioactive beams. The measure value for the magnetic moment is 1mu(C-9)! = 1.3914 +/- 0.0005 (mu)N. The deduced spin expectation value of 1.44 is unusually larger than any other ones of even-odd nuclei.

Validation of a triangular quantum well model for GaN-based HEMTs used in pH and dipole moment sensing

NASA Astrophysics Data System (ADS)

Rabbaa, S.; Stiens, J.

2012-11-01

Gallium nitride (GaN) is a relatively new semiconductor material that has the potential of replacing gallium arsenide (GaAs) in some of the more recent technological applications, for example chemical sensor applications. In this paper, we introduce a triangular quantum well model for an undoped AlGaN/GaN high electron mobility transistor (HEMT) structure used as a chemical and biological sensor for pH and dipole moment measurements of polar liquids. We have performed theoretical calculations related to the HEMT characteristics and we have compared them with experimental measurements carried out in many previous papers. These calculations include the current-voltage (I-V) characteristics of the device, the surface potential, the change in the drain current with the dipole moment and the drain current as a function of pH. The results exhibit good agreement with experimental measurements for different polar liquids and electrolyte solutions. It is also found that the drain current of the device exhibits a large linear variation with the dipole moment, and that the surface potential and the drain current depend strongly on the pH. Therefore, it can distinguish molecules with slightly different dipole moments and solutions with small variations in pH. The ability of the device to sense biomolecules (such as proteins) with very large dipole moments is investigated.

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

PubMed

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

2018-04-07

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

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

NASA Astrophysics Data System (ADS)

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

2013-11-01

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

Solvent influence on the photophysical properties of 4-(2-Oxo-2H-benzo[h]chromen-4-ylmethoxy)-benzaldehyde

NASA Astrophysics Data System (ADS)

Pramod, A. G.; Renuka, C. G.; Shivashankar, K.; Boregowda, P.; Nadaf, Y. F.

2018-05-01

Steady-state absorption and the fluorescence properties of the synthesized Benzofuran derivatives were studied. Absorption and fluorescence spectra of 4-(2-Oxo-2H-benzo[h]chromen-4-ylm ethoxy)-benzaldehyde (4-OBCM) have been recorded at room temperature in extensive variety of solvents of various polarities. 4-OBCM Fluorescence band maxima of the solvents are small amount spectral shifted to hypsochromic when the solvent polarity will increase, compared to absorption band under the identical circumstance. This suggests an increase in dipole moment of excited state compared to ground state. The ground-state dipole moment of 4-OBCM was found from quantum mechanical methods and the excited state dipole moment of 4-OBCM was evaluated from Lippert-Mataga Bakhshiev's, Kawski-Chamma-Viallet's and Reichardt conditions by methods for solvatochromic shift. Kamlet-Taft coefficients which affect this absorption profiles.

Analysis of the COS B data for evidence of linear polarization of VELA pulsar gamma rays

NASA Astrophysics Data System (ADS)

Mattox, John R.; Mayer-Hasselwander, Hans A.; Strong, Andy W.

1990-11-01

The COS B spark chamber telescope observations of the Vela pulsar were analyzed for gamma-ray polarization. No significant quadrupole moment is found in the azimuthal distribution of the electron-positron pair production planes. However, analysis of the sensitivity indicates that even 100-percent polarization would not be detected. Therefore, the null result does not constrain the polarization of the Vela pulsar gamma-ray emission. This result contradicts the report of Caraveo et al. (1988) of possible evidence for polarization of the Vela pulsar gamma rays.

Robust half-metallic ferromagnetism and curvature dependent magnetic coupling in fluorinated boron nitride nanotubes.

PubMed

Guo, Chunsheng; Zhou, Yu; Shi, Xin-Qiang; Gan, Li-Yong; Jiang, Hong; Zhao, Yong

2016-04-28

The fluorinated boron nitride (F-BN) nanostructures are found to be fully spin polarized and half-metallic by means of first-principles calculations based on the Heyd-Scuseria-Ernzerhof hybrid functional. It is found that the full spin polarization and 1 μB local moment in F-BN nanotubes are independent of tube radius and it is also robust in planar ribbons and sheets. The long-ranged ferromagnetic coupling between local moments decreases with decreasing tube radius. This suggests that F-BN systems with small local curvatures could be more easily experimentally observed and have greater potential applications in spin devices.

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.

Magnetic control of valley pseudospin in monolayer WSe 2

DOE PAGES

Aivazian, G.; Gong, Zhirui; Jones, Aaron M.; ...

2015-01-26

Local energy extrema of the bands in momentum space, or valleys, can endow electrons in solids with pseudo-spin in addition to real spin 1-5. In transition metal dichalcogenides this valley pseudo-spin, like real spin, is associated with a magnetic moment1,6 which underlies the valley-dependent circular dichroism 6 that allows optical generation of valley polarization 7-9, intervalley quantum coherence 10, and the valley Hall effect 11. However, magnetic manipulation of valley pseudospin via this magnetic moment 12-13, analogous to what is possible with real spin, has not been shown before. Here we report observation of the valley Zeeman splitting and magneticmore » tuning of polarization and coherence of the excitonic valley pseudospin, by performing polarization-resolved magneto-photoluminescence on monolayer WSe 2. Our measurements reveal both the atomic orbital and lattice contributions to the valley orbital magnetic moment; demonstrate the deviation of the band edges in the valleys from an exact massive Dirac fermion model; and reveal a striking difference between the magnetic responses of neutral and charged valley excitons which is explained by renormalization of the excitonic spectrum due to strong exchange interactions.« less

Polarity-Dependent Vortex Pinning and Spontaneous Vortex-Antivortex Structures in Superconductor/Ferromagnet Hybrids

NASA Astrophysics Data System (ADS)

Bending, Simon J.; Milošević, Milorad V.; Moshchalkov, Victor V.

Hybrid structures composed of superconducting films that are magnetically coupled to arrays of nanoscale ferromagnetic dots have attracted enormous interest in recent years. Broadly speaking, such systems fall into one of two distinct regimes. Ferromagnetic dots with weak moments pin free vortices, leading to enhanced superconducting critical currents, particularly when the conditions for commensurability are satisfied. Dots with strong moments spontaneously generate one or more vortex-antivortex (V-AV) pairs which lead to a rich variety of pinning, anti-pinning and annihilation phenomena. We describe high resolution Hall probe microscopy of flux structures in various hybrid samples composed of superconducting Pb films deposited on arrays of ferromagnetic Co or Co/Pt dots with both weak and strong moments. We show directly that dots with very weak perpendicular magnetic moments do not induce vortex-antivortex pairs, but still act as strong polarity-dependent vortex pinning centres for free vortices. In contrast, we have directly observed spontaneous V-AV pairs induced by large moment dots with both in-plane and perpendicular magnetic anisotropy, and studied the rich physical phenomena that arise when they interact with added "free" (anti)fluxons in an applied magnetic field. The interpretation of our imaging results is supported by bulk magnetometry measurements and state-of-the-art Ginzburg-Landau and London theory calculations.

A numerical assessment of rough surface scattering theories. I - Horizontal polarization. II - Vertical polarization

NASA Technical Reports Server (NTRS)

Rodriguez, Ernesto; Kim, Yunjin; Durden, Stephen L.

1992-01-01

A numerical evaluation is presented of the regime of validity for various rough surface scattering theories against numerical results obtained by employing the method of moments. The contribution of each theory is considered up to second order in the perturbation expansion for the surface current. Considering both vertical and horizontal polarizations, the unified perturbation method provides best results among all theories weighed.

Contribution of the polarization moments of different rank to the integral CPT signal

NASA Astrophysics Data System (ADS)

Taskova, E.; Alipieva, E.; Todorov, G.

2016-01-01

In the present work we investigate the relation of the polarization moments having different ranks with the tensor components which form the observable integral CPT signal, in the presence of a stray magnetic field. A numerical experiment with parameters close to the real ones is performed, using a program based on the irreducible tensor operator formalism1. The integral fluorescent signal is calculated for the non-polarized fluorescence at different laser power excitation. Detailed analysis of the numerical solutions for all tensor components which describe population and alignment allows visualizing the dynamics of their behavior in dependence on the experimental geometry and laboratory magnetic field B'. The dependence of population f00, longitudinal f02 and transverse f22 alignment in the presence of transverse magnetic field is investigated. The shape and sign of the resonance change with laser power.

Entanglement of polar symmetric top molecules as candidate qubits.

PubMed

Wei, Qi; Kais, Sabre; Friedrich, Bretislav; Herschbach, Dudley

2011-10-21

Proposals for quantum computing using rotational states of polar molecules as qubits have previously considered only diatomic molecules. For these the Stark effect is second-order, so a sizable external electric field is required to produce the requisite dipole moments in the laboratory frame. Here we consider use of polar symmetric top molecules. These offer advantages resulting from a first-order Stark effect, which renders the effective dipole moments nearly independent of the field strength. That permits use of much lower external field strengths for addressing sites. Moreover, for a particular choice of qubits, the electric dipole interactions become isomorphous with NMR systems for which many techniques enhancing logic gate operations have been developed. Also inviting is the wider chemical scope, since many symmetric top organic molecules provide options for auxiliary storage qubits in spin and hyperfine structure or in internal rotation states. © 2011 American Institute of Physics

Investigation of optical limiting properties of Aluminium nanoparticles prepared by pulsed laser ablation in different carrier media

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

Kuladeep, Rajamudili; Jyothi, L.; Narayana Rao, D.

In this communication, we carried out the systematic investigation of nonlinear absorption and scattering properties of Aluminium nanoparticles (Al NPs) in various polar and non-polar solvents. Al NPs were synthesized with pulsed Nd:YAG laser operated at 1064 nm by ablating Al target in polar and non-polar liquid environment like chloroform, chlorobenzene, toluene, benzene, and carbon tetrachloride. Synthesized Al NPs colloids of various solvents differ in appearance and UV-Vis extinction spectra exhibit absorption in the UV region. The characterization of Al NPs performed by Transmission electron microscopy (TEM) studies reveal that NPs are made up of a well crystallized Al innermore » part (bright zone) embedded with an amorphous metal Al shell (dark region). Growth, aggregation, and precipitation mechanisms which influence the optical properties and stability of NPs are found to be related to the dipole moment of the surrounding liquid environment. The nonlinear absorption and scattering studies are performed by open aperture Z-scan technique with 532 nm under nanosecond pulse excitation. The Z-scan measurements are fitted theoretically to estimate both two-photon absorption (TPA) and nonlinear scattering (NLS) coefficients. In polar solvents like chlorobenzene, chloroform synthesized Al NPs exhibited higher TPA, NLS coefficient values, and lower optical limiting threshold values in comparison with partially polar solvent like toluene and non-polar solvents like benzene and carbontetrachloride. These results indicate the potential use of Al NPs as a versatile optical limiting material.« less

Origin of the net magnetic moment in LaCoO3

NASA Astrophysics Data System (ADS)

Kaminsky, G. M.; Belanger, D. P.; Ye, F.; Fernandez-Baca, J. A.; Wang, J.; Matsuda, M.; Yan, J.-Q.

2018-01-01

We use polarized neutron scattering to characterize the Bragg scattering intensity below TC=89.5 K at the (1,0,0) pseudocubic nuclear Bragg point of LaCoO3. Upon cooling in a field (FC), a net magnetic moment is apparent in Bragg scattering intensity, just as it was in previous magnetization measurements. Critical behavior associated with the net moment near TC upon cooling in small applied fields rapidly rounds with increasing field strength. We show, using a mean-field calculation, that this net moment can develop in a metastable state that forms upon FC, even when all the interactions in the system are antiferromagnetic.

Reconstruction of color biomedical images by means of quaternion generic Jacobi-Fourier moments in the framework of polar pixels

PubMed Central

Camacho-Bello, César; Padilla-Vivanco, Alfonso; Toxqui-Quitl, Carina; Báez-Rojas, José Javier

2016-01-01

Abstract. A detailed analysis of the quaternion generic Jacobi-Fourier moments (QGJFMs) for color image description is presented. In order to reach numerical stability, a recursive approach is used during the computation of the generic Jacobi radial polynomials. Moreover, a search criterion is performed to establish the best values for the parameters α and β of the radial Jacobi polynomial families. Additionally, a polar pixel approach is taken into account to increase the numerical accuracy in the calculation of the QGJFMs. To prove the mathematical theory, some color images from optical microscopy and human retina are used. Experiments and results about color image reconstruction are presented. PMID:27014716

Electronic state of PuCoGa5 and NpCoGa5 as probed by polarized neutrons.

PubMed

Hiess, A; Stunault, A; Colineau, E; Rebizant, J; Wastin, F; Caciuffo, R; Lander, G H

2008-02-22

By using single crystals and polarized neutrons, we have measured the orbital and spin components of the microscopic magnetization in the paramagnetic state of NpCoGa(5) and PuCoGa(5). The microscopic magnetization of NpCoGa(5) agrees with that observed in bulk susceptibility measurements and the magnetic moment has spin and orbital contributions as expected for intermediate coupling. In contrast, for PuCoGa(5), which is a superconductor with a high transition temperature, the microscopic magnetization in the paramagnetic state is small, temperature-independent, and significantly below the value found with bulk techniques at low temperatures. The orbital moment dominates the magnetization.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

The stability and half-metallicity of (001) surface and (001) interface based on zinc blende MnAs

NASA Astrophysics Data System (ADS)

Han, Hongpei; Feng, Tuanhui; Zhang, Chunli; Feng, Zhibo; Li, Ming; Yao, K. L.

2018-06-01

Motivated by the growth of MnAs/GaAs thin films in many experimental researches, we investigate the electronic and magnetic properties of bulk, (001) surfaces and (001) interfaces for zinc blende MnAs by means of first-principle calculations. It is confirmed that zinc blende MnAs is a nearly half-metallic ferromagnet with 4.00 μB magnetic moment. The calculated density of states show that the half-metallicity exists in As-terminated (001) surface while it is lost in Mn-terminated (001) surface. For the (001) interfaces of MnAs with semiconductor GaAs, it is found that As-Ga and Mn-As interfaces not only have higher spin polarization but also are more stable among the four considered interfaces. Our results would be helpful to grow stable and high polarized thin films or multilayers for the practical applications of spintronic devices.

The local magnetic properties of [MnIII6 CrIII]3+ and [FeIII6 CrIII]3+ single-molecule magnets deposited on surfaces studied by spin-polarized photoemission and XMCD with circularly polarized synchrotron radiation

NASA Astrophysics Data System (ADS)

Heinzmann, U.; Helmstedt, A.; Dohmeier, N.; Müller, N.; Gryzia, A.; Brechling, A.; Hoeke, V.; Krickemeyer, E.; Glaser, T.; Fonin, M.; Bouvron, S.; Leicht, P.; Tietze, T.; Goering, E.; Kuepper, K.

2014-04-01

It is demonstrated that local magnetic moments of single molecule magnets (SMM) normally studied by XMCD at very low temperatures and high magnetic fields can be measured by means of spin-resolved electron emission in the paramagnetic phase at room temperature by use of circularly polarized radiation.

A Polarized Universe

NASA Technical Reports Server (NTRS)

Wanjek, Christopher

2003-01-01

The CMB polarization was produced as light scattered off a primordial cloud of protons and electrons nearly 14 billion years ago, about 400,000 years after the Big Bang. This marks the moment of recombination, when the universe finally cooled enough to allow electrons to join protons. The CMB is the light that broke through the fog.

Measurement of the Proton Spin Structure Function g1(x,Q2) for Q2 from 0.15 to 1.6 GeV2 with CLAS

NASA Astrophysics Data System (ADS)

Fatemi, R.; Skabelin, A. V.; Burkert, V. D.; Crabb, D.; Vita, R. De; Kuhn, S. E.; Minehart, R.; Adams, G.; Anciant, E.; Anghinolfi, M.; Asavapibhop, B.; Audit, G.; Auger, T.; Avakian, H.; Bagdasaryan, H.; Ball, J. P.; Barrow, S.; Battaglieri, M.; Beard, K.; Bektasoglu, M.; Bellis, M.; Bertozzi, W.; Bianchi, N.; Biselli, A. S.; Boiarinov, S.; Bonner, B. E.; Bosted, P. E.; Bouchigny, S.; Bradford, R.; Branford, D.; Brooks, W. K.; Butuceanu, C.; Calarco, J. R.; Carman, D. S.; Carnahan, B.; Cetina, C.; Ciciani, L.; Clark, R.; Cole, P. L.; Coleman, A.; Connelly, J.; Cords, D.; Corvisiero, P.; Crannell, H.; Cummings, J. P.; de Sanctis, E.; Degtyarenko, P. V.; Denizli, H.; Dennis, L.; Dharmawardane, K. V.; Dhuga, K. S.; Djalali, C.; Dodge, G. E.; Doughty, D.; Dragovitsch, P.; Dugger, M.; Dytman, S.; Eckhause, M.; Egiyan, H.; Egiyan, K. S.; Elouadrhiri, L.; Empl, A.; Eugenio, P.; Farhi, L.; Feuerbach, R. J.; Freyberger, A.; Ficenec, J.; Forest, T. A.; Frolov, V.; Funsten, H.; Gaff, S. J.; Garçon, M.; Gavalian, G.; Gilad, S.; Gilfoyle, G. P.; Giovanetti, K. L.; Girard, P.; Gordon, C. I.; Griffioen, K. A.; Guidal, M.; Guillo, M.; Guo, L.; Gyurjyan, V.; Hadjidakis, C.; Hancock, D.; Hardie, J.; Heddle, D.; Heimberg, P.; Hersman, F. W.; Hicks, K.; Hicks, R. S.; Holtrop, M.; Hu, J.; Hyde-Wright, C. E.; Ilieva, Y.; Ito, M. M.; Jenkins, D.; Joo, K.; Keith, C.; Kelley, J. H.; Kellie, J. D.; Khandaker, M.; Kim, K. Y.; Kim, K.; Kim, W.; Klein, A.; Klein, F. J.; Klimenko, A. V.; Klusman, M.; Kossov, M.; Koubarovski, V.; Kramer, L. H.; Kuang, Y.; Kuhn, J.; Lachniet, J.; Laget, J. M.; Lawrence, D.; Li, Ji; Livingston, K.; Longhi, A.; Lukashin, K.; Major, W.; Manak, J. J.; Marchand, C.; McAleer, S.; McNabb, J. W.; Mecking, B. A.; Mehrabyan, S.; Mestayer, M. D.; Meyer, C. A.; Mikhailov, K.; Mirazita, M.; Miskimen, R.; Morand, L.; Morrow, S. A.; Muccifora, V.; Mueller, J.; Mutchler, G. S.; Napolitano, J.; Nasseripour, R.; Nelson, S. O.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Niczyporuk, B. B.; Niyazov, R. A.; Nozar, M.; O'Brien, J. T.; O'Rielly, G. V.; Osipenko, M.; Park, K.; Pasyuk, E.; Peterson, G.; Pivnyuk, N.; Pocanic, D.; Pogorelko, O.; Polli, E.; Pozdniakov, S.; Preedom, B. M.; Price, J. W.; Prok, Y.; Protopopescu, D.; Qin, L. M.; Raue, B. A.; Riccardi, G.; Ricco, G.; Ripani, M.; Ritchie, B. G.; Rock, S. E.; Ronchetti, F.; Rossi, P.; Rowntree, D.; Rubin, P. D.; Sabatié, F.; Sabourov, K.; Salgado, C.; Santoro, J. P.; Sapunenko, V.; Sargsyan, M.; Schumacher, R. A.; Seely, M.; Serov, V. S.; Sharabian, Y. G.; Shaw, J.; Simionatto, S.; Smith, E. S.; Smith, T.; Smith, L. C.; Sober, D. I.; Sorrel, L.; Spraker, M.; Stavinsky, A.; Stepanyan, S.; Stoler, P.; Strauch, S.; Taiuti, M.; Taylor, S.; Tedeschi, D. J.; Thoma, U.; Thompson, R.; Todor, L.; Tur, C.; Ungaro, M.; Vineyard, M. F.; Vlassov, A. V.; Wang, K.; Weinstein, L. B.; Weller, H.; Weygand, D. P.; Whisnant, C. S.; Wolin, E.; Wood, M. H.; Yegneswaran, A.; Yun, J.; Zhang, B.; Zhao, J.; Zhou, Z.

2003-11-01

Double-polarization asymmetries for inclusive ep scattering were measured at Jefferson Lab using 2.6 and 4.3GeV longitudinally polarized electrons incident on a longitudinally polarized NH3 target in the CLAS detector. The polarized structure function g1(x,Q2) was extracted throughout the nucleon resonance region and into the deep inelastic regime, for Q2=0.15 1.64 GeV2. The contributions to the first moment Γ1(Q2)=∫g1(x,Q2) dx were determined up to Q2=1.2 GeV2. Using a parametrization for g1 in the unmeasured low x regions, the complete first moment was estimated over this Q2 region. A rapid change in Γ1 is observed for Q2<1 GeV2, with a sign change near Q2=0.3 GeV2, indicating dominant contributions from the resonance region. At Q2=1.2 GeV2 our data are below the perturbative QCD evolved scaling value.

Separation and correlation of structural and magnetic roughness in a Ni thin film by polarized off-specular neutron reflectometry.

PubMed

Singh, Surendra; Basu, Saibal

2009-02-04

Diffuse (off-specular) neutron and x-ray reflectometry has been used extensively for the determination of interface morphology in solids and liquids. For neutrons, a novel possibility is off-specular reflectometry with polarized neutrons to determine the morphology of a magnetic interface. There have been few such attempts due to the lower brilliance of neutron sources, though magnetic interaction of neutrons with atomic magnetic moments is much easier to comprehend and easily tractable theoretically. We have obtained a simple and physically meaningful expression, under the Born approximation, for analyzing polarized diffuse (off-specular) neutron reflectivity (PDNR) data. For the first time PDNR data from a Ni film have been analyzed and separate chemical and magnetic morphologies have been quantified. Also specular polarized neutron reflectivity measurements have been carried out to measure the magnetic moment density profile of the Ni film. The fit to PDNR data results in a longer correlation length for in-plane magnetic roughness than for chemical (structural) roughness. The magnetic interface is smoother than the chemical interface.

Joint Kinetics to Assess the Influence of the Racket on a Tennis Player’s Shoulder

PubMed Central

Creveaux, Thomas; Dumas, Raphaël; Hautier, Christophe; Macé, Pierre; Chèze, Laurence; Rogowski, Isabelle

2013-01-01

This study aimed at investigating the influence of three rackets on shoulder net joint moments, power and muscle activity during the flat tennis serve under field- conditions. A 6-camera Eagle® motion analysis system, operating at 256 Hz, captured racket and dominant upper limb kinematics of the serve in five tennis players under three racket conditions (A: low mass, high balance and polar moment, B: low three moments of inertia, and C: high mass, swingweight and twistweight). The electromyographic activity of six trunk and arm muscles was simultaneously recorded. Shoulder net joint moments and power were computed by 3D inverse dynamics. The results showed that greater shoulder joint power and internal/external rotation peak moments were found to accelerate and decelerate racket A in comparison with the racket C. Moreover, serving with the racket A resulted in less activity in latissimus dorsi muscle during the acceleration phase, and biceps brachii muscle during the follow-through phase when compared with racket C. These initial findings encourage studying the biomechanical measurements to quantify the loads on the body during play in order to reduce them, and then prevent shoulder injuries. Racket specifications may be a critical point for coaches who train players suffering from shoulder pain and chronic upper limb injuries should be considered in relation to the racket specifications of the players. Key Points Light racket required more joint power than heavy one to achieve similar post impact ball velocity. Serving with a light racket resulted in higher shoulder internal and external rotation moments than using a heavy one for similar performance. Chronic shoulder pain should encourage coaches to check for potentially inappropriate racket specifications of their players. PMID:24149804

Magnetic moment arrangement in amorphous Fe 0.66Er 0.19B 0.15

NASA Astrophysics Data System (ADS)

Szymański, K.; Kalska, B.; Satuła, D.; Dobrzyński, L.; Broddefalk, A.; Wäppling, R.; Nordblad, P.

2002-11-01

Magnetization measurements and Mössbauer spectroscopy with and without a monochromatic circularly polarized Mössbauer source (MCPMS) have been performed in order to determine the magnetic properties of the amorphous alloy Fe 0.66Er 0.19B 0.15. The system is found to order ferrimagnetically at TC=330 K and to show a compensation temperature ( Tcomp) at 120 K. A reorientation of the magnetic moments of iron and erbium during sample cooling through the compensation point in magnetic field is clearly displayed in the MCPMS data. The orientation of the net magnetic moment is due to the orientation of Fe moments above Tcomp and to Er moments at low temperatures. The results are compatible with a model of predominantly antiferromagnetic Fe-Er coupling accompanied by random local anisotropy acting on the Er moments.

Competition of Dzyaloshinskii-Moriya and Higher-Order Exchange Interactions in Rh /Fe Atomic Bilayers on Ir(111)

NASA Astrophysics Data System (ADS)

Romming, Niklas; Pralow, Henning; Kubetzka, André; Hoffmann, Markus; von Malottki, Stephan; Meyer, Sebastian; Dupé, Bertrand; Wiesendanger, Roland; von Bergmann, Kirsten; Heinze, Stefan

2018-05-01

Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh /Fe atomic bilayers on Ir(111). We find that higher-order exchange interactions depend sensitively on the stacking sequence. For fcc-Rh /Fe /Ir (111 ) , frustrated exchange interactions are dominant and lead to the formation of a spin spiral ground state with a period of about 1.5 nm. For hcp-Rh /Fe /Ir (111 ) , higher-order exchange interactions favor an up-up-down-down (↑↑↓↓) state. However, the Dzyaloshinskii-Moriya interaction at the Fe /Ir interface leads to a small angle of about 4° between adjacent magnetic moments resulting in a canted ↑↑↓↓ ground state.

Measurements of t t ¯ spin correlations and top quark polarization using dilepton final states in p p collisions at s = 8 TeV

DOE PAGES

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; ...

2016-03-09

We presented measurements of the top quark-antiquark (tt¯) spin correlations and the top quark polarization for tt¯ pairs produced in pp collisions at √s=8 TeV. The data correspond to an integrated luminosity of 19.5 fb -1 collected with the CMS detector at the LHC. The measurements are performed using events with two oppositely charged leptons (electrons or muons) and two or more jets, where at least one of the jets is identified as originating from a bottom quark. The spin correlations and polarization are measured from the angular distributions of the two selected leptons, both inclusively and differentially, with respectmore » to the invariant mass, rapidity, and transverse momentum of the tt¯ system. Moreover, the measurements are unfolded to the parton level and found to be in agreement with predictions of the standard model. A search for new physics in the form of anomalous top quark chromo moments is performed. Lastly, no evidence of new physics is observed, and exclusion limits on the real part of the chromo-magnetic dipole moment and the imaginary part of the chromo-electric dipole moment are evaluated.« less

Measurements of t t ¯ spin correlations and top quark polarization using dilepton final states in p p collisions at s = 8 TeV

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

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.

We presented measurements of the top quark-antiquark (tt¯) spin correlations and the top quark polarization for tt¯ pairs produced in pp collisions at √s=8 TeV. The data correspond to an integrated luminosity of 19.5 fb -1 collected with the CMS detector at the LHC. The measurements are performed using events with two oppositely charged leptons (electrons or muons) and two or more jets, where at least one of the jets is identified as originating from a bottom quark. The spin correlations and polarization are measured from the angular distributions of the two selected leptons, both inclusively and differentially, with respectmore » to the invariant mass, rapidity, and transverse momentum of the tt¯ system. Moreover, the measurements are unfolded to the parton level and found to be in agreement with predictions of the standard model. A search for new physics in the form of anomalous top quark chromo moments is performed. Lastly, no evidence of new physics is observed, and exclusion limits on the real part of the chromo-magnetic dipole moment and the imaginary part of the chromo-electric dipole moment are evaluated.« less

Spin-polarized structural, elastic, electronic and magnetic properties of half-metallic ferromagnetism in V-doped ZnSe

NASA Astrophysics Data System (ADS)

Monir, M. El Amine.; Baltache, H.; Murtaza, G.; Khenata, R.; Ahmed, Waleed K.; Bouhemadou, A.; Omran, S. Bin; Seddik, T.

2015-01-01

Based on first principles spin-polarized density functional theory, the structural, elastic electronic and magnetic properties of Zn1-xVxSe (for x=0.25, 0.50, 0.75) in zinc blende structure have been studied. The investigation was done using the full-potential augmented plane wave method as implemented in WIEN2k code. The exchange-correlation potential was treated with the generalized gradient approximation PBE-GGA for the structural and elastic properties. Moreover, the PBE-GGA+U approximation (where U is the Hubbard correlation terms) is employed to treat the "d" electrons properly. A comparative study between the band structures, electronic structures, total and partial densities of states and local moments calculated within both GGA and GGA+U schemes is presented. The analysis of spin-polarized band structure and density of states shows the half-metallic ferromagnetic character and are also used to determine s(p)-d exchange constants N0α (conduction band) and N0β (valence band) due to Se(4p)-V(3d) hybridization. It has been clearly evidence that the magnetic moment of V is reduced from its free space change value of 3 μB and the minor atomic magnetic moment on Zn and Se are generated.

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

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

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

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

3D hydrophobic moment vectors as a tool to characterize the surface polarity of amphiphilic peptides.

PubMed

Reißer, Sabine; Strandberg, Erik; Steinbrecher, Thomas; Ulrich, Anne S

2014-06-03

The interaction of membranes with peptides and proteins is largely determined by their amphiphilic character. Hydrophobic moments of helical segments are commonly derived from their two-dimensional helical wheel projections, and the same is true for β-sheets. However, to the best of our knowledge, there exists no method to describe structures in three dimensions or molecules with irregular shape. Here, we define the hydrophobic moment of a molecule as a vector in three dimensions by evaluating the surface distribution of all hydrophilic and lipophilic regions over any given shape. The electrostatic potential on the molecular surface is calculated based on the atomic point charges. The resulting hydrophobic moment vector is specific for the instantaneous conformation, and it takes into account all structural characteristics of the molecule, e.g., partial unfolding, bending, and side-chain torsion angles. Extended all-atom molecular dynamics simulations are then used to calculate the equilibrium hydrophobic moments for two antimicrobial peptides, gramicidin S and PGLa, under different conditions. We show that their effective hydrophobic moment vectors reflect the distribution of polar and nonpolar patches on the molecular surface and the calculated electrostatic surface potential. A comparison of simulations in solution and in lipid membranes shows how the peptides undergo internal conformational rearrangement upon binding to the bilayer surface. A good correlation with solid-state NMR data indicates that the hydrophobic moment vector can be used to predict the membrane binding geometry of peptides. This method is available as a web application on http://www.ibg.kit.edu/HM/. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Standard partial molar volumes of some aqueous alkanolamines and alkoxyamines at temperatures up to 325 degrees C: functional group additivity in polar organic solutes under hydrothermal conditions.

PubMed

Bulemela, E; Tremaine, Peter R

2008-05-08

Apparent molar volumes of dilute aqueous solutions of monoethanolamine (MEA), diethanolamine (DEA), triethanolamine (TEA), N,N-dimethylethanolamine (DMEA), ethylethanolamine (EAE), 2-diethylethanolamine (2-DEEA), and 3-methoxypropylamine (3-MPA) and their salts were measured at temperatures from 150 to 325 degrees C and pressures as high as 15 MPa. The results were corrected for the ionization and used to obtain the standard partial molar volumes, Vo2. A three-parameter equation of state was used to describe the temperature and pressure dependence of the standard partial molar volumes. The fitting parameters were successfully divided into functional group contributions at all temperatures to obtain the standard partial molar volume contributions. Including literature results for alcohols, carboxylic acids, and hydroxycarboxylic acids yielded the standard partial molar volume contributions of the functional groups >CH-, >CH2, -CH3, -OH, -COOH, -O-, -->N, >NH, -NH2, -COO-Na+, -NH3+Cl-, >NH2+Cl-, and -->NH+Cl- over the range (150 degrees C

The possibilities of using scale-selective polarization cartography in diagnostics of myocardium pathologies

NASA Astrophysics Data System (ADS)

Ushenko, Yu. A.; Wanchuliak, O. Y.

2013-06-01

The optical model of polycrystalline networks of myocardium protein fibrils is presented. The technique of determining the coordinate distribution of polarization azimuth of the points of laser images of myocardium histological sections is suggested. The results of investigating the interrelation between the values of statistical (statistical moments of the 1st-4th order) parameters are presented which characterize distributions of wavelet-coefficients polarization maps of myocardium layers and death reasons.

Effects on the magnetic and optical properties of Co-doped ZnO at different electronic states

NASA Astrophysics Data System (ADS)

Huo, Qingyu; Xu, Zhenchao; Qu, Linfeng

2017-12-01

Both blue and red shifts in the absorption spectrum of Co-doped ZnO have been reported at a similar concentration range of doped Co. Moreover, the sources of magnetism of Co-doped ZnO are controversial. To solve these problems, the geometry optimization and energy of different Co-doped ZnO systems were calculated at the states of electron spin polarization and nonspin polarization by adopting plane-wave ultra-soft pseudopotential technology based on density function theory. At the state of electron nonspin polarization, the total energies increased as the concentration of Co-doped increased. The doped systems also became unstable. The formation energies increased and doping became difficult. Furthermore, the band gaps widened and the absorption spectrum exhibited a blue shift. The band gaps were corrected by local-density approximation + U at the state of electron spin polarization. The magnetic moments of the doped systems weakened as the concentration of doped Co increased. The magnetic moments were derived from the coupling effects of sp-d. The band gaps narrowed and the absorption spectrum exhibited a red shift. The inconsistencies of the band gaps and absorption spectrum at the states of electron spin polarization and nonspin polarization were first discovered in this research, and the sources of Co-doped ZnO magnetism were also reinterpreted.

Polarized Compton Scattering Experiments at the Mainz Microtron

NASA Astrophysics Data System (ADS)

Martel, Philippe

2017-01-01

Interactions between an electromagnetic wave and a proton are described at the basic level by the mass, charge, and anomalous magnetic moment of the proton. Such a description, however, assumes a point-like particle, something the proton is certainly not. The internal structure of the proton leads to higher order terms, such as the scalar and vector polarizabilities, in the interaction. To study these polarizabilities, a multi-experiment program has been undertaken at the Mainz Microtron to measure observables in Compton scattering that exhibit dependence on these parameters. This program has made use of the A2 tagged photon beam, with either a linear or circular polarization, proton targets of either unpolarized LH2 or frozen-spin butanol with transverse or longitudinal polarization, as well as the nearly 4 π detection capability of the Crystal Ball and TAPS detectors. The first of these measurements, the double-polarization asymmetry Σ2 x, also the first of its kind, has already been published. Measurements of the beam asymmetry Σ3 and another double-polarization asymmetry Σ2 z have also been performed and are in various stages of analysis and publication. This talk will discuss the status of these measurements, as well as various fitting studies that are being performed with the data in hand, and plans for future measurements. on behalf of the A2 collaboration at MAMI.

Origin of the net magnetic moment in LaCoO 3

DOE PAGES

Kaminsky, G.; Belanger, David P.; Ye, Feng; ...

2018-01-19

We use polarized neutron scattering to characterize the Bragg scattering intensity below T C=89.5 K at the (1,0,0) pseudocubic nuclear Bragg point of LaCoO 3. Upon cooling in a field (FC), a net magnetic moment is apparent in Bragg scattering intensity, just as it was in previous magnetization measurements. Critical behavior associated with the net moment near T C upon cooling in small applied fields rapidly rounds with increasing field strength. We show, using a mean-field calculation, that this net moment can develop in a metastable state that forms upon FC, even when all the interactions in the system aremore » antiferromagnetic.« less

Statistics of partially-polarized fields: beyond the Stokes vector and coherence matrix

NASA Astrophysics Data System (ADS)

Charnotskii, Mikhail

2017-08-01

Traditionally, the partially-polarized light is characterized by the four Stokes parameters. Equivalent description is also provided by correlation tensor of the optical field. These statistics specify only the second moments of the complex amplitudes of the narrow-band two-dimensional electric field of the optical wave. Electric field vector of the random quasi monochromatic wave is a nonstationary oscillating two-dimensional real random variable. We introduce a novel statistical description of these partially polarized waves: the Period-Averaged Probability Density Function (PA-PDF) of the field. PA-PDF contains more information on the polarization state of the field than the Stokes vector. In particular, in addition to the conventional distinction between the polarized and depolarized components of the field PA-PDF allows to separate the coherent and fluctuating components of the field. We present several model examples of the fields with identical Stokes vectors and very distinct shapes of PA-PDF. In the simplest case of the nonstationary, oscillating normal 2-D probability distribution of the real electrical field and stationary 4-D probability distribution of the complex amplitudes, the newly-introduced PA-PDF is determined by 13 parameters that include the first moments and covariance matrix of the quadrature components of the oscillating vector field.

Laser Cooled YbF Molecules for Measuring the Electron's Electric Dipole Moment

NASA Astrophysics Data System (ADS)

Lim, J.; Almond, J. R.; Trigatzis, M. A.; Devlin, J. A.; Fitch, N. J.; Sauer, B. E.; Tarbutt, M. R.; Hinds, E. A.

2018-03-01

We demonstrate one-dimensional sub-Doppler laser cooling of a beam of YbF molecules to 100 μ K . This is a key step towards a measurement of the electron's electric dipole moment using ultracold molecules. We compare the effectiveness of magnetically assisted and polarization-gradient sub-Doppler cooling mechanisms. We model the experiment and find good agreement with our data.

Laser Cooled YbF Molecules for Measuring the Electron's Electric Dipole Moment.

PubMed

Lim, J; Almond, J R; Trigatzis, M A; Devlin, J A; Fitch, N J; Sauer, B E; Tarbutt, M R; Hinds, E A

2018-03-23

We demonstrate one-dimensional sub-Doppler laser cooling of a beam of YbF molecules to 100  μK. This is a key step towards a measurement of the electron's electric dipole moment using ultracold molecules. We compare the effectiveness of magnetically assisted and polarization-gradient sub-Doppler cooling mechanisms. We model the experiment and find good agreement with our data.

Dipolar collisions of ultracold 23Na87Rb molecules.

NASA Astrophysics Data System (ADS)

Guo, Mingyang; Ye, Xin; He, Junyu; Quéméner, Goulven; González-Martínez, Maykel; Dulieu, Olivier; Wang, Dajun

2017-04-01

Although ultracold polar molecules have long been proposed as a primary candidate for investigating dipolar many body physics, many of their basic properties, like their collisions in external electric fields, are still largely unknown. In fact, despite the successful production of several new ultracold molecular species in the last two years, so far the only available dipolar collision data is still from JILA's fermionic 40K87Rb experiment in 2010. In this talk, we will describe our investigation on dipolar collisions of ultracold bosonic and chemically stable 23Na87Rb molecules which possess a large permanent electric dipole moment. With a moderate electric field, an effective dipole moment large enough to strongly couple higher partial waves into the collisions can be achieved. We will report the influence of this effect on the molecular collisions observed in our experiment. Our theoretical model for understanding these observations will also be presented. This work is supported by the Hong Kong RGC CUHK404712 and the ANR/RGC Joint Research Scheme ACUHK403/13.

Ferroelectric hydration shells around proteins: electrostatics of the protein-water interface.

PubMed

LeBard, David N; Matyushov, Dmitry V

2010-07-22

Numerical simulations of hydrated proteins show that protein hydration shells are polarized into a ferroelectric layer with large values of the average dipole moment magnitude and the dipole moment variance. The emergence of the new polarized mesophase dramatically alters the statistics of electrostatic fluctuations at the protein-water interface. The linear response relation between the average electrostatic potential and its variance breaks down, with the breadth of the electrostatic fluctuations far exceeding the expectations of the linear response theories. The dynamics of these non-Gaussian electrostatic fluctuations are dominated by a slow (approximately = 1 ns) component that freezes in at the temperature of the dynamical transition of proteins. The ferroelectric shell propagates 3-5 water diameters into the bulk.

Spin polarized first principles study of Mn doped gallium nitride monolayer nanosheet

NASA Astrophysics Data System (ADS)

Sharma, Venus; Kaur, Sumandeep; Srivastava, Sunita; Kumar, Tankeshwar

2017-05-01

The structural, electronic and magnetic properties of gallium nitride nanosheet (GaNs) doped with Mn atoms have been studied using spin polarized density functional theory. The binding energy per atom, Energy Band gap, Fermi energy, magnetic moment, electric dipole moment have been found. The doped nanosheet is found to be more stable than pure GaN monolayer nanosheet. Adsorption of Mn atom has been done at four different sites on GaNs which affects the fermi level position. It is found that depending on the doping site, Mn can behave both like p-type semiconductor and also as n-type semiconductor. Also, it is ascertained that Mn doped GaNs (GaNs-Mn) exhibits ferromagnetic behavior.

Authigenic 10Be/9Be ratio signatures of the cosmogenic nuclide production linked to geomagnetic dipole moment variation since the Brunhes/Matuyama boundary.

PubMed

Simon, Quentin; Thouveny, Nicolas; Bourlès, Didier L; Valet, Jean-Pierre; Bassinot, Franck; Ménabréaz, Lucie; Guillou, Valéry; Choy, Sandrine; Beaufort, Luc

2016-11-01

Geomagnetic dipole moment variations associated with polarity reversals and excursions are expressed by large changes of the cosmogenic nuclide beryllium-10 ( 10 Be) production rates. Authigenic 10 Be/ 9 Be ratios (proxy of atmospheric 10 Be production) from oceanic cores therefore complete the classical information derived from relative paleointensity (RPI) records. This study presents new authigenic 10 Be/ 9 Be ratio results obtained from cores MD05-2920 and MD05-2930 collected in the west equatorial Pacific Ocean. Be ratios from cores MD05-2920, MD05-2930 and MD90-0961 have been stacked and averaged. Variations of the authigenic 10 Be/ 9 Be ratio are analyzed and compared with the geomagnetic dipole low series reported from global RPI stacks. The largest 10 Be overproduction episodes are related to dipole field collapses (below a threshold of 2 × 10 22  Am 2 ) associated with the Brunhes/Matuyama reversal, the Laschamp (41 ka) excursion, and the Iceland Basin event (190 ka). Other significant 10 Be production peaks are correlated to geomagnetic excursions reported in literature. The record was then calibrated by using absolute dipole moment values drawn from the Geomagia and Pint paleointensity value databases. The 10 Be-derived geomagnetic dipole moment record, independent from sedimentary paleomagnetic data, covers the Brunhes-Matuyama transition and the whole Brunhes Chron. It provides new and complementary data on the amplitude and timing of millennial-scale geomagnetic dipole moment variations and particularly on dipole moment collapses triggering polarity instabilities.

Terahertz response of dipolar impurities in polar liquids: On anomalous dielectric absorption of protein solutions

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.

2010-02-01

A theory of radiation absorption by dielectric mixtures is presented. The coarse-grained formulation is based on the wave-vector-dependent correlation functions of molecular dipoles of the host polar liquid and a density structure factor of the solutes. A nonlinear dependence of the dielectric absorption coefficient on the solute concentration is predicted and originates from the mutual polarization of the liquid surrounding the solutes by the collective field of the solute dipoles aligned along the radiation field. The theory is applied to terahertz absorption of hydrated saccharides and proteins. While the theory gives an excellent account of the observations for saccharides, without additional assumptions and fitting parameters, experimental absorption coefficient of protein solutions significantly exceeds theoretical calculations with dipole moment of the bare protein assigned to the solute and shows a peak against the protein concentration. A substantial polarization of protein’s hydration shell, resulting in a net dipole moment, is required to explain the disagreement between theory and experiment. When the correlation function of the total dipole moment of the protein with its hydration shell from numerical simulations is used in the analytical model, an absorption peak, qualitatively similar to that seen in experiment, is obtained. The existence and position of the peak are sensitive to the specifics of the protein-protein interactions. Numerical testing of the theory requires the combination of dielectric and small-angle scattering measurements. The calculations confirm that “elastic ferroelectric bag” of water shells observed in previous numerical simulations is required to explain terahertz dielectric measurements.

The magnetic structure of Co(NCNH)₂ as determined by (spin-polarized) neutron diffraction

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

Jacobs, Philipp; Houben, Andreas; Senyshyn, Anatoliy

The magnetic structure of Co(NCNH)₂ has been studied by neutron diffraction data below 10 K using the SPODI and DNS instruments at FRM II, Munich. There is an intensity change in the (1 1 0) and (0 2 0) reflections around 4 K, to be attributed to the onset of a magnetic ordering of the Co²⁺ spins. Four different spin orientations have been evaluated on the basis of Rietveld refinements, comprising antiferromagnetic as well as ferromagnetic ordering along all three crystallographic axes. Both residual values and supplementary susceptibility measurements evidence that only a ferromagnetic ordering with all Co²⁺ spins parallelmore » to the c axis is a suitable description of the low-temperature magnetic ground state of Co(NCNH)₂. The deviation of the magnetic moment derived by the Rietveld refinement from the expectancy value may be explained either by an incomplete saturation of the moment at temperatures slightly below the Curie temperature or by a small Jahn–Teller distortion. - Graphical abstract: The magnetic ground state of Co(NCNH)₂ has been clarified by (spin-polarized) neutron diffraction data at low temperatures. Intensity changes below 4 K arise due to the onset of ferromagnetic ordering of the Co²⁺ spins parallel to the c axis, corroborated by various (magnetic) Rietveld refinements. Highlights: • Powderous Co(NCNH)₂ has been subjected to (spin-polarized) neutron diffraction. • Magnetic susceptibility data of Co(NCNH)₂ have been collected. • Below 4 K, the magnetic moments align ferromagnetically with all Co²⁺ spins parallel to the c axis. • The magnetic susceptibility data yield an effective magnetic moment of 4.68 and a Weiss constant of -13(2) K. • The ferromagnetic Rietveld refinement leads to a magnetic moment of 2.6 which is close to the expectancy value of 3.« less

Determination of the proton spin structure functions for 0.05

NASA Astrophysics Data System (ADS)

Fersch, R. G.; Guler, N.; Bosted, P.; Deur, A.; Griffioen, K.; Keith, C.; Kuhn, S. E.; Minehart, R.; Prok, Y.; Adhikari, K. P.; Adhikari, S.; Akbar, Z.; Amaryan, M. J.; Anefalos Pereira, S.; Asryan, G.; Avakian, H.; Ball, J.; Balossino, I.; Baltzell, N. A.; Battaglieri, M.; Bedlinskiy, I.; Biselli, A. S.; Briscoe, W. J.; Brooks, W. K.; Bültmann, S.; Burkert, V. D.; Thanh Cao, Frank; Carman, D. S.; Careccia, S.; Celentano, A.; Chandavar, S.; Charles, G.; Chetry, T.; Ciullo, G.; Clark, L.; Colaneri, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Cortes, O.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Djalali, C.; Dodge, G. E.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fanchini, E.; Fedotov, G.; Filippi, A.; Fleming, J. A.; Forest, T. A.; Garçon, M.; Gavalian, G.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Gleason, C.; Golovatch, E.; Gothe, R. W.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Hattawy, M.; Heddle, D.; Hicks, K.; Holtrop, M.; Hughes, S. M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jenkins, D.; Joo, K.; Keller, D.; Khachatryan, G.; Khachatryan, M.; Khandaker, M.; Kim, A.; Kim, W.; Klein, A.; Klein, F. J.; Kubarovsky, V.; Lagerquist, V. G.; Lanza, L.; Lenisa, P.; Livingston, K.; Lu, H. Y.; McKinnon, B.; Meyer, C. A.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Movsisyan, A.; Munoz Camacho, C.; Murdoch, G.; Nadel-Turonski, P.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Paolone, M.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Phelps, W.; Pierce, J.; Pisano, S.; Pogorelko, O.; Price, J. W.; Protopopescu, D.; Raue, B. A.; Ripani, M.; Riser, D.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Sabatié, F.; Salgado, C.; Schumacher, R. A.; Sharabian, Y. G.; Simonyan, A.; Skorodumina, Iu.; Smith, G. D.; Sokhan, D.; Sparveris, N.; Stankovic, I.; Stepanyan, S.; Strakovsky, I. I.; Strauch, S.; Taiuti, M.; Tian, Ye; Torayev, B.; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Wei, X.; Weinstein, L. B.; Zachariou, N.; Zhang, J.; CLAS Collaboration

2017-12-01

We present the results of our final analysis of the full data set of g1p(Q2) , the spin structure function of the proton, collected using CLAS at Jefferson Laboratory in 2000-2001. Polarized electrons with energies of 1.6, 2.5, 4.2, and 5.7 GeV were scattered from proton targets (NH153 dynamically polarized along the beam direction) and detected with CLAS. From the measured double spin asymmetries, we extracted virtual photon asymmetries A1p and A2p and spin structure functions g1p and g2p over a wide kinematic range (0.05 GeV2

Polarization speckle imaging as a potential technique for in vivo skin cancer detection.

PubMed

Tchvialeva, Lioudmila; Dhadwal, Gurbir; Lui, Harvey; Kalia, Sunil; Zeng, Haishan; McLean, David I; Lee, Tim K

2013-06-01

Skin cancer is the most common cancer in the Western world. In order to accurately detect the disease, especially malignant melanoma-the most fatal form of skin cancer-at an early stage when the prognosis is excellent, there is an urgent need to develop noninvasive early detection methods. We believe that polarization speckle patterns, defined as a spatial distribution of depolarization ratio of traditional speckle patterns, can be an important tool for skin cancer detection. To demonstrate our technique, we conduct a large in vivo clinical study of 214 skin lesions, and show that statistical moments of the polarization speckle pattern could differentiate different types of skin lesions, including three common types of skin cancers, malignant melanoma, squamous cell carcinoma, basal cell carcinoma, and two benign lesions, melanocytic nevus and seborrheic keratoses. In particular, the fourth order moment achieves better or similar sensitivity and specificity than many well-known and accepted optical techniques used to differentiate melanoma and seborrheic keratosis.

A Study of Particle Beam Spin Dynamics for High Precision Experiments

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

Fiedler, Andrew J.

In the search for physics beyond the Standard Model, high precision experiments to measure fundamental properties of particles are an important frontier. One group of such measurements involves magnetic dipole moment (MDM) values as well as searching for an electric dipole moment (EDM), both of which could provide insights about how particles interact with their environment at the quantum level and if there are undiscovered new particles. For these types of high precision experiments, minimizing statistical uncertainties in the measurements plays a critical role. \\\\ \\indent This work leverages computer simulations to quantify the effects of statistical uncertainty for experimentsmore » investigating spin dynamics. In it, analysis of beam properties and lattice design effects on the polarization of the beam is performed. As a case study, the beam lines that will provide polarized muon beams to the Fermilab Muon \\emph{g}-2 experiment are analyzed to determine the effects of correlations between the phase space variables and the overall polarization of the muon beam.« less

The hadronic vacuum polarization contribution to the muon g - 2 from lattice QCD

NASA Astrophysics Data System (ADS)

Morte, M. Della; Francis, A.; Gülpers, V.; Herdoíza, G.; von Hippel, G.; Horch, H.; Jäger, B.; Meyer, H. B.; Nyffeler, A.; Wittig, H.

2017-10-01

We present a calculation of the hadronic vacuum polarization contribution to the muon anomalous magnetic moment, a μ hvp , in lattice QCD employing dynamical up and down quarks. We focus on controlling the infrared regime of the vacuum polarization function. To this end we employ several complementary approaches, including Padé fits, time moments and the time-momentum representation. We correct our results for finite-volume effects by combining the Gounaris-Sakurai parameterization of the timelike pion form factor with the Lüscher formalism. On a subset of our ensembles we have derived an upper bound on the magnitude of quark-disconnected diagrams and found that they decrease the estimate for a μ hvp by at most 2%. Our final result is {a}_{μ}^{hvp} = (654 ± {32}{^{-23}}^{+21}) ·10-10, where the first error is statistical, and the second denotes the combined systematic uncertainty. Based on our findings we discuss the prospects for determining a μ hvp with sub-percent precision.

Polarization speckle imaging as a potential technique for in vivo skin cancer detection

NASA Astrophysics Data System (ADS)

Tchvialeva, Lioudmila; Dhadwal, Gurbir; Lui, Harvey; Kalia, Sunil; Zeng, Haishan; McLean, David I.; Lee, Tim K.

2013-06-01

Skin cancer is the most common cancer in the Western world. In order to accurately detect the disease, especially malignant melanoma-the most fatal form of skin cancer-at an early stage when the prognosis is excellent, there is an urgent need to develop noninvasive early detection methods. We believe that polarization speckle patterns, defined as a spatial distribution of depolarization ratio of traditional speckle patterns, can be an important tool for skin cancer detection. To demonstrate our technique, we conduct a large in vivo clinical study of 214 skin lesions, and show that statistical moments of the polarization speckle pattern could differentiate different types of skin lesions, including three common types of skin cancers, malignant melanoma, squamous cell carcinoma, basal cell carcinoma, and two benign lesions, melanocytic nevus and seborrheic keratoses. In particular, the fourth order moment achieves better or similar sensitivity and specificity than many well-known and accepted optical techniques used to differentiate melanoma and seborrheic keratosis.

Statistical analysis of polarization-inhomogeneous Fourier spectra of laser radiation scattered by human skin in the tasks of differentiation of benign and malignant formations

NASA Astrophysics Data System (ADS)

Ushenko, Alexander G.; Dubolazov, Alexander V.; Ushenko, Vladimir A.; Novakovskaya, Olga Y.

2016-07-01

The optical model of formation of polarization structure of laser radiation scattered by polycrystalline networks of human skin in Fourier plane was elaborated. The results of investigation of the values of statistical (statistical moments of the 1st to 4th order) parameters of polarization-inhomogeneous images of skin surface in Fourier plane were presented. The diagnostic criteria of pathological process in human skin and its severity degree differentiation were determined.

Polarization-Dependent Interference of Coherent Scattering from Orthogonal Dipole Moments of a Resonantly Excited Quantum Dot.

PubMed

Chen, Disheng; Lander, Gary R; Solomon, Glenn S; Flagg, Edward B

2017-01-20

Resonant photoluminescence excitation (RPLE) spectra of a neutral InGaAs quantum dot show unconventional line shapes that depend on the detection polarization. We characterize this phenomenon by performing polarization-dependent RPLE measurements and simulating the measured spectra with a three-level quantum model. The spectra are explained by interference between fields coherently scattered from the two fine structure split exciton states, and the measurements enable extraction of the steady-state coherence between the two exciton states.

Study of the growth and pyroelectric properties of TGS crystals doped with aniline-family dipolar molecules

NASA Astrophysics Data System (ADS)

Zhang, Kecong; Song, Jiancheng; Wang, Min; Fang, Changshui; Lu, Mengkai

1987-04-01

TGS crystals doped with aniline-family dipolar molecules (aniline, 2-aminobenzoic acid, 3-aminobenzoic acid, 3-aminobenzene-sulphonic acid, 4-aminobenzenesulphonic acid and 4-nitroraniline) have been grown by the slow-cooling solution method. The influence of these dopants on the growth habits, crystal morphology pyroelectric properties, and structure parameters of TGS crystals has been systematically investigated. The effects of the domain structure of the seed crystal on the pyroelectric properties of the doped crystals have been studied. It is found that the spontaneous polarization (P), pyroelectric coefficient (lambda), and internal bias field of the doped crystals are slightly higher than those of the pure TGS, and the larger the dipole moment of the dopant molecule, the higher the P and lambda of the doped TGS crystal.

Linearly polarized light emission from quantum dots with plasmonic nanoantenna arrays.

PubMed

Ren, Mengxin; Chen, Mo; Wu, Wei; Zhang, Lihui; Liu, Junku; Pi, Biao; Zhang, Xinzheng; Li, Qunqing; Fan, Shoushan; Xu, Jingjun

2015-05-13

Polarizers provide convenience in generating polarized light, meanwhile their adoption raises problems of extra weight, cost, and energy loss. Aiming to realize polarizer-free polarized light sources, herein, we present a plasmonic approach to achieve direct generation of linearly polarized optical waves at the nanometer scale. Periodic slot nanoantenna arrays are fabricated, which are driven by the transition dipole moments of luminescent semiconductor quantum dots. By harnessing interactions between quantum dots and scattered fields from the nanoantennas, spontaneous emission with a high degree of linear polarization is achieved from such hybrid antenna system with polarization perpendicular to antenna slot. We also demonstrate that the polarization is engineerable in aspects of both spectrum and magnitude by tailoring plasmonic resonance of the antenna arrays. Our findings will establish a basis for the development of innovative polarized light-emitting devices, which are useful in optical displays, spectroscopic techniques, optical telecommunications, and so forth.

Geodetic data support trapping of ethane in Titan's polar crust

NASA Astrophysics Data System (ADS)

Sotin, Christophe; Rambaux, Nicolas

2016-04-01

Titan's surface is characterized by polar depressions that strongly influence interpretations of the gravity data. This study investigates several geodynamical models that can explain these depressions. For each model, the values of the three moments of inertia are computed numerically by discretizing the interior in spherical coordinates. The study shows that a Pratt model where the polar subsurface is made of ethane clathrates can explain the polar depression, the abrupt jump in altitude at about 60 degrees latitude, and the values of the degree 2 gravity coefficients. This model, proposed by Choukroun and Sotin [1], is based on the stability of ethane clathrate hydrates relative to methane clathrate hydrates. In addition to fitting the geodetic data, it explains the absence of ethane in Titan's atmosphere although ethane is the main product of the photolysis of methane. Other geophysical models based on latitudinal variations in the tidal heating production or in the heat flux at the base of the icy crust do not provide such a good match to the gravity and topographic observations. The ethane-clathrate model predicts that all the ethane produced by photolysis of methane at the present rate during the last billion years could be stored in the polar subsurface. It is consistent with the age of Titan's surface and that of Titan's atmospheric methane inferred from geological and geochemical observations by the Cassini/Huygens mission. The present study also emphasizes the role of mass anomalies on the interpretation of the degree 2 gravity coefficients. It shows that for Titan, a slow rotator, the values of the two equatorial moments of inertia (MoI) are largely affected by the polar depressions whereas the value of polar MoI is not. Therefore, as pointed out by previous calculations [2], calculating the moment of inertia (MoI) factor from the value of J2 could lead to major errors. This is not the case for our preferred Titan's model for which the negative polar mass anomalies are compensated at shallow depth by denser ethane-rich clathrates. This work has been performed at the Jet Propulsion Laboratory, California Institute of Technology, under contract to NASA. [1] Choukroun M. and Sotin C. (2012) GRL, 39, L04201. [2] Gao and Stevenson (2013) Icarus, 226, 1185-1191.

Kurtosis parameter K of arbitrary electromagnetic beams propagating through non-Kolmogorov turbulence

NASA Astrophysics Data System (ADS)

Xu, Yonggen; Dan, Youquan; Yu, Jiayi; Cai, Yangjian

2017-10-01

General analytical formulae for the kurtosis parameters K (K parameters) of the arbitrary electromagnetic (AE) beams propagating through non-Kolmogorov turbulence are derived, and according to the unified theory of polarization and coherence, the effect of degree of polarization (DOP) of an electromagnetic beam on the K parameter is studied. The analytical formulae can be given by the second-order moments and fourth-order moments of the Wigner distribution function for AE beams at source plane, the two turbulence quantities relating to the spatial power spectrum, and the propagation distance. Our results can also be extended to the arbitrary beams and the arbitrary spatial power spectra of Kolmogorov turbulence or non-Kolmogorov turbulence. Taking the stochastic electromagnetic Gaussian Schell-model (SEGSM) beam as an example, the numerical examples indicate that the K parameters of a SEGSM beam in non-Kolmogorov turbulence depend on propagation distance, the beam parameters and turbulence parameters. The K parameter of a SEGM beam is more sensitive to effect of turbulence with smaller inner scale and generalized exponent parameter. A non-polarized light has the strongest ability of resisting turbulence (ART), however, a fully polarized SEGSM beam has the poorest ART.

Scaling rates of true polar wander in convecting planets and moons

NASA Astrophysics Data System (ADS)

Rose, Ian; Buffett, Bruce

2017-12-01

Mass redistribution in the convecting mantle of a planet causes perturbations in its moment of inertia tensor. Conservation of angular momentum dictates that these perturbations change the direction of the rotation vector of the planet, a process known as true polar wander (TPW). Although the existence of TPW on Earth is firmly established, its rate and magnitude over geologic time scales remain controversial. Here we present scaling analyses and numerical simulations of TPW due to mantle convection over a range of parameter space relevant to planetary interiors. For simple rotating convection, we identify a set of dimensionless parameters that fully characterize true polar wander. We use these parameters to define timescales for the growth of moment of inertia perturbations due to convection and for their relaxation due to true polar wander. These timescales, as well as the relative sizes of convective anomalies, control the rate and magnitude of TPW. This analysis also clarifies the nature of so called "inertial interchange" TPW events, and relates them to a broader class of events that enable large and often rapid TPW. We expect these events to have been more frequent in Earth's past.

SCF and CI calculations of the dipole moment function of ozone. [Self-Consistent Field and Configuration-Interaction

NASA Technical Reports Server (NTRS)

Curtiss, L. A.; Langhoff, S. R.; Carney, G. D.

1979-01-01

The constant and linear terms in a Taylor series expansion of the dipole moment function of the ground state of ozone are calculated with Cartesian Gaussian basis sets ranging in quality from minimal to double zeta plus polarization. Results are presented at both the self-consistent field and configuration-interaction levels. Although the algebraic signs of the linear dipole moment derivatives are all established to be positive, the absolute magnitudes of these quantities, as well as the infrared intensities calculated from them, vary considerably with the level of theory.

Wavelet analysis of polarization maps of polycrystalline biological fluids networks

NASA Astrophysics Data System (ADS)

Ushenko, Y. A.

2011-12-01

The optical model of human joints synovial fluid is proposed. The statistic (statistic moments), correlation (autocorrelation function) and self-similar (Log-Log dependencies of power spectrum) structure of polarization two-dimensional distributions (polarization maps) of synovial fluid has been analyzed. It has been shown that differentiation of polarization maps of joint synovial fluid with different physiological state samples is expected of scale-discriminative analysis. To mark out of small-scale domain structure of synovial fluid polarization maps, the wavelet analysis has been used. The set of parameters, which characterize statistic, correlation and self-similar structure of wavelet coefficients' distributions of different scales of polarization domains for diagnostics and differentiation of polycrystalline network transformation connected with the pathological processes, has been determined.

Investigation of polarization effects in the gramicidin A channel from ab initio molecular dynamics simulations.

PubMed

Timko, Jeff; Kuyucak, Serdar

2012-11-28

Polarization is an important component of molecular interactions and is expected to play a particularly significant role in inhomogeneous environments such as pores and interfaces. Here we investigate the effects of polarization in the gramicidin A ion channel by performing quantum mechanics/molecular mechanics molecular dynamics (MD) simulations and comparing the results with those obtained from classical MD simulations with non-polarizable force fields. We consider the dipole moments of backbone carbonyl groups and channel water molecules as well as a number of structural quantities of interest. The ab initio results show that the dipole moments of the carbonyl groups and water molecules are highly sensitive to the hydrogen bonds (H-bonds) they participate in. In the absence of a K(+) ion, water molecules in the channel are quite mobile, making the H-bond network highly dynamic. A central K(+) ion acts as an anchor for the channel waters, stabilizing the H-bond network and thereby increasing their average dipole moments. In contrast, the K(+) ion has little effect on the dipole moments of the neighboring carbonyl groups. The weakness of the ion-peptide interactions helps to explain the near diffusion-rate conductance of K(+) ions through the channel. We also address the sampling issue in relatively short ab initio MD simulations. Results obtained from a continuous 20 ps ab initio MD simulation are compared with those generated by sampling ten windows from a much longer classical MD simulation and running each window for 2 ps with ab initio MD. Both methods yield similar results for a number of quantities of interest, indicating that fluctuations are fast enough to justify the short ab initio MD simulations.

Lunar true polar wander inferred from polar hydrogen.

PubMed

Siegler, M A; Miller, R S; Keane, J T; Laneuville, M; Paige, D A; Matsuyama, I; Lawrence, D J; Crotts, A; Poston, M J

2016-03-24

The earliest dynamic and thermal history of the Moon is not well understood. The hydrogen content of deposits near the lunar poles may yield insight into this history, because these deposits (which are probably composed of water ice) survive only if they remain in permanent shadow. If the orientation of the Moon has changed, then the locations of the shadowed regions will also have changed. The polar hydrogen deposits have been mapped by orbiting neutron spectrometers, and their observed spatial distribution does not match the expected distribution of water ice inferred from present-day lunar temperatures. This finding is in contrast to the distribution of volatiles observed in similar thermal environments at Mercury's poles. Here we show that polar hydrogen preserves evidence that the spin axis of the Moon has shifted: the hydrogen deposits are antipodal and displaced equally from each pole along opposite longitudes. From the direction and magnitude of the inferred reorientation, and from analysis of the moments of inertia of the Moon, we hypothesize that this change in the spin axis, known as true polar wander, was caused by a low-density thermal anomaly beneath the Procellarum region. Radiogenic heating within this region resulted in the bulk of lunar mare volcanism and altered the density structure of the Moon, changing its moments of inertia. This resulted in true polar wander consistent with the observed remnant polar hydrogen. This thermal anomaly still exists and, in part, controls the current orientation of the Moon. The Procellarum region was most geologically active early in lunar history, which implies that polar wander initiated billions of years ago and that a large portion of the measured polar hydrogen is ancient, recording early delivery of water to the inner Solar System. Our hypothesis provides an explanation for the antipodal distribution of lunar polar hydrogen, and connects polar volatiles to the geologic and geophysical evolution of the Moon and the bombardment history of the early Solar System.

Stability and molecular properties of the boron-nitrogen alternating analogs of azulene and naphthalene: a computational study.

PubMed

Catão, Anderson José Lopes; López-Castillo, Alejandro

2017-04-01

In this work, the spectroscopic information, stability and aromaticity of the boron-nitrogen azulene and naphthalene molecules are provided by the use of CC2 (geometry optimization, dipole moment, UV-vis spectrum calculations) and DFT (vibrational spectrum and NMR calculations) methodologies. One isomer of the investigated boron-nitrogen naphthalene (boroazanaphthalene) and two isomers of boron-nitrogen azulene, 1,3,4,6,8-pentaaza-2,3a,5,7,8a-pentaboraazulene (BN-azulene) and 2,3a,5,7,8a-pentaaza-1,3,4,6,8- pentaboraazulene (NB-azulene), are stable systems. However, these molecules have different properties, i.e., different stability, dipole moment, and aromaticity based on the NICS approach. BN-naphthalene has a high dipole moment magnitude showing high polar character, while naphthalene is apolar. BN- and NB-azulene are weakly polar, while ordinary azulene is highly polar in character. Also, substitution of C atoms by B and N atoms decreases the aromaticity. In the case of NB-azulene, the seven-membered ring has anti-aromaticity behavior while both rings of BN-azulene exhibit aromaticity. We expect that the new theoretical data provided in this work will be useful in identifying and characterizing experimentally the compounds investigated, and in helping our understanding of the chemistry of boron-nitrogen molecules. Graphical abstract Boron-nitrogen alternating analogs of azulene. Spectral distinction between isomers.

Ferroelectricity with Ferromagnetic Moment in Orthoferrites

NASA Astrophysics Data System (ADS)

Tokunaga, Yusuke

2010-03-01

Exotic multiferroics with gigantic magnetoelectric (ME) coupling have recently been attracting broad interests from the viewpoints of both fundamental physics and possible technological application to next-generation spintronic devices. To attain a strong ME coupling, it would be preferable that the ferroelectric order is induced by the magnetic order. Nevertheless, the magnetically induced ferroelectric state with the spontaneous ferromagnetic moment is still quite rare apart from a few conical-spin multiferroics. To further explore multiferroic materials with both the strong ME coupling and spontaneous magnetization, we focused on materials with magnetic structures other than conical structure. In this talk we present that the most orthodox perovskite ferrite systems DyFeO3 and GdFeO3 have ``ferromagnetic-ferroelectric,'' i.e., genuinely multiferroic states in which weak ferromagnetic moment is induced by Dzyaloshinskii-Moriya interaction working on Fe spins and electric polarization originates from the striction due to symmetric exchange interaction between Fe and Dy (Gd) spins [1] [2]. Both materials showed large electric polarization (>0.1 μC/cm^2) and strong ME coupling. In addition, we succeeded in mutual control of magnetization and polarization with electric- and magnetic-fields in GdFeO3, and attributed the controllability to novel, composite domain wall structure. [4pt] [1] Y. Tokunaga et al., Phys. Rev. Lett. 101, 097205 (2008). [0pt] [2] Y. Tokunaga et al., Nature Mater. 8, 558 (2009).

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.

Application of the finite-field coupled-cluster method to calculate molecular properties relevant to electron electric-dipole-moment searches

NASA Astrophysics Data System (ADS)

Abe, M.; Prasannaa, V. S.; Das, B. P.

2018-03-01

Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (e EDM ), in order to explore physics beyond the standard model, requires a synergy of molecular experiment and theory. Recent advances in experiment in this field have motivated us to implement a finite-field coupled-cluster (FFCC) approach. This work has distinct advantages over the theoretical methods that we had used earlier in the analysis of e EDM searches. We used relativistic FFCC to calculate molecular properties of interest to e EDM experiments, that is, the effective electric field (Eeff) and the permanent electric dipole moment (PDM). We theoretically determine these quantities for the alkaline-earth monofluorides (AEMs), the mercury monohalides (Hg X ), and PbF. The latter two systems, as well as BaF from the AEMs, are of interest to e EDM searches. We also report the calculation of the properties using a relativistic finite-field coupled-cluster approach with single, double, and partial triples' excitations, which is considered to be the gold standard of electronic structure calculations. We also present a detailed error estimate, including errors that stem from our choice of basis sets, and higher-order correlation effects.

Spin polarization and magnetic dichroism in photoemission from core and valence states in localized magnetic systems. IV. Core-hole polarization in resonant photoemission

NASA Astrophysics Data System (ADS)

van der Laan, Gerrit; Thole, B. T.

1995-12-01

A simple theory is presented for core-hole polarization probed by resonant photoemission in a two-steps approximation. After excitation from a core level to the valence shell, the core hole decays into two shallower core holes under emission of an electron. The nonspherical core hole and the final state selected cause a specific angle and spin distribution of the emitted electron. The experiment is characterized by the ground-state moments, the polarization of the light, and the spin and angular distribution of the emitted electron. The intensity is a sum over ground-state expectation values of tensor operators times the probability to create a polarized core hole using polarized light, times the probability for decay of such a core hole into the final state. We give general expressions for the angle- and spin-dependent intensities in various regimes of Coulomb and spin-orbit interaction: LS, LSJ, and jjJ coupling. The core-polarization analysis, which generalizes the use of sum rules in x-ray absorption spectroscopy where the integrated peak intensities give ground-state expectation values of the spin and orbital moment operators, makes it possible to measure different linear combinations of these operators. As an application the 2p3/23p3p decay in ferromagnetic nickel is calculated using Hartree-Fock values for the radial matrix elements and phase factors, and compared with experiment, the dichroism is smaller in the 3P final state but stronger in the 1D, 1S peak.

Polarization-singular processing of biological layers laser images to diagnose and classify their optical properties

NASA Astrophysics Data System (ADS)

Ushenko, Yu. O.; Telenga, O. Y.

2011-09-01

Presented in this work are the results of investigation aimed at analysis of coordinate distributions for azimuths and ellipticity of polarization (polarization maps) in blood plasma layers laser images of three groups of patients: healthy (group 1), with dysplasia (group 2) and cancer of cervix uteri (group 3). To characterize polarization maps for all groups of samples, the authors have offered to use three groups of parameters: statistical moments of the first to the fourth orders, autocorrelation functions, logarithmic dependences for power spectra related to distributions of azimuths and ellipticity of polarization inherent to blood plasma laser images. Ascertained are the criteria for diagnostics and differentiation of cervix uteri pathological changes.

Electrically rotating suspended films of polar liquids

NASA Astrophysics Data System (ADS)

Shirsavar, R.; Amjadi, A.; Tonddast-Navaei, A.; Ejtehadi, M. R.

2011-02-01

Controlled rotation of a suspended soap water film, simply generated by applying an electric field, has been reported recently. The film rotates when the applied electric field exceeds a certain threshold. In this study, we investigate the phenomenon in films made of a number of other liquids with various physical and chemical properties. Our measurements show that the intrinsic electrical dipole moments of the liquid molecules seems to be vital for the corresponding film rotation. All the investigated rotating liquids have a molecular electric dipole moment of above 1 Debye, while weakly polar liquids do not rotate. However, the liquids investigated here cover a wide range of physical parameters (e.g. viscosity, density, conductivity, etc.). So far, no significant correlation has been observed between the electric field thresholds and macroscopic properties of the liquids.

Aurora on Uranus - A Faraday disc dynamo mechanism

NASA Technical Reports Server (NTRS)

Hill, T. W.; Rassbach, M. E.; Dessler, A. J.

1983-01-01

A mechanism is proposed whereby the solar wind flowing past the magnetosphere of Uranus causes a Faraday disk dynamo topology to be established and power to be extracted from the kinetic energy of rotation of Uranus. An immediate consequence of this dynamo is the generation of Birkeland currents that flow in and out of the sunlit polar cap with the accompanying production of polar aurora. The power extracted from planetary rotation is calculated as a function of planetary dipole magnetic moment and the ionospheric conductivity of Uranus. For plausible values of ionospheric conductivity, the observed auroral power requires a magnetic moment corresponding to a surface equatorial field of the order of 4 Gauss, slightly larger than the value 1.8 Gauss given by the empirical 'magnetic Bodes law'.

Authigenic 10Be/9Be ratio signatures of the cosmogenic nuclide production linked to geomagnetic dipole moment variation since the Brunhes/Matuyama boundary

PubMed Central

Thouveny, Nicolas; Bourlès, Didier L.; Valet, Jean‐Pierre; Bassinot, Franck; Ménabréaz, Lucie; Guillou, Valéry; Choy, Sandrine; Beaufort, Luc

2016-01-01

Abstract Geomagnetic dipole moment variations associated with polarity reversals and excursions are expressed by large changes of the cosmogenic nuclide beryllium‐10 (10Be) production rates. Authigenic 10Be/9Be ratios (proxy of atmospheric 10Be production) from oceanic cores therefore complete the classical information derived from relative paleointensity (RPI) records. This study presents new authigenic 10Be/9Be ratio results obtained from cores MD05‐2920 and MD05‐2930 collected in the west equatorial Pacific Ocean. Be ratios from cores MD05‐2920, MD05‐2930 and MD90‐0961 have been stacked and averaged. Variations of the authigenic 10Be/9Be ratio are analyzed and compared with the geomagnetic dipole low series reported from global RPI stacks. The largest 10Be overproduction episodes are related to dipole field collapses (below a threshold of 2 × 1022 Am2) associated with the Brunhes/Matuyama reversal, the Laschamp (41 ka) excursion, and the Iceland Basin event (190 ka). Other significant 10Be production peaks are correlated to geomagnetic excursions reported in literature. The record was then calibrated by using absolute dipole moment values drawn from the Geomagia and Pint paleointensity value databases. The 10Be‐derived geomagnetic dipole moment record, independent from sedimentary paleomagnetic data, covers the Brunhes‐Matuyama transition and the whole Brunhes Chron. It provides new and complementary data on the amplitude and timing of millennial‐scale geomagnetic dipole moment variations and particularly on dipole moment collapses triggering polarity instabilities. PMID:28163989

Electronic structure and magnetic properties of dilute U impurities in metals

NASA Astrophysics Data System (ADS)

Mohanta, S. K.; Cottenier, S.; Mishra, S. N.

2016-05-01

The electronic structure and magnetic moment of dilute U impurity in metallic hosts have been calculated from first principles. The calculations have been performed within local density approximation of the density functional theory using Augmented plane wave+local orbital (APW+lo) technique, taking account of spin-orbit coupling and Coulomb correlation through LDA+U approach. We present here our results for the local density of states, magnetic moment and hyperfine field calculated for an isolated U impurity embedded in hosts with sp-, d- and f-type conduction electrons. The results of our systematic study provide a comprehensive insight on the pressure dependence of 5f local magnetism in metallic systems. The unpolarized local density of states (LDOS), analyzed within the frame work of Stoner model suggest the occurrence of local moment for U in sp-elements, noble metals and f-block hosts like La, Ce, Lu and Th. In contrast, U is predicted to be nonmagnetic in most transition metal hosts except in Sc, Ti, Y, Zr, and Hf consistent with the results obtained from spin polarized calculation. The spin and orbital magnetic moments of U computed within the frame of LDA+U formalism show a scaling behavior with lattice compression. We have also computed the spin and orbital hyperfine fields and a detail analysis has been carried out. The host dependent trends for the magnetic moment, hyperfine field and 5f occupation reflect pressure induced change of electronic structure with U valency changing from 3+ to 4+ under lattice compression. In addition, we have made a detailed analysis of the impurity induced host spin polarization suggesting qualitatively different roles of f-band electrons on moment stability. The results presented in this work would be helpful towards understanding magnetism and spin fluctuation in U based alloys.

Moments of the spin structure functions g1p and g1d for 0.05

NASA Astrophysics Data System (ADS)

Clas Collaboration; Prok, Y.; Bosted, P.; Burkert, V. D.; Deur, A.; Dharmawardane, K. V.; Dodge, G. E.; Griffioen, K. A.; Kuhn, S. E.; Minehart, R.; Adams, G.; Amaryan, M. J.; Anghinolfi, M.; Asryan, G.; Audit, G.; Avakian, H.; Bagdasaryan, H.; Baillie, N.; Ball, J. P.; Baltzell, N. A.; Barrow, S.; Battaglieri, M.; Beard, K.; Bedlinskiy, I.; Bektasoglu, M.; Bellis, M.; Benmouna, N.; Berman, B. L.; Biselli, A. S.; Blaszczyk, L.; Boiarinov, S.; Bonner, B. E.; Bouchigny, S.; Bradford, R.; Branford, D.; Briscoe, W. J.; Brooks, W. K.; Bültmann, S.; Butuceanu, C.; Calarco, J. R.; Careccia, S. L.; Carman, D. S.; Casey, L.; Cazes, A.; Chen, S.; Cheng, L.; Cole, P. L.; Collins, P.; Coltharp, P.; Cords, D.; Corvisiero, P.; Crabb, D.; Crede, V.; Cummings, J. P.; Dale, D.; Dashyan, N.; de Masi, R.; de Vita, R.; de Sanctis, E.; Degtyarenko, P. V.; Denizli, H.; Dennis, L.; Dhuga, K. S.; Dickson, R.; Djalali, C.; Doughty, D.; Dugger, M.; Dytman, S.; Dzyubak, O. P.; Egiyan, H.; Egiyan, K. S.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fatemi, R.; Fedotov, G.; Feldman, G.; Fersh, R. G.; Feuerbach, R. J.; Forest, T. A.; Fradi, A.; Funsten, H.; Garçon, M.; Gavalian, G.; Gevorgyan, N.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Golovatch, E.; Gothe, R. W.; Guidal, M.; Guillo, M.; Guler, N.; Guo, L.; Gyurjyan, V.; Hadjidakis, C.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Hardie, J.; Hassall, N.; Heddle, D.; Hersman, F. W.; Hicks, K.; Hleiqawi, I.; Holtrop, M.; Huertas, M.; Hyde-Wright, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Ito, M. M.; Jenkins, D.; Jo, H. S.; Johnstone, J. R.; Joo, K.; Juengst, H. G.; Kalantarians, N.; Keith, C. D.; Kellie, J. D.; Khandaker, M.; Kim, K. Y.; Kim, K.; Kim, W.; Klein, A.; Klein, F. J.; Klusman, M.; Kossov, M.; Krahn, Z.; Kramer, L. H.; Kubarovsky, V.; Kuhn, J.; Kuleshov, S. V.; Kuznetsov, V.; Lachniet, J.; Laget, J. M.; Langheinrich, J.; Lawrence, D.; Li, Ji; Lima, A. C. S.; Livingston, K.; Lu, H. Y.; Lukashin, K.; MacCormick, M.; Marchand, C.; Markov, N.; Mattione, P.; McAleer, S.; McKinnon, B.; McNabb, J. W. C.; Mecking, B. A.; Mestayer, M. D.; Meyer, C. A.; Mibe, T.; Mikhailov, K.; Mirazita, M.; Miskimen, R.; Mokeev, V.; Morand, L.; Moreno, B.; Moriya, K.; Morrow, S. A.; Moteabbed, M.; Mueller, J.; Munevar, E.; Mutchler, G. S.; Nadel-Turonski, P.; Nasseripour, R.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Niczyporuk, B. B.; Niroula, M. R.; Niyazov, R. A.; Nozar, M.; O'Rielly, G. V.; Osipenko, M.; Ostrovidov, A. I.; Park, K.; Pasyuk, E.; Paterson, C.; Pereira, S. Anefalos; Philips, S. A.; Pierce, J.; Pivnyuk, N.; Pocanic, D.; Pogorelko, O.; Popa, I.; Pozdniakov, S.; Preedom, B. M.; Price, J. W.; Procureur, S.; Protopopescu, D.; Qin, L. M.; Raue, B. A.; Riccardi, G.; Ricco, G.; Ripani, M.; Ritchie, B. G.; Rosner, G.; Rossi, P.; Rowntree, D.; Rubin, P. D.; Sabatié, F.; Salamanca, J.; Salgado, C.; Santoro, J. P.; Sapunenko, V.; Schumacher, R. A.; Seely, M. L.; Serov, V. S.; Sharabian, Y. G.; Sharov, D.; Shaw, J.; Shvedunov, N. V.; Skabelin, A. V.; Smith, E. S.; Smith, L. C.; Sober, D. I.; Sokhan, D.; Stavinsky, A.; Stepanyan, S. S.; Stepanyan, S.; Stokes, B. E.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Suleiman, R.; Taiuti, M.; Tedeschi, D. J.; Tkabladze, A.; Tkachenko, S.; Todor, L.; Ungaro, M.; Vineyard, M. F.; Vlassov, A. V.; Watts, D. P.; Weinstein, L. B.; Weygand, D. P.; Williams, M.; Wolin, E.; Wood, M. H.; Yegneswaran, A.; Yun, J.; Zana, L.; Zhang, J.; Zhao, B.; Zhao, Z. W.

2009-02-01

The spin structure functions g for the proton and the deuteron have been measured over a wide kinematic range in x and Q using 1.6 and 5.7 GeV longitudinally polarized electrons incident upon polarized NH3 and ND3 targets at Jefferson Lab. Scattered electrons were detected in the CEBAF Large Acceptance Spectrometer, for 0.05

A general moment expansion method for stochastic kinetic models

NASA Astrophysics Data System (ADS)

Ale, Angelique; Kirk, Paul; Stumpf, Michael P. H.

2013-05-01

Moment approximation methods are gaining increasing attention for their use in the approximation of the stochastic kinetics of chemical reaction systems. In this paper we derive a general moment expansion method for any type of propensities and which allows expansion up to any number of moments. For some chemical reaction systems, more than two moments are necessary to describe the dynamic properties of the system, which the linear noise approximation is unable to provide. Moreover, also for systems for which the mean does not have a strong dependence on higher order moments, moment approximation methods give information about higher order moments of the underlying probability distribution. We demonstrate the method using a dimerisation reaction, Michaelis-Menten kinetics and a model of an oscillating p53 system. We show that for the dimerisation reaction and Michaelis-Menten enzyme kinetics system higher order moments have limited influence on the estimation of the mean, while for the p53 system, the solution for the mean can require several moments to converge to the average obtained from many stochastic simulations. We also find that agreement between lower order moments does not guarantee that higher moments will agree. Compared to stochastic simulations, our approach is numerically highly efficient at capturing the behaviour of stochastic systems in terms of the average and higher moments, and we provide expressions for the computational cost for different system sizes and orders of approximation. We show how the moment expansion method can be employed to efficiently quantify parameter sensitivity. Finally we investigate the effects of using too few moments on parameter estimation, and provide guidance on how to estimate if the distribution can be accurately approximated using only a few moments.

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

One Pot Synthesis, Photophysical and X-ray Studies of Novel Highly Fluorescent Isoquinoline Derivatives with Higher Antibacterial Efficacy Based on the In-vitro and Density Functional Theory.

PubMed

Asiri, Abdullah M; Khan, Salman A; Al-Thaqafy, Saad H; Sharma, Kamlesh

2015-05-01

Series of cyano substituted isoquinoline dyes were synthesized by one-pot multicomponent reactions (MCRs) of aldehydes, malononitrile, 6-methoxy-1,2,3,4-tetrahydro-naphthalin-1-one and ammonium acetate. Results obtained from spectroscopic (FT-IR, (1)H-NMR, (13)C-NMR, EI-MS) and elemental analysis of synthesized compounds was in agreement with their chemical structures. Structure of the compound was further conformed by X-ray crystallographic. UV-vis and fluorescence spectroscopy measurements provided that all compounds are good absorbent and fluorescent. Fluorescence polarity study demonstrated that these compounds were sensitive to the polarity of the microenvironment provided by different solvents. In addition, spectroscopic and physicochemical parameters, including electronic absorption, extenction coefficient, Stokes shift, oscillator strength transition dipole moment and fluorescence quantum yield were investigated in order to explore the analytical potential of synthesized compounds. The anti-bacterial activity of these compounds were first studied in vitro by the disk diffusion assay against two Gram-positive and two Gram-negative bacteria. The minimum inhibitory concentration was then determined with the reference of standard drug chloramphenicol. The results displayed that compound 3 was better inhibitors of both types of the bacteria (Gram-positive and Gram-negative) than chloramphenicol. Furthermore, quantum chemistry calculations using DFT/6-31-G* level of theory confirm the results. Dipole moment and frontier molecular orbitals were also investigated.

Atomic-scale inversion of spin polarization at an organic-antiferromagnetic interface

NASA Astrophysics Data System (ADS)

Caffrey, Nuala M.; Ferriani, Paolo; Marocchi, Simone; Heinze, Stefan

2013-10-01

Using first-principles calculations, we show that the magnetic properties of a two-dimensional antiferromagnetic transition-metal surface are modified on the atomic scale by the adsorption of small organic molecules. We consider benzene (C6H6), cyclooctatetraene (C8H8), and a small transition-metal-benzene complex (BzV) adsorbed on a single atomic layer of Mn deposited on the W(110) surface—a surface which exhibits a nearly antiferromagnetic alignment of the magnetic moments in adjacent Mn rows. Due to the spin dependent hybridization of the molecular pz orbitals with the d states of the Mn monolayer, there is a significant reduction of the magnetic moments in the Mn film. Furthermore, the spin polarization at this organic-antiferromagnetic interface is found to be modulated on the atomic scale, both enhanced and inverted, as a result of the molecular adsorption. We show that this effect can be resolved by spin-polarized scanning tunneling microscopy (SP-STM). Our simulated SP-STM images display a spatially dependent spin resolved vacuum charge density above an adsorbed molecule—i.e., different regions above the molecule sustain different signs of spin polarization. While states with s and p symmetry dominate the vacuum charge density in the vicinity of the Fermi energy for the clean magnetic surface, we demonstrate that after a molecule is adsorbed those d states, which are normally suppressed due to their symmetry, can play a crucial role in the vacuum due to their interaction with the molecular orbitals. We also model the effect of small deviations from perfect antiferromagnetic ordering, induced by the slight canting of magnetic moments due to the spin spiral ground state of Mn/W(110).

Precise determination of the deuteron spin structure at low to moderate Q2 with CLAS and extraction of the neutron contribution

NASA Astrophysics Data System (ADS)

Guler, N.; Fersch, R. G.; Kuhn, S. E.; Bosted, P.; Griffioen, K. A.; Keith, C.; Minehart, R.; Prok, Y.; Adhikari, K. P.; Adikaram, D.; Amaryan, M. J.; Anderson, M. D.; Anefalos Pereira, S.; Avakian, H.; Ball, J.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A.; Briscoe, W. J.; Brooks, W. K.; Bültmann, S.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Colaneri, L.; Cole, P. L.; Contalbrigo, M.; Crabb, D.; Crede, V.; D'Angelo, A.; Dashyan, N.; Deur, A.; Djalali, C.; Dodge, G. E.; Dupre, R.; Alaoui, A. El; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Filippi, A.; Fleming, J. A.; Forest, T. A.; Garillon, B.; Garçon, M.; Gevorgyan, N.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Golovatch, E.; Gothe, R. W.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Harrison, N.; Hattawy, M.; Hicks, K.; Ho, D.; Holtrop, M.; Hughes, S. M.; Hyde, C. E.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jo, H. S.; Joo, K.; Joosten, S.; Keller, D.; Khandaker, M.; Kim, A.; Kim, W.; Klein, A.; Klein, F. J.; Kubarovsky, V.; Kuleshov, S. V.; Livingston, K.; Lu, H. Y.; Mayer, M.; MacGregor, I. J. D.; McKinnon, B.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Movsisyan, A.; Munoz Camacho, C.; Nadel-Turonski, P.; Net, L. A.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Park, K.; Pasyuk, E.; Pisano, S.; Pogorelko, O.; Price, J. W.; Procureur, S.; Ripani, M.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Sabatié, F.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seder, E.; Simonyan, A.; Skorodumina, Iu.; Sokhan, D.; Sparveris, N.; Strakovsky, I. I.; Strauch, S.; Sytnik, V.; Tian, Ye; Tkachenko, S.; Ungaro, M.; Voutier, E.; Walford, N. K.; Wei, X.; Weinstein, L. B.; Wood, M. H.; Zachariou, N.; Zana, L.; Zhang, J.; Zhao, Z. W.; Zonta, I.; CLAS Collaboration

2015-11-01

We present the final results for the deuteron spin structure functions obtained from the full data set collected in 2000-2001 with Jefferson Lab's continuous electron beam accelerator facility (CEBAF) using the CEBAF large acceptance spectrometer (CLAS). Polarized electrons with energies of 1.6, 2.5, 4.2, and 5.8 GeV were scattered from deuteron (15ND3 ) targets, dynamically polarized along the beam direction, and detected with CLAS. From the measured double-spin asymmetry, the virtual photon absorption asymmetry A1d and the polarized structure function g1d were extracted over a wide kinematic range (0.05 GeV2

Precise determination of the deuteron spin structure at low to moderate Q 2 with CLAS and extraction of the neutron contribution

DOE PAGES

Guler, N.; Fersch, R. G.; Kuhn, S. E.; ...

2015-11-02

In this study, we present the final results for the deuteron spin structure functions obtained from the full data set collected with Jefferson Lab's CLAS in 2000-2001. Polarized electrons with energies of 1.6, 2.5, 4.2 and 5.8 GeV were scattered from deuteron ( 15ND 3) targets, dynamically polarized along the beam direction, and detected with CLAS. From the measured double spin asymmetry, the virtual photon absorption asymmetry A d 1 and the polarized structure function g d 1 were extracted over a wide kinematic range (0.05 GeV2 < Q2 < 5 GeV2 and 0.9 GeV < W < 3 GeV).more » We use an unfolding procedure and a parametrization of the corresponding proton results to extract from these data the polarized structure functions A n 1 and g 1 n of the (bound) neutron, which are so far unknown in the resonance region, W < 2 GeV. We compare our final results, including several moments of the deuteron and neutron spin structure functions, with various theoretical models and expectations as well as parametrizations of the world data. The unprecedented precision and dense kinematic coverage of these data can aid in future extractions of polarized parton distributions, tests of perturbative QCD predictions for the quark polarization at large x, a better understanding of quark-hadron duality, and more precise values for higher-twist matrix elements in the framework of the Operator Product Expansion.« less

Electric and magnetic target polarization in quantum radar

NASA Astrophysics Data System (ADS)

Brandsema, Matthew J.; Narayanan, Ram M.; Lanzagorta, Marco

2017-05-01

In this paper, we discuss the effect that photon polarization has on the quantum radar cross section (QRCS) during the special case scenario of when the target is enveloped in either a uniform electric field or magnetic field and all of its atomic electric/magnetic dipole moments become aligned (target polarization). This target polarization causes the coupling between the photon and the matter to change and alter the scattering characteristics of the target. Most notably, it causes scattering to be very near zero at a specified angle. We also investigate the relationship between electric and magnetic types of coupling and find that the electric contribution dominates the QRCS response.

Moment tensor and location of seismic events in the 2017 DPRK test

NASA Astrophysics Data System (ADS)

Wei, S.; Shi, Q.; Chen, Q. F.; Wang, T.

2017-12-01

The main seismic event in the 2017 DPRK test was followed by a secondary event about eight minutes later. We conducted waveform analysis on the regional broadband waveform data to better constrain the moment tensor and location of these two events, to further understand their relations. In the first place, we applied the generalized Cut-And-Paste (gCAP) method to the regional data to invert the full moment tensor solutions of the two events. Our long period (0.02-0.08 Hz for Pnl, 0.02-0.055 Hz for surface waves) inversions show that the main event was composed of large positive ISO component ( 90% of the total moment) and has a moment magnitude of 5.4. In contrast, the second event shows large negative ISO component ( 50% of the total moment) with a moment magnitude of 4.5. Although there are trade-offs between the CLVD and the ISO component for the second event, chiefly caused by the coda waves from the first event, the result is more robust if we force a small CVLD component in the inversion. We also relocated the epicenter of the second event using P-wave first arrival picks, relative to the location of the first event, which has been accurately determined from the high-resolution geodetic data. The calibration from the first event allows us to precisely locate the second event, which shows an almost identical location to the first event. After a polarity correction, their high-frequency ( 0.25 - 0.9 Hz) regional surface waves also display high similarity, supporting the similar location but opposite ISO polarity of the two events. Our results suggest that the second event was likely to be caused by the collapsing after the main event, in agreement with the surface displacement derived from geodetic observation and modeling results.

Lattice QCD results for the HVP contribution to the anomalous magnetic moments of leptons

NASA Astrophysics Data System (ADS)

2018-03-01

We present lattice QCD results by the Budapest-Marseille-Wuppertal (BMW) Collaboration for the leading-order contribution of the hadron vacuum polarization (LOHVP) to the anomalous magnetic moments of all charged leptons. Calculations are performed with u, d, s and c quarks at their physical masses, in volumes of linear extent larger than 6 fm, and at six values of the lattice spacing, allowing for controlled continuum extrapolations. All connected and disconnected contributions are calculated for not only the muon but also the electron and tau anomalous magnetic moments. Systematic uncertainties are thoroughly discussed and comparisons with other calculations and phenomenological estimates are made.

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

Kaminsky, G.; Belanger, David P.; Ye, Feng

We use polarized neutron scattering to characterize the Bragg scattering intensity below T C=89.5 K at the (1,0,0) pseudocubic nuclear Bragg point of LaCoO 3. Upon cooling in a field (FC), a net magnetic moment is apparent in Bragg scattering intensity, just as it was in previous magnetization measurements. Critical behavior associated with the net moment near T C upon cooling in small applied fields rapidly rounds with increasing field strength. We show, using a mean-field calculation, that this net moment can develop in a metastable state that forms upon FC, even when all the interactions in the system aremore » antiferromagnetic.« less

Iron Atoms in Cr-Mn Antiferromagnetic Matrix

NASA Astrophysics Data System (ADS)

Szymański, K.; Satuła, D.; Dobrzyński, L.; Biernacka, M.; Perzyńska, K.; Zaleski, P.

2002-06-01

The results of the Mössbauer effect measurements on bcc Cr rich Cr-Fe-Mn alloys in temperature range 12-296 K in zero- and in applied magnetic fields are reported. Monochromatic, circularly polarized radiation was used for investigation of iron moments alignment. Strong enhancement of internal hyperfine magnetic field induced by the applied magnetic field was detected and explained as due to dynamical effects. At high temperatures alignment of iron moments in antiferromagnetic phase is weakly magnetic field-dependent. At low temperatures the average hyperfine magnetic field is antiparallel to the net magnetization showing that iron moments are partly ordered by the applied field.

Earthquake Source Parameter Estimates for the Charlevoix and Western Quebec Seismic Zones in Eastern Canada

NASA Astrophysics Data System (ADS)

Onwuemeka, J.; Liu, Y.; Harrington, R. M.; Peña-Castro, A. F.; Rodriguez Padilla, A. M.; Darbyshire, F. A.

2017-12-01

The Charlevoix Seismic Zone (CSZ), located in eastern Canada, experiences a high rate of intraplate earthquakes, hosting more than six M >6 events since the 17th century. The seismicity rate is similarly high in the Western Quebec seismic zone (WQSZ) where an MN 5.2 event was reported on May 17, 2013. A good understanding of seismicity and its relation to the St-Lawrence paleorift system requires information about event source properties, such as static stress drop and fault orientation (via focal mechanism solutions). In this study, we conduct a systematic estimate of event source parameters using 1) hypoDD to relocate event hypocenters, 2) spectral analysis to derive corner frequency, magnitude, and hence static stress drops, and 3) first arrival polarities to derive focal mechanism solutions of selected events. We use a combined dataset for 817 earthquakes cataloged between June 2012 and May 2017 from the Canadian National Seismograph Network (CNSN), and temporary deployments from the QM-III Earthscope FlexArray and McGill seismic networks. We first relocate 450 events using P and S-wave differential travel-times refined with waveform cross-correlation, and compute focal mechanism solutions for all events with impulsive P-wave arrivals at a minimum of 8 stations using the hybridMT moment tensor inversion algorithm. We then determine corner frequency and seismic moment values by fitting S-wave spectra on transverse components at all stations for all events. We choose the final corner frequency and moment values for each event using the median estimate at all stations. We use the corner frequency and moment estimates to calculate moment magnitudes, static stress-drop values and rupture radii, assuming a circular rupture model. We also investigate scaling relationships between parameters, directivity, and compute apparent source dimensions and source time functions of 15 M 2.4+ events from second-degree moment estimates. To the first-order, source dimension estimates from both methods generally agree. We observe higher corner frequencies and higher stress drops (ranging from 20 to 70 MPa) typical of intraplate seismicity in comparison with interplate seismicity. We follow similar approaches to studying 25 MN 3+ events reported in the WQSZ using data recorded by the CNSN and USArray Transportable Array.

Enhancing interfacial magnetization with a ferroelectric

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

Meyer, Tricia L.; Herklotz, Andreas; Lauter, Valeria

Ferroelectric control of interfacial magnetism has attracted much attention. However, the coupling of these two functionalities has not been understood well at the atomic scale. The lack of scientific progress is mainly due to the limited characterization methods by which the interface’s magnetic properties can be probed at an atomic level. In this paper, we use polarized neutron reflectometry to probe the evolution of the magnetic moment at interfaces in ferroelectric/strongly correlated oxide [PbZr 0.2Ti 0.8O 3/La 0.8Sr 0.2MnO 3(PZT/LSMO)] heterostructures. We find that the magnetization at the surfaces and interfaces of our LSMO films without PZT are always deterioratedmore » and such magnetic deterioration can be greatly improved by interfacing with a strongly polar PZT film. Magnetoelectric coupling of magnetism and ferroelectric polarization was observed within a couple of nanometers of the interface via an increase in the LSMO surface magnetization to 4.0μ B/f.u., a value nearly 70% higher than the surface magnetization of our LSMO film without interfacing with a ferroelectric layer. We attribute this behavior to hole depletion driven by the ferroelectric polarization. Finally, these compelling results not only probe the presence of nanoscale magnetic suppression and its control by ferroelectrics, but also emphasize the importance of utilizing probing techniques that can distinguish between bulk and interfacial phenomena.« less

Enhancing interfacial magnetization with a ferroelectric

DOE PAGES

Meyer, Tricia L.; Herklotz, Andreas; Lauter, Valeria; ...

2016-11-21

Ferroelectric control of interfacial magnetism has attracted much attention. However, the coupling of these two functionalities has not been understood well at the atomic scale. The lack of scientific progress is mainly due to the limited characterization methods by which the interface’s magnetic properties can be probed at an atomic level. In this paper, we use polarized neutron reflectometry to probe the evolution of the magnetic moment at interfaces in ferroelectric/strongly correlated oxide [PbZr 0.2Ti 0.8O 3/La 0.8Sr 0.2MnO 3(PZT/LSMO)] heterostructures. We find that the magnetization at the surfaces and interfaces of our LSMO films without PZT are always deterioratedmore » and such magnetic deterioration can be greatly improved by interfacing with a strongly polar PZT film. Magnetoelectric coupling of magnetism and ferroelectric polarization was observed within a couple of nanometers of the interface via an increase in the LSMO surface magnetization to 4.0μ B/f.u., a value nearly 70% higher than the surface magnetization of our LSMO film without interfacing with a ferroelectric layer. We attribute this behavior to hole depletion driven by the ferroelectric polarization. Finally, these compelling results not only probe the presence of nanoscale magnetic suppression and its control by ferroelectrics, but also emphasize the importance of utilizing probing techniques that can distinguish between bulk and interfacial phenomena.« less

Characterization of novel pin-hole based plasma source for generation of discharge in liquids supplied by DC non-pulsing voltage

NASA Astrophysics Data System (ADS)

Krčma, F.; Kozáková, Z.; Mazánková, V.; Horák, J.; Dostál, L.; Obradović, B.; Nikiforov, A.; Belmonte, T.

2018-06-01

A recently presented novel plasma source generating discharge in liquids based on the pin-hole discharge configuration is characterized in detail. The system is supplied by DC non-pulsing high voltage of both polarities in NaCl water solutions at a conductivity range of 100–15 000 μS/cm. The discharge itself shows self-pulsing operation. The discharge ignition is observed in micro bubbles by transient discharge followed by a glow discharge in positive polarity at lower conductivities propagating inside the bubbles. At high conductivities, the glow regime is particularly replaced by a more energetic sequence of transient discharges followed by a shorter glow mode operation. The transient regime probability and its intensity are higher in the negative discharge polarity. The transient discharge produces acoustic waves and shock waves, which are observed at the moment of the bubble cavitation. The average gas temperature of 700–1500 K was calculated from the lowest OH (A-X) 0-0 band transitions. The average electron concentrations of 1020–1023 m‑3 were calculated from H α and H β line profiles. Finally, the production of a chemically active species is determined by hydrogen peroxide energy yields related to the energy consumption of the whole interelectrode system. All these quantities are dependent on the solution conductivity, the discharge polarity, and the applied power.

Determination of the proton spin structure functions for 0.05 < Q 2 < 5 GeV 2 using CLAS

DOE PAGES

Fersch, R. G.; Guler, N.; Bosted, P.; ...

2017-12-27

In this work, we present the results of our final analysis of the full data set of gmore » $$p\\atop{1}$$ (Q 2), the spin structure function of the proton, collected using CLAS at Jefferson Laboratory in 2000–2001. Polarized electrons with energies of 1.6, 2.5, 4.2, and 5.7 GeV were scattered from proton targets ( 15NH 3 dynamically polarized along the beam direction) and detected with CLAS. From the measured double spin asymmetries, we extracted virtual photon asymmetries A$$p\\atop{1}$$ and A$$p\\atop{2}$$ and spin structure functions g$$p\\atop{1}$$ and g$$p\\atop{2}$$ over a wide kinematic range (0.05 GeV 2 < Q 2 < 5 GeV 2 and 1.08 GeV < W < 3 GeV) and calculated moments of g$$p\\atop{1}$$. We compare our final results with various theoretical models and expectations, as well as with parametrizations of the world data. Lastly, our data, with their precision and dense kinematic coverage, are able to constrain fits of polarized parton distributions, test pQCD predictions for quark polarizations at large x, offer a better understanding of quark-hadron duality, and provide more precise values of higher twist matrix elements in the framework of the operator product expansion.« less

Quantum mechanical effects in zwitterionic amino acids: The case of proline, hydroxyproline, and alanine in water

NASA Astrophysics Data System (ADS)

Ulman, Kanchan; Busch, Sebastian; Hassanali, Ali A.

2018-06-01

In this work, we use ab initio molecular dynamics simulations to elucidate the electronic properties of three hydrated zwitterionic amino acids, namely proline, hydroxyproline, and alanine, the former two forming an important constituent of collagen. In all three systems, we find a substantial amount of charge transfer between the amino acids and surrounding solvent, which, rather surprisingly, also involves the reorganization of electron density near the hydrophobic non-polar groups. Water around proline appears to be slightly more polarized, as reflected by the enhanced water dipole moment in its hydration shell. This observation is also complemented by an examination of the IR spectra of the three systems where there is a subtle red and blue shift in the O-H stretch and bend regions, respectively, for proline. We show that polarizability of these amino acids as revealed by a dipole moment analysis involves a significant enhancement from the solvent and that this also involves non-polar groups. Our results suggest that quantum mechanical effects are likely to be important in understanding the coupling between biomolecules and water in general and in hydrophobic interactions.

Molecular structure of imide solutions. Part I. Propionimide in non-polar solvents

NASA Astrophysics Data System (ADS)

Jadżyn, J.; Żywucki, B.

1986-07-01

cis-trans Conformation of the imide group in propionimide (C 2H 5CONHCOC 2H 5) leads to its cyclic dimerization via the NH⋯OC hydrogen bonds. Dielectric and IR studies in non-polar solvents showed that the dipole moment of the propionimide cyclic dimer is equal to zero. The thermodynamic parameters describing the process of this dimerization are given.

Local-Field Distribution of Two Dielectric Inclusions at Small Separation

NASA Astrophysics Data System (ADS)

Siu, Yuet-Lun; Yu, Kin-Wah

2001-03-01

When two dielectric inclusions approach to each other in a composite medium, significant mutual polarization effects must occur. These effects are multipolar in nature and are difficult to treat from first principles(J. D. Jackson, Classical Electrodynamics), 2nd edition, (Wiley, New York, 1975).. In this work, we employ the discrete-dipole theory(B. T. Draine and P. J. Flatau, J. Opt. Soc. Am. A 11) 1491 (1994). to account for the mutual polarization effects by dividing the inclusions into many small subparts. We begin the calculation at small inclusion sizes and large separation, where the point-dipole limit being valid, and proceed to larger inclusion sizes and small separation, for which the mutual polarization effect becomes important. Then, we apply the theory to determine the dipole moment of each subpart self-consistently. In this way, each dipole moment yields the local electric field, which in turn polarizes the neighboring dipoles. We also begin the calculation at small inclusion sizes and large separation, where the point-dipole limit being valid, and proceed to larger inclusion sizes and small separation. Our resluts indicate that convergence is achieved with moderate computational effects. The results produce valuable information about the local electric field distribution, which is relevant to optical absorption due to surface phonon-polaritons of ionic microcrystals.

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

NASA Astrophysics Data System (ADS)

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

2016-09-01

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

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

Matsuta, K.; Fukuda, M.; Tanigaki, M.

The magnetic moment of the proton drip-line nucleus {sup 9}C(I{sup {pi}}=3/2{sup -}, T{sub {1/2}}=126 ms) has been measured for the first time, using the {beta}-NMR detection technique with polarized radioactive beams. The measured value for the magnetic moment is {vert_bar} {mu}({sup 9}C) {vert_bar} = 1.3914{+-}0.0005 {mu}{sub N}. The deduced spin expectation value<{sigma}> of 1.44 is unusually larger than an other ones of even-odd nuclei.

A storage ring experiment to detect a proton electric dipole moment

DOE PAGES

Anastassopoulos, V.; Andrianov, S.; Baartman, R.; ...

2016-11-29

We describe a new experiment to detect a permanent electric dipole moment of the proton with a sensitivity of 10 $-$29e cm by using polarized “magic” momentum 0.7 GeV/c protons in an all-electric storage ring. Systematic errors relevant to the experiment are discussed and techniques to address them are presented. The measurement is sensitive to new physics beyond the Standard Model at the scale of 3000 TeV.

A storage ring experiment to detect a proton electric dipole moment.

PubMed

Anastassopoulos, V; Andrianov, S; Baartman, R; Baessler, S; Bai, M; Benante, J; Berz, M; Blaskiewicz, M; Bowcock, T; Brown, K; Casey, B; Conte, M; Crnkovic, J D; D'Imperio, N; Fanourakis, G; Fedotov, A; Fierlinger, P; Fischer, W; Gaisser, M O; Giomataris, Y; Grosse-Perdekamp, M; Guidoboni, G; Hacıömeroğlu, S; Hoffstaetter, G; Huang, H; Incagli, M; Ivanov, A; Kawall, D; Kim, Y I; King, B; Koop, I A; Lazarus, D M; Lebedev, V; Lee, M J; Lee, S; Lee, Y H; Lehrach, A; Lenisa, P; Levi Sandri, P; Luccio, A U; Lyapin, A; MacKay, W; Maier, R; Makino, K; Malitsky, N; Marciano, W J; Meng, W; Meot, F; Metodiev, E M; Miceli, L; Moricciani, D; Morse, W M; Nagaitsev, S; Nayak, S K; Orlov, Y F; Ozben, C S; Park, S T; Pesce, A; Petrakou, E; Pile, P; Podobedov, B; Polychronakos, V; Pretz, J; Ptitsyn, V; Ramberg, E; Raparia, D; Rathmann, F; Rescia, S; Roser, T; Kamal Sayed, H; Semertzidis, Y K; Senichev, Y; Sidorin, A; Silenko, A; Simos, N; Stahl, A; Stephenson, E J; Ströher, H; Syphers, M J; Talman, J; Talman, R M; Tishchenko, V; Touramanis, C; Tsoupas, N; Venanzoni, G; Vetter, K; Vlassis, S; Won, E; Zavattini, G; Zelenski, A; Zioutas, K

2016-11-01

A new experiment is described to detect a permanent electric dipole moment of the proton with a sensitivity of 10 -29 e ⋅ cm by using polarized "magic" momentum 0.7 GeV/c protons in an all-electric storage ring. Systematic errors relevant to the experiment are discussed and techniques to address them are presented. The measurement is sensitive to new physics beyond the standard model at the scale of 3000 TeV.

A storage ring experiment to detect a proton electric dipole moment

NASA Astrophysics Data System (ADS)

Anastassopoulos, V.; Andrianov, S.; Baartman, R.; Baessler, S.; Bai, M.; Benante, J.; Berz, M.; Blaskiewicz, M.; Bowcock, T.; Brown, K.; Casey, B.; Conte, M.; Crnkovic, J. D.; D'Imperio, N.; Fanourakis, G.; Fedotov, A.; Fierlinger, P.; Fischer, W.; Gaisser, M. O.; Giomataris, Y.; Grosse-Perdekamp, M.; Guidoboni, G.; Hacıömeroǧlu, S.; Hoffstaetter, G.; Huang, H.; Incagli, M.; Ivanov, A.; Kawall, D.; Kim, Y. I.; King, B.; Koop, I. A.; Lazarus, D. M.; Lebedev, V.; Lee, M. J.; Lee, S.; Lee, Y. H.; Lehrach, A.; Lenisa, P.; Levi Sandri, P.; Luccio, A. U.; Lyapin, A.; MacKay, W.; Maier, R.; Makino, K.; Malitsky, N.; Marciano, W. J.; Meng, W.; Meot, F.; Metodiev, E. M.; Miceli, L.; Moricciani, D.; Morse, W. M.; Nagaitsev, S.; Nayak, S. K.; Orlov, Y. F.; Ozben, C. S.; Park, S. T.; Pesce, A.; Petrakou, E.; Pile, P.; Podobedov, B.; Polychronakos, V.; Pretz, J.; Ptitsyn, V.; Ramberg, E.; Raparia, D.; Rathmann, F.; Rescia, S.; Roser, T.; Kamal Sayed, H.; Semertzidis, Y. K.; Senichev, Y.; Sidorin, A.; Silenko, A.; Simos, N.; Stahl, A.; Stephenson, E. J.; Ströher, H.; Syphers, M. J.; Talman, J.; Talman, R. M.; Tishchenko, V.; Touramanis, C.; Tsoupas, N.; Venanzoni, G.; Vetter, K.; Vlassis, S.; Won, E.; Zavattini, G.; Zelenski, A.; Zioutas, K.

2016-11-01

A new experiment is described to detect a permanent electric dipole moment of the proton with a sensitivity of 10-29 e ṡ cm by using polarized "magic" momentum 0.7 GeV/c protons in an all-electric storage ring. Systematic errors relevant to the experiment are discussed and techniques to address them are presented. The measurement is sensitive to new physics beyond the standard model at the scale of 3000 TeV.

Photospheric Magnetic Diffusion by Measuring Moments of Active Regions

NASA Astrophysics Data System (ADS)

Engell, Alexander; Longcope, D.

2013-07-01

Photospheric magnetic surface diffusion is an important constraint for the solar dynamo. The HMI Active Region Patches (HARPs) program automatically identify all magnetic regions above a certain flux. In our study we measure the moments of ARs that are no longer actively emerging and can thereby give us good statistical constraints on photospheric diffusion. We also present the diffusion properties as a function of latitude, flux density, and single polarity (leading or following) within each HARP.

True Polar Wander of Mercury

NASA Astrophysics Data System (ADS)

Keane, J. T.; Matsuyama, I.

2018-05-01

We use new MESSENGER gravity data to investigate how impact basins and volcanic provinces alter Mercury's moments of inertia. We find that Mercury has reoriented tens of degrees over its history, affecting tectonics, volatiles, and more.

Gate-tunable polarized phase of two-dimensional electrons at the LaAlO3/SrTiO3 interface.

PubMed

Joshua, Arjun; Ruhman, Jonathan; Pecker, Sharon; Altman, Ehud; Ilani, Shahal

2013-06-11

Controlling the coupling between localized spins and itinerant electrons can lead to exotic magnetic states. A novel system featuring local magnetic moments and extended 2D electrons is the interface between LaAlO3 and SrTiO3. The magnetism of the interface, however, was observed to be insensitive to the presence of these electrons and is believed to arise solely from extrinsic sources like oxygen vacancies and strain. Here we show the existence of unconventional electronic phases in the LaAlO3/SrTiO3 system pointing to an underlying tunable coupling between itinerant electrons and localized moments. Using anisotropic magnetoresistance and anomalous Hall effect measurements in a unique in-plane configuration, we identify two distinct phases in the space of carrier density and magnetic field. At high densities and fields, the electronic system is strongly polarized and shows a response, which is highly anisotropic along the crystalline directions. Surprisingly, below a density-dependent critical field, the polarization and anisotropy vanish whereas the resistivity sharply rises. The unprecedented vanishing of the easy axes below a critical field is in sharp contrast with other coupled magnetic systems and indicates strong coupling with the moments that depends on the symmetry of the itinerant electrons. The observed interplay between the two phases indicates the nature of magnetism at the LaAlO3/SrTiO3 interface as both having an intrinsic origin and being tunable.

Gate-tunable polarized phase of two-dimensional electrons at the LaAlO3/SrTiO3 interface

PubMed Central

Joshua, Arjun; Ruhman, Jonathan; Pecker, Sharon; Altman, Ehud; Ilani, Shahal

2013-01-01

Controlling the coupling between localized spins and itinerant electrons can lead to exotic magnetic states. A novel system featuring local magnetic moments and extended 2D electrons is the interface between LaAlO3 and SrTiO3. The magnetism of the interface, however, was observed to be insensitive to the presence of these electrons and is believed to arise solely from extrinsic sources like oxygen vacancies and strain. Here we show the existence of unconventional electronic phases in the LaAlO3/SrTiO3 system pointing to an underlying tunable coupling between itinerant electrons and localized moments. Using anisotropic magnetoresistance and anomalous Hall effect measurements in a unique in-plane configuration, we identify two distinct phases in the space of carrier density and magnetic field. At high densities and fields, the electronic system is strongly polarized and shows a response, which is highly anisotropic along the crystalline directions. Surprisingly, below a density-dependent critical field, the polarization and anisotropy vanish whereas the resistivity sharply rises. The unprecedented vanishing of the easy axes below a critical field is in sharp contrast with other coupled magnetic systems and indicates strong coupling with the moments that depends on the symmetry of the itinerant electrons. The observed interplay between the two phases indicates the nature of magnetism at the LaAlO3/SrTiO3 interface as both having an intrinsic origin and being tunable. PMID:23708121

Effect of polar surfaces on organic molecular crystals

NASA Astrophysics Data System (ADS)

Sharia, Onise; Tsyshevskiy, Roman; Kuklja, Maija; University of Maryland College Park Team

Polar oxide materials reveal intriguing opportunities in the field of electronics, superconductivity and nanotechnology. While behavior of polar surfaces has been widely studied on oxide materials and oxide-oxide interfaces, manifestations and properties of polar surfaces in molecular crystals are still poorly understood. Here we discover that the polar catastrophe phenomenon, known on oxides, also takes place in molecular materials as illustrated with an example of cyclotetramethylene tetranitramine (HMX) crystals. We show that the surface charge separation is a feasible compensation mechanism to counterbalance the macroscopic dipole moment and remove the electrostatic instability. We discuss the role of surface charge on degradation of polar surfaces, electrical conductivity, optical band-gap closure and surface metallization. Research is supported by the US ONR (Grants N00014-16-1-2069 and N00014-16-1-2346) and NSF. We used NERSC, XSEDE and MARCC computational resources.

Numerical modeling of higher order magnetic moments in UXO discrimination

USGS Publications Warehouse

Sanchez, V.; Yaoguo, L.; Nabighian, M.N.; Wright, D.L.

2008-01-01

The surface magnetic anomaly observed in unexploded ordnance (UXO) clearance is mainly dipolar, and consequently, the dipole is the only magnetic moment regularly recovered in UXO discrimination. The dipole moment contains information about the intensity of magnetization but lacks information about the shape of the target. In contrast, higher order moments, such as quadrupole and octupole, encode asymmetry properties of the magnetization distribution within the buried targets. In order to improve our understanding of magnetization distribution within UXO and non-UXO objects and to show its potential utility in UXO clearance, we present a numerical modeling study of UXO and related metallic objects. The tool for the modeling is a nonlinear integral equation describing magnetization within isolated compact objects of high susceptibility. A solution for magnetization distribution then allows us to compute the magnetic multipole moments of the object, analyze their relationships, and provide a depiction of the anomaly produced by different moments within the object. Our modeling results show the presence of significant higher order moments for more asymmetric objects, and the fields of these higher order moments are well above the noise level of magnetic gradient data. The contribution from higher order moments may provide a practical tool for improved UXO discrimination. ?? 2008 IEEE.

Resolving 3D magnetism in nanoparticles using polarization analyzed SANS

NASA Astrophysics Data System (ADS)

Krycka, K. L.; Booth, R.; Borchers, J. A.; Chen, W. C.; Conlon, C.; Gentile, T. R.; Hogg, C.; Ijiri, Y.; Laver, M.; Maranville, B. B.; Majetich, S. A.; Rhyne, J. J.; Watson, S. M.

2009-09-01

Utilizing a polarized 3He cell as an analyzer we were able to perform a full polarization analysis on small-angle neutron scattering (SANS) data from an ensemble of 7 nm magnetite nanoparticles. The results led to clear separation of magnetic and nuclear scattering plus a 3D vectorial decomposition of the magnetism observed. At remanence variation in long-range magnetic correlation length was found to be highly dependent on temperature from 50 to 300 K. Additionally, we were able to compare the magnetic scattering from moments along and perpendicular to an applied field at saturation and in remanence.

Ferroelectric nanostructure having switchable multi-stable vortex states

DOEpatents

Naumov, Ivan I [Fayetteville, AR; Bellaiche, Laurent M [Fayetteville, AR; Prosandeev, Sergey A [Fayetteville, AR; Ponomareva, Inna V [Fayetteville, AR; Kornev, Igor A [Fayetteville, AR

2009-09-22

A ferroelectric nanostructure formed as a low dimensional nano-scale ferroelectric material having at least one vortex ring of polarization generating an ordered toroid moment switchable between multi-stable states. A stress-free ferroelectric nanodot under open-circuit-like electrical boundary conditions maintains such a vortex structure for their local dipoles when subject to a transverse inhomogeneous static electric field controlling the direction of the macroscopic toroidal moment. Stress is also capable of controlling the vortex's chirality, because of the electromechanical coupling that exists in ferroelectric nanodots.

A storage ring experiment to detect a proton electric dipole moment

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

Anastassopoulos, V.; Andrianov, S.; Baartman, R.

2016-11-01

A new experiment is described to detect a permanent electric dipole moment of the proton with a sensitivity ofmore » $$10^{-29}e\\cdot$$cm by using polarized "magic" momentum $0.7$~GeV/c protons in an all-electric storage ring. Systematic errors relevant to the experiment are discussed and techniques to address them are presented. The measurement is sensitive to new physics beyond the Standard Model at the scale of 3000~TeV.« less

Polarized neutron reflectivity from monolayers of self-assembled magnetic nanoparticles.

PubMed

Mishra, D; Petracic, O; Devishvili, A; Theis-Bröhl, K; Toperverg, B P; Zabel, H

2015-04-10

We prepared monolayers of iron oxide nanoparticles via self-assembly on a bare silicon wafer and on a vanadium film sputter deposited onto a plane sapphire substrate. The magnetic configuration of nanoparticles in such a dense assembly was investigated by polarized neutron reflectivity. A theoretical model fit shows that the magnetic moments of nanoparticles form quasi domain-like configurations at remanence. This is attributed to the dipolar coupling amongst the nanoparticles.

X-ray magneto-optic KERR effect studies of spring magnet heterostructures.

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

Kortright, J. B.; Kim, S.-K.; Fullerton, E. E.

2000-11-01

The complex 3-dimensional magnetization reversal behavior of Sin-Co/Fe exchange spring films is used to test the sensitivity of different resonant soft x-ray magneto-optical Kerr effect (MOKE) measurements to changes in longitudinal and transverse moments within the SOIIFe layer and to changes in these moments in depth within the Fe layer. As in the visible MOKE, changes in longitudinal and net transverse moments are resolved by measuring both Kerr rotation and intensity loops in the near the Fe 2p core resonance. These x-ray MOKE signals measured using linear incident polarization are more directly interpreted in terms of longitudinal and transverse momentsmore » than are the same signals measured using elliptical polarization. Varying photon energy near the Fe L3line is shown to be an effective means of resolving distinctly different reversal behavior at the top and bottom of the 20 nm thick Fe layer resulting from the strong exchange coupling at the Sin-Co/Fe interface. Measured x-ray MOKE spectra and signals are in qualitative agreement with those calculated using standard magneto-optical formalisms incorporating interference between different layers and measured helicity-dependent magneto-optical constants for Fe.« less

The opposite induced magnetic moment in narrow zigzag graphene nanoribbons

NASA Astrophysics Data System (ADS)

Liu, Hong; Hu, Bian; Liu, Na

2016-11-01

Based on the analysis of band structure and edge states on zigzag graphene nanoribbons (ZGNRs), we can study theoretically the origination of two minimal quantum conductance. At the two energy points - 0.20 eV and 0.15 eV corresponding to the two dips of quantum conductance, the spin-polarized quantum conductance is about 45%. Furthermore, the two types of edge-localized carriers in the opposite transport directions along the two opposite edge sides form the quantum internal loop current, which can generate one big magnetic moment. At these two energy points - 0.17 eV and 0.15 eV the two induced magnetic moments are in opposite signals.

Molecular and structural characterization of New Red and Erythrosine by fluorescence polarization spectroscopy

NASA Astrophysics Data System (ADS)

Zhu, Chun; Du, Jia-Meng; Zhao, Jin-Chen; Zhu, Tuo; Chen, Guo-Qing

2017-07-01

The fundamental and the fluorescence anisotropies of New Red and Erythrosine were measured. The intersection angles between the absorption and the emission dipole moments for New Red and Erythrosine are 4.44∘ and 23.26∘, respectively. The average angle shift of the emission dipole moment of New Red is 3.91∘ during the lifetime of the excited state. This indicates that it has a bifurcated linear structure with weak rotational capacity. The average angle shift of the emission dipole moment of Erythrosine is 9.25∘, indicating that it has a partial planar structure and is easier to rotate. The spatial ground state structures were simulated with Gaussian 09.

Physicochemical and catalytic properties of Au nanorods micro-assembled in solvents of varying dipole moment and refractive index

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

Kaur, Rupinder; Pal, Bonamali, E-mail: bpal@thapar.edu

2015-02-15

Highlights: • Physicochemical activities of Au nanorods in water largely differ from organic solvents. • Au nanorods agglomeration increased with dipole moments of different polar solvents. • Refractive indexes of Au nanorods dispersion in various polar solvents are enhanced. • Electrokinetics significantly altered depending on agglomerated size of Au nanorods. • Catalysis or co-catalysis activity is varied as per the extent of Au nanorods coagulation. - Abstract: This paper deals with the impact of dipole moment (1.66–3.96 D) and refractive index (1.333–1.422) of the dispersion solvent on the plasmon absorption, surface charge, zeta potential, and adsorption properties of Au nanorodsmore » (AuNRs). AuNRs (length ≈ 53 nm and width ≈ 20 nm) undergo agglomeration (size 50–180 nm) with increase in the dipole moment of solvent (iPrOH < MeOH < DMF < DMSO). Whereas, no such coagulation occurs in H{sub 2}O and CCl{sub 4} suspension as confirmed by DLS and TEM size distribution. The electrostatic interaction of AuNRs with its surface adsorbed solvent dipoles leads to alteration of the their ionic state, absolute electronic charge and zeta potential (+49.79 mV in H{sub 2}O, +8.99 mV in DMF and −4.65 mV in MeOH dispersion) to a greater extent. This interaction distinctly modifies the adsorption behavior of polar molecules like p-nitrophenol and salicylic acid on AuNRs surface, as evidenced by the measured changes in their electro-kinetic parameters. As a result, we observe a substantial difference in catalytic and co-catalytic activities of AuNRs dispersed in various solvents as mentioned above because the catalytic properties of AuNRs are strongly dependent on the type of solvent in which they are dispersed.« less

Cosmogenic 10Be signature of geomagnetic dipole moment variations over the last 2 Ma

NASA Astrophysics Data System (ADS)

Simon, Q.; Thouveny, N.; Bourlès, D. L.; Valet, J. P.; Bassinot, F. C.; Savranskaia, T.; Duvivier, A.; Choy, S.; Gacem, L.; Villedieu, A.

2017-12-01

Long-term variations of the geomagnetic dipole moment (GDM) during periods of stable polarity and in transitional states (reversals and excursions) provide key information for understanding the geodynamo regime. Authigenic 10Be/9Be ratios (Be-ratio, proxy of atmospheric 10Be production) from marine sedimentary cores give independent and additional insights on the evolution of the geomagnetic intensity, completing information from absolute and relative paleointensity (RPI) records. Here we present new Be-ratio results obtained on several marine cores from the North Atlantic, Indian and Pacific Oceans which permit to extent into the Matuyama chron our previous 10Be-derived GDM reconstructions (Simon et al., 2016 JGR 121). Stratigraphic offsets measured between Be-ratio peaks and the corresponding RPI minima in each studied cores are assigned to (post-) detrital remanent magnetization (pDRM) effects leading to magnetization locking-in delays varying from 0 to 16 cm (up to 12 ka). All these results were compiled in order to obtain a continuous Be-ratio record covering the last 2 Ma. 10Be overproduction episodes triggered by geomagnetic dipole moment lows (GDL) linked to polarity reversals and excursions confirm the global control exerted by the GDM on cosmogenic radionuclides production. A dipole moment reconstruction derived from the Be-ratio stack (BeDiMo2Ma) was calibrated using absolute paleointensity data. This independent record completes the available paleomagnetic RPI records and permits: 1) to confront and increase the robustness and precision of GDM reconstructions; and, 2) to better constrain geomagnetic field instabilities during the mid- to late- Matuyama chron. Our new 10Be derived inventory is fully compatible with the GDL series linked to polarity reversals (Matuyama-Brunhes transition, Jaramillo and Olduvai boundaries), geomagnetic events (Cobb Mountain, Réunion) and Brunhes' excursions (e.g. Laschamp, Blake, Iceland-Basin, Big Lost). It further strengthens the occurrence of several Matuyama's excursions (Kamikatsura, Santa Rosa, Punaruu, Bjorn, Gilsa, Gardar) that were reported only from sparse locations.

Ab-initio study of electronic structure and magnetic properties of half-metallic Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} alloys

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

Go, Anna, E-mail: annago@alpha.uwb.edu.pl

2014-11-15

Ab-initio electronic structure calculations are carried out for quinternary Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} alloys. When x=0 the alloy is half-metallic ferromagnet, with magnetic moment following the Slater–Pauling rule. Replacement of Mn by V, changes its electronic and magnetic structure. V-doped alloys exhibit half-metallic behavior for x≤0.25. However, even for higher V concentrations, electronic spin polarization is still very high, what makes the alloys interesting for spintronic applications. - Graphical abstract: Densities of states of Fe{sub 2}MnSi{sub 0.5}Al{sub 0.5} and magnetic moments of Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5}. - Highlights: • Fe{sub 2}MnSi{sub 0.5}Al{sub 0.5} is a half-metallicmore » ferromagnet with a minority band gap of 0.49 eV. • Half-metallic band gap is very stable against the change of the lattice parameter. • Half-metallic band gap is obtained for Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} for x≤0.25. • Electronic spin polarization is very high and equal to at least 95% for x≤0.625. • The main carrier of magnetism of the compound is manganese.« less

Software package for modeling spin-orbit motion in storage rings

NASA Astrophysics Data System (ADS)

Zyuzin, D. V.

2015-12-01

A software package providing a graphical user interface for computer experiments on the motion of charged particle beams in accelerators, as well as analysis of obtained data, is presented. The software package was tested in the framework of the international project on electric dipole moment measurement JEDI (Jülich Electric Dipole moment Investigations). The specific features of particle spin motion imply the requirement to use a cyclic accelerator (storage ring) consisting of electrostatic elements, which makes it possible to preserve horizontal polarization for a long time. Computer experiments study the dynamics of 106-109 particles in a beam during 109 turns in an accelerator (about 1012-1015 integration steps for the equations of motion). For designing an optimal accelerator structure, a large number of computer experiments on polarized beam dynamics are required. The numerical core of the package is COSY Infinity, a program for modeling spin-orbit dynamics.

Beam-spin asymmetries from semi-inclusive pion electroproduction

NASA Astrophysics Data System (ADS)

Gohn, W.; Avakian, H.; Joo, K.; Ungaro, M.; Adhikari, K. P.; Aghasyan, M.; Amaryan, M. J.; Anderson, M. D.; Anefalos Pereira, S.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Biselli, A. S.; Bono, J.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Cole, P. L.; Contalbrigo, M.; Cortes, O.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Djalali, C.; Doughty, D.; Dupre, R.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fedotov, G.; Fleming, J. A.; Forest, T.; Garçon, M.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Gothe, R. W.; Griffioen, K. A.; Guegan, B.; Guo, L.; Hafidi, K.; Hanretty, C.; Harrison, N.; Hattawy, Mohammad; Hicks, K.; Ho, D.; Holtrop, M.; Hyde, C.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Jo, H. S.; Keller, D.; Khandaker, M.; Khetarpal, P.; Kim, W.; Klein, F. J.; Koirala, S.; Kubarovsky, V.; Kuhn, S. E.; Kuleshov, S. V.; Lenisa, P.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Markov, N.; Mayer, M.; McKinnon, B.; Mineeva, T.; Mirazita, M.; Mokeev, V.; Movsisyan, A.; Nadel-Turonski, P.; Niccolai, S.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Pappalardo, L. L.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Peng, P.; Phillips, J. J.; Pisano, S.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Prok, Y.; Puckett, A. J. R.; Raue, B. A.; Ripani, M.; Ritchie, B. G.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Sabatié, F.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seder, E.; Seraydaryan, H.; Sharabian, Y. G.; Simonyan, A.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Stoler, P.; Strakovsky, I. I.; Stepanyan, S.; Strauch, S.; Tang, W.; Tkachenko, S.; Vernarsky, B.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Weinstein, L. B.; Wood, M. H.; Zachariou, N.; Zana, L.; Zhang, J.; Zonta, I.; CLAS Collaboration

2014-04-01

We have measured the moment ALUsinϕ corresponding to the polarized electron beam-spin asymmetry in semi-inclusive deep inelastic scattering. ALUsinϕ is a twist-3 quantity providing information about quark-gluon correlations. Data were taken with the CLAS Spectrometer at Jefferson Lab using a 5.498 GeV longitudinally polarized electron beam and an unpolarized liquid hydrogen target. All three pion channels (π+, π0 and π-) were measured simultaneously over a large range of kinematics within the virtuality range Q2≈ 1.0-4.5 GeV2. The observable was measured with better than 1% statistical precision over a large range of z, PT, xB, and Q2, which permits comparison with several reaction models. The discussed measurements provide an upgrade in statistics over previous measurements, and serve as the first evidence for the negative sign of the π- sinϕ moment.

Polarized Neutron Study of Ni-Mn-Ga Alloys: Site-Specific Spin Density Affected by Martensitic Transformation.

PubMed

Lázpita, P; Barandiarán, J M; Gutiérrez, J; Mondelli, C; Sozinov, A; Chernenko, V A

2017-10-13

Polarized neutron scattering has been used to obtain the magnetic moment at specific crystallographic sites of the austenitic and martensitic phases of two nonstoichiometric Ni-Mn-Ga single crystals with close composition. These alloys have been chosen because they exhibit different structures in the paramagnetic state and inverse positions of the respective martensitic transformation and Curie temperature. The diffraction analysis revealed a remarkable result: Despite the similar alloy composition, the magnetic moments of Mn are quite different for the two alloys at the same crystallographic position. Furthermore, such a difference enabled us to assess that the exchange coupling between Mn atoms switches from ferro- to antiferromagnetic at a distance between 2.92 and 3.32 Å in the martensite. These results are of great importance to guide first principles calculations that, up to now, have not been contrasted with experiments at the atomic level.

Polarized Neutron Study of Ni-Mn-Ga Alloys: Site-Specific Spin Density Affected by Martensitic Transformation

NASA Astrophysics Data System (ADS)

Lázpita, P.; Barandiarán, J. M.; Gutiérrez, J.; Mondelli, C.; Sozinov, A.; Chernenko, V. A.

2017-10-01

Polarized neutron scattering has been used to obtain the magnetic moment at specific crystallographic sites of the austenitic and martensitic phases of two nonstoichiometric Ni-Mn-Ga single crystals with close composition. These alloys have been chosen because they exhibit different structures in the paramagnetic state and inverse positions of the respective martensitic transformation and Curie temperature. The diffraction analysis revealed a remarkable result: Despite the similar alloy composition, the magnetic moments of Mn are quite different for the two alloys at the same crystallographic position. Furthermore, such a difference enabled us to assess that the exchange coupling between Mn atoms switches from ferro- to antiferromagnetic at a distance between 2.92 and 3.32 Å in the martensite. These results are of great importance to guide first principles calculations that, up to now, have not been contrasted with experiments at the atomic level.

Electric dipole moments of nanosolvated acid molecules in water clusters.

PubMed

Guggemos, Nicholas; Slavíček, Petr; Kresin, Vitaly V

2015-01-30

The electric dipole moments of (H2O)nDCl (n=3-9) clusters have been measured by the beam-deflection method. Reflecting the (dynamical) charge distribution within the system, the dipole moment contributes information about the microscopic structure of nanoscale solvation. The addition of a DCl molecule to a water cluster results in a strongly enhanced susceptibility. There is evidence for a noticeable rise in the dipole moment occurring at n≈5-6. This size is consistent with predictions for the onset of ionic dissociation. Additionally, a molecular-dynamics model suggests that even with a nominally bound impurity an enhanced dipole moment can arise due to the thermal and zero-point motion of the proton and the water molecules. The experimental measurements and the calculations draw attention to the importance of fluctuations in defining the polarity of water-based nanoclusters and generally to the essential role played by motional effects in determining the response of fluxional nanoscale systems under realistic conditions.

Comparison of multi-fluid moment models with particle-in-cell simulations of collisionless magnetic reconnection

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

Wang, Liang, E-mail: liang.wang@unh.edu; Germaschewski, K.; Hakim, Ammar H.

2015-01-15

We introduce an extensible multi-fluid moment model in the context of collisionless magnetic reconnection. This model evolves full Maxwell equations and simultaneously moments of the Vlasov-Maxwell equation for each species in the plasma. Effects like electron inertia and pressure gradient are self-consistently embedded in the resulting multi-fluid moment equations, without the need to explicitly solving a generalized Ohm's law. Two limits of the multi-fluid moment model are discussed, namely, the five-moment limit that evolves a scalar pressures for each species and the ten-moment limit that evolves the full anisotropic, non-gyrotropic pressure tensor for each species. We first demonstrate analytically andmore » numerically that the five-moment model reduces to the widely used Hall magnetohydrodynamics (Hall MHD) model under the assumptions of vanishing electron inertia, infinite speed of light, and quasi-neutrality. Then, we compare ten-moment and fully kinetic particle-in-cell (PIC) simulations of a large scale Harris sheet reconnection problem, where the ten-moment equations are closed with a local linear collisionless approximation for the heat flux. The ten-moment simulation gives reasonable agreement with the PIC results regarding the structures and magnitudes of the electron flows, the polarities and magnitudes of elements of the electron pressure tensor, and the decomposition of the generalized Ohm's law. Possible ways to improve the simple local closure towards a nonlocal fully three-dimensional closure are also discussed.« less

Polarization Catastrophe Contributing to Rotation and Tornadic Motion in Cumulo-Nimbus Clouds

NASA Astrophysics Data System (ADS)

Handel, P. H.

2007-05-01

When the concentration of sub-micron ice particles in a cloud exceeds 2.5E21 per cubic cm, divided by the squared average number of water molecules per crystallite, the polarization catastrophe occurs. Then all ice crystallites nucleated on aerosol dust particles align their dipole moments in the same direction, and a large polarization vector field is generated in the cloud. Often this vector field has a radial component directed away from the vertical axis of the cloud. It is induced by the pre-existing electric field caused by the charged screening layers at the cloud surface, the screening shell of the cloud. The presence of a vertical component of the magnetic field of the earth creates a density of linear momentum G=DxB in the azimuthal direction, where D=eE+P is the electric displacement vector and e is the vacuum permittivity. This linear momentum density yields an angular momentum density vector directed upward in the nordic hemisphere, if the polarization vector points away from the vertical axis of the cloud. When the cloud becomes colloidally unstable, the crystallites grow beyond the size limit at which they still could carry a large ferroelectric saturation dipole moment, and the polarization vector quickly disappears. Then the cloud begins to rotate with an angular momentum that has the same direction. Due to the large average number of water molecules in a crystallite, the polarization catastrophe (PC) is present in practically all clouds, and is compensated by masking charges. In cumulo-nimbus (thunder-) clouds the collapse of the PC is rapid, and the masking charges lead to lightning, and in the upper atmosphere also to sprites, elves, and blue jets. In stratus clouds, however, the collapse is slow, and only leads to reverse polarity in dissipating clouds (minus on the bottom), as compared with growing clouds (plus on the bottom, because of the excess polarization charge). References: P.H. Handel: "Polarization Catastrophe Theory of Cloud Electricity", J. Geophysical Research 90, 5857-5863 (1985). P.H. Handel and P.B. James: "Polarization Catastrophe Model of Static Electrification and Spokes in the B-Ring of Saturn", Geophys. Res. Lett. 10, 1-4 (1983).

Femtosecond Fluorescence Upconversion Study of a Naphthalimide-Bithiophene-Triphenylamine Push-Pull Dye in Solution.

PubMed

Maffeis, Valentin; Brisse, Romain; Labet, Vanessa; Jousselme, Bruno; Gustavsson, Thomas

2018-06-13

There is a high interest in the development of new push-pull dyes for the use in dye sensitized solar cells. The pronounced charge transfer character of the directly photoexcited state is in principle favorable for a charge injection. Here, we report a time-resolved fluorescence study of a triphenylamine-bithiophene-naphthalimide dye in four solvents of varying polarity using fluorescence upconversion. The recording of femtosecond time-resolved fluorescence spectra corrected for the group velocity dispersion allows for a detailed analysis discriminating between spectral shifts and total intensity decays. After photoexcitation, the directly populated state (S 1 /FC) evolves toward a relaxed charge transfer state (S 1 /CT). This S 1 /CT state is characterized by a lower radiative transition moment and a higher nonradiative quenching. The fast dynamic shift of the fluorescence band is well described by solvation dynamics in polar solvents, but less so in nonpolar solvents, hinting that the excited-state relaxation process occurs on a free energy surface whose topology is strongly governed by the solvent polarity. This study underlines the influence of the environment on the intramolecular charge transfer (ICT) process, and the necessity to analyze time-resolved data in detail when solvation and ICT occur simultaneously.

Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties

NASA Technical Reports Server (NTRS)

Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.

1992-01-01

The quality of several atomic charge models based on different definitions has been analyzed using cumulative atomic multipole moments (CAMM). This formalism can generate higher atomic moments starting from any atomic charges, while preserving the corresponding molecular moments. The atomic charge contribution to the higher molecular moments, as well as to the electrostatic potentials, has been examined for CO and HCN molecules at several different levels of theory. The results clearly show that the electrostatic potential obtained from CAMM expansion is convergent up to R-5 term for all atomic charge models used. This illustrates that higher atomic moments can be used to supplement any atomic charge model to obtain more accurate description of electrostatic properties.

The influence of polarity of additive molecules on micelle structures of polystyrene-block-poly(4-vinylpyridine) in the fabrication of nano-porous templates.

PubMed

Chua, Kee Sze; Koh, Ai Peng; Lam, Yeng Ming

2010-11-01

Block copolymers are useful for in situ synthesis of nanoparticles as well as producing nanoporous templates. As such, the effects of precursors on the block copolymer micelle structure is important. In this study, we investigate the effects of polarity of molecules introduced into block copolymer micelle cores on the micelle structure. The molecular dipole moment of the additive molecules has been evaluated and their effects on the block copolymer micelles investigated using light scattering spectroscopy, small-angle X-ray scattering, transmission electron microscopy and atomic force microscopy. The molecule with the largest dipole moment resulted in spherical structures with a polydispersity of less than 0.06 in a fully translational diffusion system. Surprisingly, the less polar additive molecules produced elongated micelles and the aspect ratio increases with decreasing polarity. The change in structure from spherical to elongated structure was attributed to P4VP chain extension, where compounds with polarity most similar to P4VP induce the most chain extension. The second virial coefficients of the solutions with elongated micelles are lower than that for spherical micelle systems by up to one order in magnitude, indicating a strong tendency for micelles to coalesce. On rinsing the spin-cast films, pores were obtained from spherical micelles and ridges from elongated micelles, suggesting a viable alternative for morphology modification using mild conditions where external annealing treatments to the film are not preferred. The knowledge of polarity effects of additive molecules on micelle structure has wider implications for supramolecular block copolymer systems where, depending on the application requirements, changes to the shape of the micelle structure can be induced or avoided. Copyright 2010 Elsevier Inc. All rights reserved.

Magnetic states of Mn and Co atoms at Co2MnGe/MgO interfaces seen via soft x-ray magnetic circular dichroism

NASA Astrophysics Data System (ADS)

Asakura, D.; Koide, T.; Yamamoto, S.; Tsuchiya, K.; Shioya, T.; Amemiya, K.; Singh, V. R.; Kataoka, T.; Yamazaki, Y.; Sakamoto, Y.; Fujimori, A.; Taira, T.; Yamamoto, M.

2010-11-01

The magnetic states of Mn and Co atoms in Co-rich Co2MnGe Heusler alloy thin films facing an MgO barrier were studied by means of soft x-ray magnetic circular dichroism (XMCD). In particular, the Co2MnGe film-thickness dependence of the Mn and Co magnetic moments was investigated. With a decrease in the Co2MnGe film thickness to 1-2 monolayers (MLs), the spin magnetic moment of Mn decreased and the MnL2,3 -edge x-ray absorption spectra (XAS) showed a Mn2+ -like multiplet structure in MnO, in contrast to samples thicker than 4 ML, indicating that the Mn atoms of the 1 and 2 ML samples were oxidized. The Co spin magnetic moment increased slightly with decreasing thickness. A Co2+ -like multiplet structure in CoO was not observed in all the CoL2,3 -edge XAS and XMCD, indicating that, even in the ultrathin samples, the Co atoms were not oxidized, and were more strongly spin polarized than those in the thicker samples. Co spin magnetic moments of 1.40-1.77μB larger than the theoretical value for ideal stoichiometric Co2MnGe (˜1μB) and the Co-rich film composition imply the presence of Co antisites that would lower the spin polarization.

Influence of polarity of solvents on IR absorption and Raman spectra of ascorbic acid

NASA Astrophysics Data System (ADS)

Kutsenko, S. A.; Danyaeva, Y. S.; Maximova, S. V.

2018-04-01

The results of numerical calculations of IR absorption and Raman spectra of ascorbic acid in polar and nonpolar solutions are presented. The dependence of the change in the total energy and the dipole moment of the molecule on the characteristics of the solvents was investigated using the two solvation models. Spectral bands and the corresponding structural groups of the molecule are found, the characteristics of which are most vulnerable to solvents.

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.

Hyperfine Fields in Nanocrystalline Fe0.48Al0.52

NASA Astrophysics Data System (ADS)

Szymański, K.; Satuła, D.; Dobrzyński, L.; Voronina, E.; Yelsukov, E. P.

2004-12-01

Mössbauer measurements with circularly polarized radiation were performed on a nanocrystalline, disordered Fe48Al52 alloy. The analysis of the data for various polarization states resulted in the characterization of the hyperfine magnetic field distribution and the dependence of the average z-component of hyperfine field on the chemical environment. An increasing number of Al in the first coordination shell causes not only a decrease of magnetic moments but also introduces noncollinearity.

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.

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

Iterative Monte Carlo analysis of spin-dependent parton distributions

DOE PAGES

Sato, Nobuo; Melnitchouk, Wally; Kuhn, Sebastian E.; ...

2016-04-05

We present a comprehensive new global QCD analysis of polarized inclusive deep-inelastic scattering, including the latest high-precision data on longitudinal and transverse polarization asymmetries from Jefferson Lab and elsewhere. The analysis is performed using a new iterative Monte Carlo fitting technique which generates stable fits to polarized parton distribution functions (PDFs) with statistically rigorous uncertainties. Inclusion of the Jefferson Lab data leads to a reduction in the PDF errors for the valence and sea quarks, as well as in the gluon polarization uncertainty at x ≳ 0.1. Furthermore, the study also provides the first determination of the flavor-separated twist-3 PDFsmore » and the d 2 moment of the nucleon within a global PDF analysis.« less

Wavelet analysis of polarization azimuths maps for laser images of myocardial tissue for the purpose of diagnosing acute coronary insufficiency

NASA Astrophysics Data System (ADS)

Wanchuliak, O. Ya.; Peresunko, A. P.; Bakko, Bouzan Adel; Kushnerick, L. Ya.

2011-09-01

This paper presents the foundations of a large scale - localized wavelet - polarization analysis - inhomogeneous laser images of histological sections of myocardial tissue. Opportunities were identified defining relations between the structures of wavelet coefficients and causes of death. The optical model of polycrystalline networks of myocardium protein fibrils is presented. The technique of determining the coordinate distribution of polarization azimuth of the points of laser images of myocardium histological sections is suggested. The results of investigating the interrelation between the values of statistical (statistical moments of the 1st-4th order) parameters are presented which characterize distributions of wavelet - coefficients polarization maps of myocardium layers and death reasons.

Ethically Important Moments in the Higher Education Space of Appearance: Renewing Educative Praxis with Arendt

ERIC Educational Resources Information Center

Taylor, Carol A.

2017-01-01

This article proposes a novel theorisation of higher education classroom spaces by bringing Arendt's concept of the space of appearance into relation with Guillemin and Gillam's notion of ethically important moments. The main arguments are first, that a focus on ethically important moments within the higher education space of appearance enables a…

Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine

PubMed Central

2017-01-01

The solvatochromic effects of six different solvents on the UV absorption spectrum of 2-thiocytosine have been studied by a combination of experimental and theoretical techniques. The steady-state absorption spectra show significant shifts of the absorption bands, where in more polar solvents the first absorption maximum shifts to higher transition energies and the second maximum to lower energies. The observed solvatochromic shifts have been rationalized using three popular solvatochromic scales and with high-level multireference quantum chemistry calculations including implicit and explicit solvent effects. It has been found that the dipole moments of the excited states account for some general shifts in the excitation energies, whereas the explicit solvent interactions explain the differences in the spectra recorded in the different solvents. PMID:28452483

Polarization properties of fluorescent BSA protected Au25 nanoclusters.

PubMed

Raut, Sangram; Chib, Rahul; Rich, Ryan; Shumilov, Dmytro; Gryczynski, Zygmunt; Gryczynski, Ignacy

2013-04-21

BSA protected gold nanoclusters (Au25) are attracting a great deal of attention due to their unique spectroscopic properties and possible use in biophysical applications. Although there are reports on synthetic strategies, spectroscopy and applications, little is known about their polarization behavior. In this study, we synthesized the BSA protected Au25 nanoclusters and studied their steady state and time resolved fluorescence properties including polarization behavior in different solvents: glycerol, propylene glycol and water. We demonstrated that the nanocluster absorption spectrum can be separated from the extinction spectrum by subtraction of Rayleigh scattering. The nanocluster absorption spectrum is well approximated by three Gaussian components. By a comparison of the emissions from BSA Au25 clusters and rhodamine B in water, we estimated the quantum yield of nanoclusters to be higher than 0.06. The fluorescence lifetime of BSA Au25 clusters is long and heterogeneous with an average value of 1.84 μs. In glycerol at -20 °C the anisotropy is high, reaching a value of 0.35. However, the excitation anisotropy strongly depends on the excitation wavelengths indicating a significant overlap of the different transition moments. The anisotropy decay in water reveals a correlation time below 0.2 μs. In propylene glycol the measured correlation time is longer and the initial anisotropy depends on the excitation wavelength. BSA Au25 clusters, due to long lifetime and high polarization, can potentially be used in studying large macromolecules such as protein complexes with large molecular weight.

Observation of Frenkel and charge transfer excitons in pentacene single crystals using spectroscopic generalized ellipsometry

NASA Astrophysics Data System (ADS)

Qi, Dongchen; Su, Haibin; Bastjan, M.; Jurchescu, O. D.; Palstra, T. M.; Wee, Andrew T. S.; Rübhausen, M.; Rusydi, A.

2013-09-01

We report on the emerging and admixture of Frenkel and charge transfer (CT) excitons near the absorption onset in pentacene single crystals. Using high energy-resolution spectroscopic generalized ellipsometry with in-plane polarization dependence, the excitonic nature of three lowest lying excitations is discussed. Their distinct polarization dependence strongly indicates the presence of both Frenkel and CT types of excitons near the excitation onset. In particular, the peculiar polarization behavior of the second excitation can only be rationalized by taking into account the inherent CT transition dipole moment. This observation has important implications for the pentacene-based optoelectronic devices.

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

NASA Astrophysics Data System (ADS)

Mandal, Sumit; Saha, Shyamal K.

2014-10-01

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

Statistical and fractal analysis of autofluorescent myocardium images in posthumous diagnostics of acute coronary insufficiency

NASA Astrophysics Data System (ADS)

Boichuk, T. M.; Bachinskiy, V. T.; Vanchuliak, O. Ya.; Minzer, O. P.; Garazdiuk, M.; Motrich, A. V.

2014-08-01

This research presents the results of investigation of laser polarization fluorescence of biological layers (histological sections of the myocardium). The polarized structure of autofluorescence imaging layers of biological tissues was detected and investigated. Proposed the model of describing the formation of polarization inhomogeneous of autofluorescence imaging biological optically anisotropic layers. On this basis, analytically and experimentally tested to justify the method of laser polarimetry autofluorescent. Analyzed the effectiveness of this method in the postmortem diagnosis of infarction. The objective criteria (statistical moments) of differentiation of autofluorescent images of histological sections myocardium were defined. The operational characteristics (sensitivity, specificity, accuracy) of these technique were determined.

Investigation of head group behaviour of lamellar liquid crystals

NASA Astrophysics Data System (ADS)

Delikatny, E. J.; Burnell, E. E.

A mean field equilibrium statistical mechanical model, based on the Samulski inertial frame model, was developed to simulate experimental dipolar and quadrupolar nmr couplings of isotopically substituted potassium palmitates. An isolated four spin system was synthesized (2,2,3,3,-H4-palmitic acid-d27) and in conjunction with data presented in a previous paper on perdeuterated and carbon 13 labelled soaps, the head group behaviour of the molecule was investigated. Two interactions were considered in the modelling procedure: a mean field steric interaction characterized by a constraining cylinder, and a head group interaction characterized by a mass on the end of a rod of variable length. The rod lies along the first C-C bond direction and accounts for the interaction between polar head group and water via its effect on the moment of inertia of the molecule. In potassium palmitate mean field steric repulsive forces remain constant over the entire temperature range studied. In contrast, electrostatic interactions between polar head group and water, approximately constant at higher temperatures, increase dramatically as the phase transition is approached. This evidence supports a previously proposed model of lipidwater interaction.

Spin transport properties of n-polyacene molecules (n = 1–15) connected to Ni surface electrodes: Theoretical analysis

PubMed Central

Caliskan, S.; Laref, A.

2014-01-01

Using non-equilibrium Green function formalism in conjunction with density functional theory, we explore the spin-polarized transport characteristics of several planar n-acene molecules suspended between two semi-infinite Ni electrodes via the thiol group. We examine the spin-dependence transport on Ni-n-acenes-Ni junctions, while the number of fused benzene rings varies between 1 and 15. Intriguingly, the induced magnetic moments of small acene molecules are higher than that of longer acene rings. The augmentation of fused benzene rings affects both the magnetic and transport features, such as the transmission function and conductance owing to their coupling to the Ni surface contacts via the anchoring group. The interplay between the spin-polarized transport properties, structural configuration and molecular electronic is a fortiori essential in these attractive molecular devices. Thus, this can conduct to the engineering of the electron spin transport in atomistic and molecular junctions. These prominent molecules convincingly infer that the molecular spin valves can conduct to thriving molecular devices. PMID:25482076

Impact of bulk and surface properties of some biocompatible hydrophobic polymers on the stability of methylene chloride-in-water mini-emulsions used to prepare nanoparticles by emulsification-solvent evaporation.

PubMed

Babak, Valery G; Baros, Francis; Boulanouar, Omar; Boury, Frank; Fromm, Michel; Kildeeva, Nathalie R; Ubrich, Nathalie; Maincent, Philippe

2007-10-01

The emulsifying and stabilizing ability of several hydrophobic (insoluble in water and soluble in volatile organic solvents) polymers, such as Eudragit RL, Eudragit RS, PLGA, PCL, and their mixtures, with regard to the methylene chloride (MC)-in-water mini-emulsions, has been compared to the viscosity of MC solutions and to the properties of adsorption and spread monolayers of these polymers. Eudragits RS and RL contain approximately 2.5 and approximately 5 mol% of pendent cationic trimethylammonium (TMA) groups per approximately 164 g/mol segments, whereas PLGA and PCL contain 1 and 2 polar carbonyl groups per 130 and 114 g/mol, respectively. The electrostatic attraction between the dipoles, formed by TMA groups and the condensed counter ions in the MC solutions, leads to the contraction of macromolecular coils of Eudragits, whereas the PLGA and PCL macromolecules, interacting by low polar carbonyl groups (with dipole moment mu = 2.7 D) retain more extended conformation in MC. This explains why the characteristic viscosities [eta] of MC solutions are much lower for the former polymers ( approximately 0.1 dL/g) with regard to PLGA and PCL solutions whose [eta] is equal to 0.3 and 0.6 dL/g, respectively. The ionization of TMA groups in contact with the water phase leads to the irreversible adsorption of Eudragits at the MC/water interface and to high decrease of the interfacial tension gamma (down to 4 mN/m for the 5% MC solutions). Whereas PLGA and PCL possessing low polar carbonyl groups adsorb poorly at the MC/water interface exhibiting gamma congruent with 28 mN/m. Higher stability of spread monolayers of Eudragits (pi* approximately 40 mN/m) with regard to PLGA and PCL (pi* < 20 mN/m) correlates well with higher interfacial activity of the former with regard to the later. The higher surface potential DeltaV of Eudragits (0.9 V) with regard to PLGA (0.3 V) and PCL (0.4V) is explained by the formation of electric double layer (DL) by the former, whereas the later contribute to the DeltaV only by cumulative dipole moments of carbonyl groups. The experimental values of surface potentials correlate well with the Gouy-Chapman model of the DL and the Helmholtz model of the monolayer. The ensemble of experimental results leads to the conclusion that higher emulsifying and stabilizing ability of Eudragits with regard to PLGA and PCL is due to higher adsorption activity of the former which form the corona of polymeric chains with ionized TMA groups around the droplets. It can be postulated that Eudragit polymers have good surface active properties which may allow manufacturing of biocompatible nanoparticles by emulsification-solvent evaporation method without surfactants.

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.

Determination of the orbital moment and crystal-field splitting in LaTiO3.

PubMed

Haverkort, M W; Hu, Z; Tanaka, A; Ghiringhelli, G; Roth, H; Cwik, M; Lorenz, T; Schüssler-Langeheine, C; Streltsov, S V; Mylnikova, A S; Anisimov, V I; de Nadai, C; Brookes, N B; Hsieh, H H; Lin, H-J; Chen, C T; Mizokawa, T; Taguchi, Y; Tokura, Y; Khomskii, D I; Tjeng, L H

2005-02-11

Utilizing a sum rule in a spin-resolved photoelectron spectroscopic experiment with circularly polarized light, we show that the orbital moment in LaTiO3 is strongly reduced from its ionic value, both below and above the Ne el temperature. Using Ti L2,3 x-ray absorption spectroscopy as a local probe, we found that the crystal-field splitting in the t2g subshell is about 0.12-0.30 eV. This large splitting does not facilitate the formation of an orbital liquid.

Propagation properties of a partially coherent radially polarized beam in atmospheric turbulence

NASA Astrophysics Data System (ADS)

Zheng, Guo; Wang, Lin; Wang, Jue; Zhou, Muchun; Song, Minmin

2018-07-01

Based on the extended Huygens-Fresnel integral, second-order moments of the Wigner distribution function of a partially coherent radially polarized beam propagating through atmospheric turbulence are derived. Besides, propagation properties such as the mean-squared beam width, angular width, effective radius of curvature, beam propagation factor and Rayleigh range can also be obtained and calculated numerically. It is shown that the propagation properties are dependent on the spatial correlation length, refraction index structure constant and propagation distance.

Storage rings for spin-polarized hydrogen

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

Thompson, D.; Lovelace, R.V.E.; Lee, D.

1989-11-01

A strong-focusing storage ring is proposed for the long-term magnetic confinement of a collisional gas of neutral spin-polarized hydrogen atoms in the Za{l arrow} and Zb{l arrow} hyperfine states. The trap uses the interaction of the magnetic moments of the gas atoms with a static magnetic field. Laser cooling and evaporative cooling can be utilized to enhance the confinement and to offset the influence of viscous heating. An important application of the trap is to the attainment of Bose--Einstein condensation.

Color vision abnormalities in type II diabetes: Sankara Nethralaya Diabetic Retinopathy Epidemiology and Molecular Genetics Study II report no 2

PubMed Central

Gella, Laxmi; Raman, Rajiv; Kulothungan, Vaitheeswaran; Pal, Swakshyar Saumya; Ganesan, Suganeswari; Srinivasan, Sangeetha; Sharma, Tarun

2017-01-01

Purpose: The purpose of this study is to assess color vision abnormalities in a cohort of subjects with type II diabetes and elucidate associated risk factors. Methods: Subjects were recruited from follow-up cohort of Sankara Nethralaya Diabetic Retinopathy Epidemiology and Molecular Genetics Study I. Six hundred and seventy-three eyes of 343 subjects were included from this population-based study. All subjects underwent detailed ophthalmic evaluation, including the Farnsworth-Munsell 100 hue test. Results: The prevalence of impaired color vision (ICV) was 43% (CI: 39.2–46.7). Risk factors for ICV were higher heart rate (odds ratio [OR]: 1.043, [1.023–1.064]) and a higher intraocular pressure (IOP) (OR: 1.086, [1.012–1.165]). Subjects with clinically significant macular edema (CSME) had three times higher chance of having ICV. C1, C2, and C3 are the commonly found Early Treatment Diabetic Retinopathy Study (ETDRS) patterns. The moment of inertia method showed that the angle did not reveal any specific pattern of color vision defect. Although the major and minor radii were high in those with ICV, we did not observe polarity. Confusion index was high in subjects with ICV, indicating a severe color vision defect. Conclusions: The prevalence of ICV was 43% among subjects with type II diabetes. The most commonly observed patterns were increasing severities of the blue–yellow defect on ETDRS patterns, but no specific pattern was observed at the moment of inertia analysis. The presence of CSME, a higher heart rate, and IOP was significant risk factors for ICV. This functional impairment in color vision could significantly contribute to morbidity among subjects with diabetes. PMID:29044066

Color vision abnormalities in type II diabetes: Sankara Nethralaya Diabetic Retinopathy Epidemiology and Molecular Genetics Study II report no 2.

PubMed

Gella, Laxmi; Raman, Rajiv; Kulothungan, Vaitheeswaran; Pal, Swakshyar Saumya; Ganesan, Suganeswari; Srinivasan, Sangeetha; Sharma, Tarun

2017-10-01

The purpose of this study is to assess color vision abnormalities in a cohort of subjects with type II diabetes and elucidate associated risk factors. Subjects were recruited from follow-up cohort of Sankara Nethralaya Diabetic Retinopathy Epidemiology and Molecular Genetics Study I. Six hundred and seventy-three eyes of 343 subjects were included from this population-based study. All subjects underwent detailed ophthalmic evaluation, including the Farnsworth-Munsell 100 hue test. The prevalence of impaired color vision (ICV) was 43% (CI: 39.2-46.7). Risk factors for ICV were higher heart rate (odds ratio [OR]: 1.043, [1.023-1.064]) and a higher intraocular pressure (IOP) (OR: 1.086, [1.012-1.165]). Subjects with clinically significant macular edema (CSME) had three times higher chance of having ICV. C1, C2, and C3 are the commonly found Early Treatment Diabetic Retinopathy Study (ETDRS) patterns. The moment of inertia method showed that the angle did not reveal any specific pattern of color vision defect. Although the major and minor radii were high in those with ICV, we did not observe polarity. Confusion index was high in subjects with ICV, indicating a severe color vision defect. The prevalence of ICV was 43% among subjects with type II diabetes. The most commonly observed patterns were increasing severities of the blue-yellow defect on ETDRS patterns, but no specific pattern was observed at the moment of inertia analysis. The presence of CSME, a higher heart rate, and IOP was significant risk factors for ICV. This functional impairment in color vision could significantly contribute to morbidity among subjects with diabetes.

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

Santos, O. L.; Fonseca, T. L., E-mail: tertius@ufg.br; Sabino, J. R.

We present theoretical results for the dipole moment, linear polarizability, and first hyperpolarizability of the urea and thiourea molecules in solid phase. The in-crystal electric properties were determined by applying a supermolecule approach in combination with an iterative electrostatic scheme, in which the surrounding molecules are represented by point charges. It is found for both urea and thiourea molecules that the influence of the polarization effects is mild for the linear polarizability, but it is marked for the dipole moment and first hyperpolarizability. The replacement of oxygen atoms by sulfur atoms increases, in general, the electric responses. Our second-order Møller–Plessetmore » perturbation theory based iterative scheme predicts for the in-crystal dipole moment of urea and thiourea the values of 7.54 and 9.19 D which are, respectively, increased by 61% and 58%, in comparison with the corresponding isolated values. The result for urea is in agreement with the available experimental result of 6.56 D. In addition, we present an estimate of macroscopic quantities considering explicit unit cells of urea and thiourea crystals including environment polarization effects. These supermolecule calculations take into account partially the exchange and dispersion effects. The results illustrate the role played by the electrostatic interactions on the static second-order nonlinear susceptibility of the urea crystal.« less

Tunable magnetism of 3d transition metal doped BiFeO3

NASA Astrophysics Data System (ADS)

Lu, S.; Li, C.; Zhao, Y. F.; Gong, Y. Y.; Niu, L. Y.; Liu, X. J.; Wang, T.

2017-10-01

Electronic polarization or bond relaxation can effectively alter the electronic and magnetic behavior of materials by doping impurity atom. For this aim, the thermodynamic, electronic and magnetic performances of cubic BiFeO3 have been modulated by the 3d transition metal (TM) dopants (Sc, Ti, V, Cr, Mn, Co, Ni, Cu and Zn) based on the density functional theory. Results show that the doped specimen with low impurity concentration is more stable than that with high impurity concentration. The Mulliken charge values and spin magnetic moments of TM element are making major changes, while those of all host atoms are making any major changes. Especially, it is the linear relation between the spin magnetic moments of TM dopants and the total magnetic moment of doped specimens; thus, the variations of total magnetic moment of doped specimens are decided by the spin magnetic moments of TM dopants, thought the total magnetic moments of doped specimens mainly come from Fe atom and TM dopants. Besides, as double TM atoms substitution the Fe atoms, the Sc-, Ti-, Mn-, Co- and Zn-doped specimens show AFM state, while the V-, Cr-, Ni- and Cu-doped specimens show FM state.

Corrugated Waveguide Mode Content Analysis Using Irradiance Moments

PubMed Central

Jawla, Sudheer K.; Shapiro, Michael A.; Idei, Hiroshi; Temkin, Richard J.

2015-01-01

We present a novel, relatively simple method for determining the mode content of the linearly polarized modes of a corrugated waveguide using the moments of the intensity pattern of the field radiated from the end of the waveguide. This irradiance moment method is based on calculating the low-order irradiance moments, using measured intensity profiles only, of the radiated field from the waveguide aperture. Unlike the phase retrieval method, this method does not use or determine the phase distribution at the waveguide aperture. The new method was benchmarked numerically by comparison with sample mode mixtures. The results predict less than ±0.7% error bar in the retrieval of the mode content. The method was also tested using high-resolution experimental data from beams radiated from 63.5 mm and 19 mm corrugated waveguides at 170 and 250 GHz, respectively. The results showed a very good agreement of the mode content retrieved using the irradiance moment method versus the phase retrieval technique. The irradiance moment method is most suitable for cases where the modal power is primarily in the fundamental HE11 mode, with <8% of the power in high-order modes. PMID:25821260

A Large Solid Inner Core at Mercury

NASA Astrophysics Data System (ADS)

Genova, A.; Goossens, S.; Mazarico, E.; Lemoine, F. G.; Neumann, G. A.; Kuang, W.; Sabaka, T. J.; Smith, D. E.; Zuber, M. T.

2018-05-01

New measurements of the polar moments of inertia of the whole planet and of the outer layers (crust+mantle), and simulations of Mercury’s magnetic field dynamo suggest the presence of a solid inner core with a Ric 0.3-0.5 Roc.

A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature

PubMed Central

2012-01-01

Combining long-range magnetic order with polarity in the same structure is a prerequisite for the design of (magnetoelectric) multiferroic materials. There are now several demonstrated strategies to achieve this goal, but retaining magnetic order above room temperature remains a difficult target. Iron oxides in the +3 oxidation state have high magnetic ordering temperatures due to the size of the coupled moments. Here we prepare and characterize ScFeO3 (SFO), which under pressure and in strain-stabilized thin films adopts a polar variant of the corundum structure, one of the archetypal binary oxide structures. Polar corundum ScFeO3 has a weak ferromagnetic ground state below 356 K—this is in contrast to the purely antiferromagnetic ground state adopted by the well-studied ferroelectric BiFeO3. PMID:22280499

Design and performance of the spin asymmetries of the nucleon experiment

NASA Astrophysics Data System (ADS)

Maxwell, J. D.; Armstrong, W. R.; Choi, S.; Jones, M. K.; Kang, H.; Liyanage, A.; Meziani, Z.-E.; Mulholland, J.; Ndukum, L.; Rondón, O. A.; Ahmidouch, A.; Albayrak, I.; Asaturyan, A.; Ates, O.; Baghdasaryan, H.; Boeglin, W.; Bosted, P.; Brash, E.; Brock, J.; Butuceanu, C.; Bychkov, M.; Carlin, C.; Carter, P.; Chen, C.; Chen, J.-P.; Christy, M. E.; Covrig, S.; Crabb, D.; Danagoulian, S.; Daniel, A.; Davidenko, A. M.; Davis, B.; Day, D.; Deconinck, W.; Deur, A.; Dunne, J.; Dutta, D.; El Fassi, L.; Elaasar, M.; Ellis, C.; Ent, R.; Flay, D.; Frlez, E.; Gaskell, D.; Geagla, O.; German, J.; Gilman, R.; Gogami, T.; Gomez, J.; Goncharenko, Y. M.; Hashimoto, O.; Higinbotham, D. W.; Horn, T.; Huber, G. M.; Jones, M.; Kalantarians, N.; Kang, H. K.; Kawama, D.; Keith, C.; Keppel, C.; Khandaker, M.; Kim, Y.; King, P. M.; Kohl, M.; Kovacs, K.; Kubarovsky, V.; Li, Y.; Liyanage, N.; Luo, W.; Mamyan, V.; Markowitz, P.; Maruta, T.; Meekins, D.; Melnik, Y. M.; Mkrtchyan, A.; Mkrtchyan, H.; Mochalov, V. V.; Monaghan, P.; Narayan, A.; Nakamura, S. N.; Nuruzzaman; Pentchev, L.; Pocanic, D.; Posik, M.; Puckett, A.; Qiu, X.; Reinhold, J.; Riordan, S.; Roche, J.; Sawatzky, B.; Shabestari, M.; Slifer, K.; Smith, G.; Soloviev, L.; Solvignon, P.; Tadevosyan, V.; Tang, L.; Vasiliev, A. N.; Veilleux, M.; Walton, T.; Wesselmann, F.; Wood, S. A.; Yao, H.; Ye, Z.; Zhu, L.

2018-03-01

The Spin Asymmetries of the Nucleon Experiment (SANE) performed inclusive, double-polarized electron scattering measurements of the proton at the Continuous Electron Beam Accelerator Facility at Jefferson Lab. A novel detector array observed scattered electrons of four-momentum transfer 2 . 5

A CMB polarization primer

NASA Astrophysics Data System (ADS)

Hu, Wayne; White, Martin

1997-10-01

We present a pedagogical and phenomenological introduction to the study of cosmic microwave background (CMB) polarization to build intuition about the prospects and challenges facing its detection. Thomson scattering of temperature anisotropies on the last scattering surface generates a linear polarization pattern on the sky that can be simply read off from their quadrupole moments. These in turn correspond directly to the fundamental scalar (compressional), vector (vortical), and tensor (gravitational wave) modes of cosmological perturbations. We explain the origin and phenomenology of the geometric distinction between these patterns in terms of the so-called electric and magnetic parity modes, as well as their correlation with the temperature pattern. By its isolation of the last scattering surface and the various perturbation modes, the polarization provides unique information for the phenomenological reconstruction of the cosmological model. Finally we comment on the comparison of theory with experimental data and prospects for the future detection of CMB polarization.

Systematics of Rydberg Series of Diatomic Molecules and Correlation Diagrams

NASA Astrophysics Data System (ADS)

Lee, Chun-Woo

2015-06-01

Rydberg states are studied for H2, Li2, HeH, LiH and BeH using the multi-reference configuration interaction (MRCI) method. The systematics and regularities of the physical properties such as potential energies curves (PECs), quantum defect curves, permanent dipole moment and transition dipole moment curves of the Rydberg series are studied. They are explained using united atom perturbation theory by Bingel and Byers-Brown, Fermi model, Stark theory, and Mulliken's theory. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, indicating that the members of the l-mixed Rydberg series have dipole moments with opposite directions, which are related to the reversal of the polarity of a dipole moment at the avoided crossing points. The assignment of highly excited states is difficult because of the usual absence of the knowledge on the behaviors of potential energy curves at small internuclear separation whereby the correlation between the united atom limit and separated atoms limit cannot be given. All electron MRCI calculations of PECs are performed to obtain the correlation diagrams between Rydberg orbitals at the united-atom and separated atoms limits.

Two-dimensional shape classification using generalized Fourier representation and neural networks

NASA Astrophysics Data System (ADS)

Chodorowski, Artur; Gustavsson, Tomas; Mattsson, Ulf

2000-04-01

A shape-based classification method is developed based upon the Generalized Fourier Representation (GFR). GFR can be regarded as an extension of traditional polar Fourier descriptors, suitable for description of closed objects, both convex and concave, with or without holes. Explicit relations of GFR coefficients to regular moments, moment invariants and affine moment invariants are given in the paper. The dual linear relation between GFR coefficients and regular moments was used to compare shape features derive from GFR descriptors and Hu's moment invariants. the GFR was then applied to a clinical problem within oral medicine and used to represent the contours of the lesions in the oral cavity. The lesions studied were leukoplakia and different forms of lichenoid reactions. Shape features were extracted from GFR coefficients in order to classify potentially cancerous oral lesions. Alternative classifiers were investigated based on a multilayer perceptron with different architectures and extensions. The overall classification accuracy for recognition of potentially cancerous oral lesions when using neural network classifier was 85%, while the classification between leukoplakia and reticular lichenoid reactions gave 96% (5-fold cross-validated) recognition rate.

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.

Effects of the scatter in sunspot group tilt angles on the large-scale magnetic field at the solar surface

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

Jiang, J.; Cameron, R. H.; Schüssler, M., E-mail: jiejiang@nao.cas.cn

The tilt angles of sunspot groups represent the poloidal field source in Babcock-Leighton-type models of the solar dynamo and are crucial for the build-up and reversals of the polar fields in surface flux transport (SFT) simulations. The evolution of the polar field is a consequence of Hale's polarity rules, together with the tilt angle distribution which has a systematic component (Joy's law) and a random component (tilt-angle scatter). We determine the scatter using the observed tilt angle data and study the effects of this scatter on the evolution of the solar surface field using SFT simulations with flux input basedmore » upon the recorded sunspot groups. The tilt angle scatter is described in our simulations by a random component according to the observed distributions for different ranges of sunspot group size (total umbral area). By performing simulations with a number of different realizations of the scatter we study the effect of the tilt angle scatter on the global magnetic field, especially on the evolution of the axial dipole moment. The average axial dipole moment at the end of cycle 17 (a medium-amplitude cycle) from our simulations was 2.73 G. The tilt angle scatter leads to an uncertainty of 0.78 G (standard deviation). We also considered cycle 14 (a weak cycle) and cycle 19 (a strong cycle) and show that the standard deviation of the axial dipole moment is similar for all three cycles. The uncertainty mainly results from the big sunspot groups which emerge near the equator. In the framework of Babcock-Leighton dynamo models, the tilt angle scatter therefore constitutes a significant random factor in the cycle-to-cycle amplitude variability, which strongly limits the predictability of solar activity.« less

Present Kinematic Regime and Recent Seismicity of Gulf Suez, Egypt

NASA Astrophysics Data System (ADS)

Mohamed, G.-E. A.; Abd El-Aal, A. K.

2018-01-01

In this study we computed recent seismicity and present kinematic regime in the northern and middle zones of Gulf of Suez as inferred from moment tensor settlings and focal mechanism of local earthquakes that happened in this region. On 18 and 22 of July, 2014 two moderate size earthquakes of local magnitudes 4.2 and 4.1 struck the northern zone of Gulf of Suez near Suez City. These events are instrumentally recorded by Egyptian National Seismic Network (ENSN). The earthquakes have been felt at Suez City and greater Cairo metropolitan zone while no losses were reported. The source mechanism and source parameters of the calculated events were considered by the near-source waveform data listed at very broadband stations of ENSN and supported by the P-wave polarity data of short period stations. The new settling method and software used deem the action of the source time function, which has been ignored in most of the program series of the moment tensor settling analysis with near source seismograms. The obtained results from settling technique indicate that the estimated seismic moments of both earthquakes are 0.6621E + 15 and 0.4447E + 15 Nm conforming to a moment magnitude Mw 3.8 and 3.7 respectively. The fault plan settlings obtained from both settling technique and polarity of first-arrival indicate the dominance of normal faulting. We also evaluated the stress field in north and middle zones of Gulf of Suez using a multiple inverse method. The prime strain axis shows that the deformation is taken up mainly as stretching in the E-W and NE-SW direction.

Detrended fluctuation analysis based on higher-order moments of financial time series

NASA Astrophysics Data System (ADS)

Teng, Yue; Shang, Pengjian

2018-01-01

In this paper, a generalized method of detrended fluctuation analysis (DFA) is proposed as a new measure to assess the complexity of a complex dynamical system such as stock market. We extend DFA and local scaling DFA to higher moments such as skewness and kurtosis (labeled SMDFA and KMDFA), so as to investigate the volatility scaling property of financial time series. Simulations are conducted over synthetic and financial data for providing the comparative study. We further report the results of volatility behaviors in three American countries, three Chinese and three European stock markets by using DFA and LSDFA method based on higher moments. They demonstrate the dynamics behaviors of time series in different aspects, which can quantify the changes of complexity for stock market data and provide us with more meaningful information than single exponent. And the results reveal some higher moments volatility and higher moments multiscale volatility details that cannot be obtained using the traditional DFA method.

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.

Low-moment ferrimagnetic phase of the Heusler compound Cr2CoAl

NASA Astrophysics Data System (ADS)

Jamer, Michelle E.; Marshall, Luke G.; Sterbinsky, George E.; Lewis, Laura H.; Heiman, Don

2015-11-01

Synthesizing half-metallic fully compensated ferrimagnets that form in the inverse Heusler phase could lead to superior spintronic devices. These materials would have high spin polarization at room temperature with very little fringing magnetic fields. Previous theoretical studies indicated that Cr2CoAl should form in a stable inverse Heusler lattice due to its low activation energy. Here, stoichiometric Cr2CoAl samples were arc-melted and annealed at varying temperatures, followed by studies of their structural and magnetic properties. High-resolution synchrotron X-ray diffraction revealed a chemically ordered Heusler phase in addition to CoAl and Cr phases. Soft X-ray magnetic circular dichroism revealed that the Cr and Co magnetic moments are antiferromagnetically oriented leading to the observed low magnetic moment in Cr2CoAl.

Promotion of dropwise condensation of ethyl alcohol, methyl alcohol, and acetone by polytetrafluoroethylene

NASA Technical Reports Server (NTRS)

Kirby, C. E.

1972-01-01

Coating condensing surfaces with thin layer of nonpolar Teflon results in dropwise condensation of polar organic vapor. Greater heat transfer coefficients are produced increasing effectiveness of condensing system. Investigation shows that vapors with strong dipole moment tend to condense dropwise.

Polarized two-photon photoselection in EGFP: Theory and experiment

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

A comparative study on magnetism in Zn-doped AlN and GaN from first-principles

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

Xu, Liang; Wang, Lingling, E-mail: llwang@hnu.edu.cn, E-mail: xiaowenzhi@hnu.edu.cn; Huang, Weiqing

2014-09-14

First-principles calculations have been used to comparatively investigate electronic and magnetic properties of Zn-doped AlN and GaN. A total magnetic moment of 1.0 μ B{sub B} induced by Zn is found in AlN, but not in GaN. Analyses show that the origin of spontaneous polarization not only depend on the localized atomic orbitals of N and sufficient hole concentration, but also the relative intensity of the covalency of matrix. The relatively stronger covalent character of GaN with respect to AlN impedes forming local magnetic moment in GaN matrix. Our study offers a fresh sight of spontaneous spin polarization in d⁰more » magnetism. The much stronger ferromagnetic coupling in c-plane of AlN means that it is feasible to realize long-range ferromagnetic order via monolayer delta-doping. This can apply to other wide band-gap semiconductors in wurtzite structure.« less

Software package for modeling spin–orbit motion in storage rings

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

Zyuzin, D. V., E-mail: d.zyuzin@fz-juelich.de

2015-12-15

A software package providing a graphical user interface for computer experiments on the motion of charged particle beams in accelerators, as well as analysis of obtained data, is presented. The software package was tested in the framework of the international project on electric dipole moment measurement JEDI (Jülich Electric Dipole moment Investigations). The specific features of particle spin motion imply the requirement to use a cyclic accelerator (storage ring) consisting of electrostatic elements, which makes it possible to preserve horizontal polarization for a long time. Computer experiments study the dynamics of 10{sup 6}–10{sup 9} particles in a beam during 10{supmore » 9} turns in an accelerator (about 10{sup 12}–10{sup 15} integration steps for the equations of motion). For designing an optimal accelerator structure, a large number of computer experiments on polarized beam dynamics are required. The numerical core of the package is COSY Infinity, a program for modeling spin–orbit dynamics.« less

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

PubMed

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

2018-04-07

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

Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems.

PubMed

Shiraogawa, Takafumi; Ehara, Masahiro; Jurinovich, Sandro; Cupellini, Lorenzo; Mennucci, Benedetta

2018-06-15

Recently, a method to calculate the absorption and circular dichroism (CD) spectra based on the exciton coupling has been developed. In this work, the method was utilized for the decomposition of the CD and circularly polarized luminescence (CPL) spectra of a multichromophoric system into chromophore contributions for recently developed through-space conjugated oligomers. The method which has been implemented using rotatory strength in the velocity form and therefore it is gauge-invariant, enables us to evaluate the contribution from each chromophoric unit and locally excited state to the CD and CPL spectra of the total system. The excitonic calculations suitably reproduce the full calculations of the system, as well as the experimental results. We demonstrate that the interactions between electric transition dipole moments of adjacent chromophoric units are crucial in the CD and CPL spectra of the multichromophoric systems, while the interactions between electric and magnetic transition dipole moments are not negligible. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Theoretical study on the ground state of the polar alkali-metal-barium molecules: Potential energy curve and permanent dipole moment

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

Gou, Dezhi; Kuang, Xiaoyu, E-mail: scu-kuang@163.com; Gao, Yufeng

2015-01-21

In this paper, we systematically investigate the electronic structure for the {sup 2}Σ{sup +} ground state of the polar alkali-metal-alkaline-earth-metal molecules BaAlk (Alk = Li, Na, K, Rb, and Cs). Potential energy curves and permanent dipole moments (PDMs) are determined using power quantum chemistry complete active space self-consistent field and multi-reference configuration interaction methods. Basic spectroscopic constants are derived from ro-vibrational bound state calculation. From the calculations, it is shown that BaK, BaRb, and BaCs molecules have moderate values of PDM at the equilibrium bond distance (BaK:1.62 D, BaRb:3.32 D, and BaCs:4.02 D). Besides, the equilibrium bond length (4.93 Åmore » and 5.19 Å) and dissociation energy (0.1825 eV and 0.1817 eV) for the BaRb and BaCs are also obtained.« less

Magnetism of a relaxed single atom vacancy in graphene

NASA Astrophysics Data System (ADS)

Wu, Yunyi; Hu, Yonghong; Xue, Li; Sun, Tieyu; Wang, Yu

2018-04-01

It has been suggested in literature that defects in graphene (e.g. absorbed atoms and vacancies) may induce magnetizations due to unpaired electrons. The nature of magnetism, i.e. ferromagnetic or anti-ferromagnetic, is dependent on a number of structural factors including locations of magnetic moments and lattice symmetry. In the present work we investigated the influence of a relaxed single atom vacancy in garphnene on magnetization which were obtained under different pinning boundary conditions, aiming to achieve a better understanding of the magnetic behaviors of graphene. Through first principles calculations, we found that major spin polarizations occur on atoms that deviate slightly from their original lattice positions, and pinning boundaries could also affect the relaxed positions of atoms and determine which atom(s) would become the main source(s) of total spin polarizations and magnetic moments. When the pinning boundary condition is free, a special non-magnetic and semi-conductive structure may be obtained, suggesting that magnetization should more readily occur under pinning boundary conditions.

Defining Higher-Order Turbulent Moment Closures with an Artificial Neural Network and Random Forest

NASA Astrophysics Data System (ADS)

McGibbon, J.; Bretherton, C. S.

2017-12-01

Unresolved turbulent advection and clouds must be parameterized in atmospheric models. Modern higher-order closure schemes depend on analytic moment closure assumptions that diagnose higher-order moments in terms of lower-order ones. These are then tested against Large-Eddy Simulation (LES) higher-order moment relations. However, these relations may not be neatly analytic in nature. Rather than rely on an analytic higher-order moment closure, can we use machine learning on LES data itself to define a higher-order moment closure?We assess the ability of a deep artificial neural network (NN) and random forest (RF) to perform this task using a set of observationally-based LES runs from the MAGIC field campaign. By training on a subset of 12 simulations and testing on remaining simulations, we avoid over-fitting the training data.Performance of the NN and RF will be assessed and compared to the Analytic Double Gaussian 1 (ADG1) closure assumed by Cloudy Layers Unified By Binormals (CLUBB), a higher-order turbulence closure currently used in the Community Atmosphere Model (CAM). We will show that the RF outperforms the NN and the ADG1 closure for the MAGIC cases within this diagnostic framework. Progress and challenges in using a diagnostic machine learning closure within a prognostic cloud and turbulence parameterization will also be discussed.

Excitation of a Parallel Plate Waveguide by an Array of Rectangular Waveguides

NASA Technical Reports Server (NTRS)

Rengarajan, Sembiam

2011-01-01

This work addresses the problem of excitation of a parallel plate waveguide by an array of rectangular waveguides that arises in applications such as the continuous transverse stub (CTS) antenna and dual-polarized parabolic cylindrical reflector antennas excited by a scanning line source. In order to design the junction region between the parallel plate waveguide and the linear array of rectangular waveguides, waveguide sizes have to be chosen so that the input match is adequate for the range of scan angles for both polarizations. Electromagnetic wave scattered by the junction of a parallel plate waveguide by an array of rectangular waveguides is analyzed by formulating coupled integral equations for the aperture electric field at the junction. The integral equations are solved by the method of moments. In order to make the computational process efficient and accurate, the method of weighted averaging was used to evaluate rapidly oscillating integrals encountered in the moment matrix. In addition, the real axis spectral integral is evaluated in a deformed contour for speed and accuracy. The MoM results for a large finite array have been validated by comparing its reflection coefficients with corresponding results for an infinite array generated by the commercial finite element code, HFSS. Once the aperture electric field is determined by MoM, the input reflection coefficients at each waveguide port, and coupling for each polarization over the range of useful scan angles, are easily obtained. Results for the input impedance and coupling characteristics for both the vertical and horizontal polarizations are presented over a range of scan angles. It is shown that the scan range is limited to about 35 for both polarizations and therefore the optimum waveguide is a square of size equal to about 0.62 free space wavelength.

Adsorption of polar organic molecules on sediments: Case-study on Callovian-Oxfordian claystone.

PubMed

Rasamimanana, S; Lefèvre, G; Dagnelie, R V H

2017-08-01

The release and transport of anthropogenic organic matter through the geosphere is often an environmental criterion of safety. Sedimentary rocks are widely studied in this context as geological barriers for waste management. It is the case of Callovian-Oxfordian claystone (COx), for which several studies report adsorption of anthropogenic organic molecules. In this study, we evaluated and reviewed adsorption data of polar organic molecules on COx claystone. Experiments were performed on raw claystone, decarbonated and clay fractions. Adsorption isotherms were measured with adsorbates of various polarities: adipate, benzoate, ortho-phthalate, succinate, gluconate, oxalate, EDTA, citrate. A significant adsorption was observed for multidentate polycarboxylic acids as evidenced with phthalate, succinate, oxalate, gluconate, EDTA and citrate (R d  = 1.53, 3.52, 8.4, 8.8, 12.4, 54.7 L kg -1 respectively). Multiple linear regression were performed as a statistical analysis to determine the predictors from these adsorption data. A linear correlation between adsorption data (R d ) and dipole moment (μ) of adsorbates was evidenced (R 2  = 0.91). Molecules with a high dipole moment, μ(D) > 2.5, displayed a significant adsorption, R d ≫1 L kg -1 . A qualitative correlation can be easily estimated using the water/octanol partition coefficient, P ow , of adsorbates (R 2  = 0.77). In this case, two opposite trends were distinguished for polar and apolar molecules. The use of organic carbon content in sediments is relevant for predicting adsorption of apolar compounds, log (P ow )>+1. The oxides/clays contents may be relevant regarding polar molecules, log ( apparent P ow )<-1. The proposed scheme offers a general methodology for investigation of geo-barriers towards heterogeneous organic plumes. Copyright © 2017 Elsevier Ltd. All rights reserved.

Dual emission of chalcone-analogue dyes emitting in the red region

NASA Astrophysics Data System (ADS)

Fayed, Tarek A.; Awad, Mohamed K.

2004-08-01

The photophysical properties of new synthesized chalcones namely; 1-(4 '-R-phenyl)-5-(4 '-dimethylaminophenyl)-2,4- pentadien-1-one, [R=H ( 1), Cl ( 2) and OCH 3 ( 3)] were studied in different solvents by using steady-state absorption and emission spectroscopy. The fluorescence spectra of these chalcones exhibit dual emission in medium and polar solvents. The dual emission was attributed to population of a polar locally excited (LE) state and a highly dipolar intramolecular charge transfer (ICT) state. The changes in dipole moments upon excitation were calculated from the solvatochromic plots. The total fluorescence quantum yields ( φf) were also determined, and their values are strongly dependent on the nature of substitutent and the solvent polarity. Semiempirical molecular orbital calculations using the atom superposition and electron delocalization molecular orbital (ASED-MO) method were also performed to investigate the molecular and electronic structures of these chalcones in both the ground and excited state. The change of the dipole moment upon excitation was explained on the basis of changes in the charge redistribution over the whole skeleton of the molecules, which agree well with the experimental results. Also, the nature and energy of the electronic transitions were elucidated and discussed in relation to the experimental data.

Pluto and Triton: Interactions Between Volatiles and Dynamics

NASA Astrophysics Data System (ADS)

Rubincam, D. P.

2001-01-01

Volatiles moving across the surfaces of Pluto and Triton can give rise to interesting dynamical consequences. Conversely, measurement of dynamical states can help constrain the movement of volatiles and interior structure of both bodies. Polar wander may theoretically occur on both Triton and Pluto. Triton's obliquity is low, so that the equatorial regions receive more insolation than the poles. Hence there is a tendency for nitrogen ice to sublime at the equator and condense at the poles, creating polar caps. If the nitrogen supply is large enough, then these caps could move in approximately 105 years the global equivalent of 200 m of ice to the poles. At this point the equatorial moment of inertia becomes larger than the moment of inertia measured about the rotation axis, so that Triton overbalances and becomes dynamically unstable. The satellite then undergoes polar wander, restoring stability when the new equator contains the excess matter. Hence the pole may be continually wandering. Neptune raises a permanent tidal bulge on Triton, so that the satellite's surface is elongated like a football, with the long axis pointing at Neptune. This is expected to be the axis about which the pole wanders. Volatile migration would resurface the satellite to some depth and wandering would disturb leading side/trailing side crater statistics. Additional information is contained in the original extended abstract.

Application of the compensated Arrhenius formalism to fluidity data of polar organic liquids.

PubMed

Petrowsky, Matt; Fleshman, Allison M; Frech, Roger

2013-03-14

The temperature dependence of viscosity (the reciprocal of fluidity) in polar liquids has been studied for over a century, but the available theoretical models have serious limitations. Consequently, the viscosity is often described with empirical equations using adjustable fitting parameters that offer no insight into the molecular mechanism of transport. We have previously reported a novel approach called the compensated Arrhenius formalism (CAF) to describe ionic conductivity, self-diffusion, and dielectric relaxation in terms of molecular and system properties. Here the CAF is applied to fluidity data of pure n-acetates, 2-ketones, n-nitriles, and n-alcohols over the temperature range 5-85 °C. The fluidity is represented as an Arrhenius-like expression that includes a static dielectric constant dependence in the exponential prefactor. The dielectric constant dependence results from the dependence of mass and charge transport on the molecular dipole moment and the solvent dipole density. The CAF is the only self-consistent description of fluid transport in polar liquids written solely in terms of molecular and system parameters. A scaling procedure is used to calculate the activation energy for transport. We find that the activation energies for fluidity of the aprotic liquids are comparable in value, whereas a higher average E(a) value is observed for the n-alcohol data. Finally, we contrast the molecular description of transport presented here with the conventional hydrodynamic model.

Spaceborne Hybrid Quad-Pol SAR Range Ambiguity Analysis and Simulations

NASA Astrophysics Data System (ADS)

Yang, Shilin; Li, Yang; Zhang, Jingjing; Hong, Wen

2014-11-01

The higher levels of range ambiguities in the cross-polarized measurement channels are the primary limitations for the matched quad-pol (e.g., HH, VV, VH, and HV) spaceborne synthetic aperture radar (SAR) systems. These ambiguities severely constrain the useful range of incident angles and the swath widths particularly at larger incidence. Adopting hybridpolarimetric architecture can remarkably reduce these ambiguities. In this paper, we analyse and develop the expression of range ambiguity to signal ratio (RASR) in the hybrid-polarimetric architecture. Simulations are made to testify this novel architecture’s advantage in the improvement of range ambiguities. The system operating parameters are derived from NASA’s DESDynl mission. In addition, we used the second order moments of polarimetric covariance matrices to depict target or the environment which are more precisely.

Spaceborne Hybrid Quad-Pol SAR Range Ambiguity Analysis and Simulations

NASA Astrophysics Data System (ADS)

Yang, Shilin; Li, Yang; Zhang, Jingjing; Hong, Wen

2014-11-01

The higher levels of range ambiguities in the cross- polarized measurement channels are the primary limitations for the matched quad-pol (e.g., HH, VV, VH, and HV) spaceborne synthetic aperture radar (SAR) systems. These ambiguities severely constrain the useful range of incident angles and the swath widths particularly at larger incidence. Adopting hybrid- polarimetric architecture can remarkably reduce these ambiguities. In this paper, we analyse and develop the expression of range ambiguity to signal ratio (RASR) in the hybrid-polarimetric architecture. Simulations are made to testify this novel architecture's advantage in the improvement of range ambiguities. The system operating parameters are derived from NASA's DESDynl mission. In addition, we used the second order moments of polarimetric covariance matrices to depict target or the environment which are more precisely.

Magic tilt angle for stabilizing two-dimensional solitons by dipole-dipole interactions

NASA Astrophysics Data System (ADS)

Chen, Xing-You; Chuang, You-Lin; Lin, Chun-Yan; Wu, Chien-Ming; Li, Yongyao; Malomed, Boris A.; Lee, Ray-Kuang

2017-10-01

In the framework of the Gross-Pitaevskii equation, we study the formation and stability of effectively two-dimensional solitons in dipolar Bose-Einstein condensates (BECs), with dipole moments polarized at an arbitrary angle θ relative to the direction normal to the system's plane. Using numerical methods and the variational approximation, we demonstrate that unstable Townes solitons, created by the contact attractive interaction, may be completely stabilized (with an anisotropic shape) by the dipole-dipole interaction (DDI), in the interval θcr<θ ≤π /2 . The stability boundary θcr weakly depends on the relative strength of the DDI, remaining close to the magic angle θm=arccos(1 /√{3 }) . The results suggest that DDIs provide a generic mechanism for the creation of stable BEC solitons in higher dimensions.

Vertically polarizing undulator with dynamic compensation of magnetic forces

DOE PAGES

Strelnikov, N.; Vasserman, I.; Xu, J.; ...

2017-01-20

As part of the R&D program of the LCLS-II project, a novel 3.4-meter-long undulator prototype with horizontal magnetic field and dynamic force compensation has recently been developed at the Advanced Photon Source (APS). Some previous steps in this development were the shorter 0.8-meter-long and 2.8-meter-long prototypes. Extensive mechanical and magnetic testing was carried out for each prototype, and each prototype was magnetically tuned using magnetic shims. Furthermore, the resulting performance of the 3.4-meter-long undulator prototype meets all requirements for the LCLS-II insertion device, including limits on the field integrals, phase errors, higher-order magnetic moments, and electron-beam trajectory for all operationalmore » gaps, as well as the reproducibility and accuracy of the gap settings.« less

Electrical Tuning of Valley-Polarized Circular Photogalvanic Current in a Monolayer Transition Metal Dichalcogenide

NASA Astrophysics Data System (ADS)

Liu, Lei; Lenferink, Erik J.; Stanev, Teodor K.; Stern, Nathaniel P.; Wei, Guohua

In a monolayer transition metal dichalcogenide that lacks structural inversion symmetry, the valley contrasting properties, particularly the magnetic moment and Berry curvature, offer the possibility to create a population imbalance between the two valleys simply with an external optical field. With the circular photogalvanic effect, the generation of the spin-valley-coupled photocurrent has been demonstrated in chalcogenides. Continuously tuning the valley-polarized current so far has remained largely unexplored in monolayer devices. Here we show the voltage-tunable photocurrent polarization can be achieved in monolayer MoS2 where electric field facilitates the disassociation of excitons and the carrier drift. Gating that modulates the contact barrier and carrier density can switch the monolayer photocurrent polarization on and off with a large valley-polarized current on-off ratio greater than 103. The efficient electrical tuning of valley-polarized photocurrent opens new possibilities for exploiting polarized currents in monolayer semiconductor devices. This work is supported by the National Science Foundation MRSEC program (DMR-1121262) and the U.S. Department of Energy (BES DE-SC0012130). N.P.S. is an Alfred P. Sloan Research Fellow.

New generation high performance in situ polarized 3He system for time-of-flight beam at spallation sources.

PubMed

Jiang, C Y; Tong, X; Brown, D R; Glavic, A; Ambaye, H; Goyette, R; Hoffmann, M; Parizzi, A A; Robertson, L; Lauter, V

2017-02-01

Modern spallation neutron sources generate high intensity neutron beams with a broad wavelength band applied to exploring new nano- and meso-scale materials from a few atomic monolayers thick to complicated prototype device-like systems with multiple buried interfaces. The availability of high performance neutron polarizers and analyzers in neutron scattering experiments is vital for understanding magnetism in systems with novel functionalities. We report the development of a new generation of the in situ polarized 3 He neutron polarization analyzer for the Magnetism Reflectometer at the Spallation Neutron Source at Oak Ridge National Laboratory. With a new optical layout and laser system, the 3 He polarization reached and maintained 84% as compared to 76% in the first-generation system. The polarization improvement allows achieving the transmission function varying from 50% to 15% for the polarized neutron beam with the wavelength band of 2-9 Angstroms. This achievement brings a new class of experiments with optimal performance in sensitivity to very small magnetic moments in nano systems and opens up the horizon for its applications.

The G_E/G_M-ratio of the proton by recoil polarization measurement in e+parrow e'+p

NASA Astrophysics Data System (ADS)

Punjabi, Vina; Jones, Mark; Perdrisat, Charles F.; Quemener, Gilles

1998-10-01

The recently commissioned Hall A high resolution spectrometers (HRS) and the focal plane polarimeter (FPP) were used to obtain the ratio of the electric and magnetic form factors of the proton, G_E/G_M. This form factor ratio is proportional to the measured ratio of the transverse, P_t, to longitudinal, P_l, components of the recoiling proton polarization. The method takes advantage of the precession of the proton magnetic moment in the hadron HRS, which rotates the longitudinal polarization component into the plane of the FPP analyzer; this allows simultaneous measurement of both components of the polarization. The ratio P_t/P_l is independent of both the electron beam polarization and the polarimeter analyzing power. Most of the data were obtained with polarized beams of 100 μ A with polarization of ~ 0.39 incident on the 15 cm cell of the high power LH2 target. We will report the results for G_E/GM at several values of Q^2 between 0.5 and 3.5 GeV^2.

Electromagnetic moments of 22F

NASA Astrophysics Data System (ADS)

Mihara, M.; Matsuta, K.; Komurasaki, J.; Hirano, H.; Nishimura, D.; Momota, S.; Ohtsubo, T.; Izumikawa, T.; Shimbara, Y.; Kubo, T.; Kameda, D.; Zhou, Dongmei; Zheng, Yongnan; Yuan, Daqing; Zhu, Shengyun; Kitagawa, A.; Kanazawa, M.; Torikoshi, M.; Sato, S.; Nagatomo, T.; Matsumiya, R.; Ishikawa, D.; Fukuda, M.; Minamisono, T.; Nojiri, Y.; Alonso, J. R.; Crebs, G. F.; Symons, T. J. M.

2010-03-01

The magnetic dipole (μ) and electric quadrupole (Q) moments of short-lived nucleus 22F (Iπ=4+, T=4.2s) have been measured for the first time by means of the β-NMR technique. A spin polarized 22F beam was produced through the charge exchange reaction of 22Ne and was implanted into single crysltals of NaF and MgF2 for μ and Q measurements, respectively. As a result, |μ(F22)|=(2.69443±0.00039)μ and |Q(F22)|=(3±2)mb was obtained. These values are well reproduced by the shell model calculations.

Production and detection of atomic hexadecapole at Earth's magnetic field.

PubMed

Acosta, V M; Auzinsh, M; Gawlik, W; Grisins, P; Higbie, J M; Jackson Kimball, D F; Krzemien, L; Ledbetter, M P; Pustelny, S; Rochester, S M; Yashchuk, V V; Budker, D

2008-07-21

Optical magnetometers measure magnetic fields with extremely high precision and without cryogenics. However, at geomagnetic fields, important for applications from landmine removal to archaeology, they suffer from nonlinear Zeeman splitting, leading to systematic dependence on sensor orientation. We present experimental results on a method of eliminating this systematic error, using the hexadecapole atomic polarization moment. In particular, we demonstrate selective production of the atomic hexadecapole moment at Earth's magnetic field and verify its immunity to nonlinear Zeeman splitting. This technique promises to eliminate directional errors in all-optical atomic magnetometers, potentially improving their measurement accuracy by several orders of magnitude.

Dipole moment and solvatochromism of benzoic acid liquid crystals: Tuning the dipole moment and molecular orbital energies by substituted Au under external electric field

NASA Astrophysics Data System (ADS)

Sıdır, Yadigar Gülseven; Sıdır, İsa; Demiray, Ferhat

2017-06-01

The optical absorption and steady-state fluorescence spectra of 4-heptyloxybenzoic acid (4hoba), 4-octyloxybenzoic acid (4ooba) and 4-nonyloxybenzoic acid (4noba) liquid crystals have been measured in a series of different polarity organic solvents. The ground state (μg) and excited state (μe) dipole moments of the monomeric and dimeric 4-alkyloxybenzoic acid liquid crystals have been obtained by means of different solvatochromic shift methods. HOMO-LUMO gaps (HLG) and dipole moments have been tuned by applying external electric (EF) field on monomer, dimer and Au substituted monomer and dimer liquid crystal structures. By applying external electric field, Au substituted monomer liquid crystals display semiconductor character, while Au substituted dimer liquid crystals gain metallic character under E = 0.04 V/Å. Eventuated specific and non-specific interactions between solvent and solute in solvent medium have been expounded by using LSER (Linear Solvation Energy Relationships).

Exact lower and upper bounds on stationary moments in stochastic biochemical systems

NASA Astrophysics Data System (ADS)

Ghusinga, Khem Raj; Vargas-Garcia, Cesar A.; Lamperski, Andrew; Singh, Abhyudai

2017-08-01

In the stochastic description of biochemical reaction systems, the time evolution of statistical moments for species population counts is described by a linear dynamical system. However, except for some ideal cases (such as zero- and first-order reaction kinetics), the moment dynamics is underdetermined as lower-order moments depend upon higher-order moments. Here, we propose a novel method to find exact lower and upper bounds on stationary moments for a given arbitrary system of biochemical reactions. The method exploits the fact that statistical moments of any positive-valued random variable must satisfy some constraints that are compactly represented through the positive semidefiniteness of moment matrices. Our analysis shows that solving moment equations at steady state in conjunction with constraints on moment matrices provides exact lower and upper bounds on the moments. These results are illustrated by three different examples—the commonly used logistic growth model, stochastic gene expression with auto-regulation and an activator-repressor gene network motif. Interestingly, in all cases the accuracy of the bounds is shown to improve as moment equations are expanded to include higher-order moments. Our results provide avenues for development of approximation methods that provide explicit bounds on moments for nonlinear stochastic systems that are otherwise analytically intractable.

A wide-band dual-polarized VHF microstrip antenna for global sensing of sea ice thickness

NASA Technical Reports Server (NTRS)

Huang, John; Hussein, Ziad; Petros, Argy

2005-01-01

A VHF microstrip patch antenna was developed to achieve a bandwidth of 45 MHz (30%) from 127 MHz to 172 MHz with dual-linear-polarization capability. This microstrip antenna used foam substrates and dual stacked patches with capacitive probe feeds to achieve wide bandwidth. Four such capacitive feeds were used to achieve dual polarizations with less than -20 dB of cross-polarization level. Twenty-four shorting pins were used on the lower patch to achieve acceptable isolation between the four feed probes. This antenna has a measured gain of 8.5 dB at 137 MHz and 10 dB at 162 MHz. By using the Method of Moments technique, multipath scattering patterns were calculated when the antenna is mounted on the outside of a Twin Otter aircraft.

Vapor–Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization

DOE PAGES

Chialvo, Ariel A.; Moucka, Filip; Vlcek, Lukas; ...

2015-03-24

Here we implemented the Gaussian charge-on-spring (GCOS) version of the original self-consistent field implementation of the Gaussian Charge Polarizable water model and test its accuracy to represent the polarization behavior of the original model involving smeared charges and induced dipole moments. Moreover, for that purpose we adapted the recently developed multiple-particle-move (MPM) within the Gibbs and isochoric-isothermal ensembles Monte Carlo methods for the efficient simulation of polarizable fluids. We also assessed the accuracy of the GCOS representation by a direct comparison of the resulting vapor-liquid phase envelope, microstructure, and relevant microscopic descriptors of water polarization along the orthobaric curve againstmore » the corresponding quantities from the actual GCP water model.« less

Electronic structure and magnetic properties of Pr-Co intermetallics: ab initio FP-LAPW calculations and correlation with experiments

NASA Astrophysics Data System (ADS)

Bakkari, Karim; Fersi, Riadh; Kebir Hlil, El; Bessais, Lotfi; Thabet Mliki, Najeh

2018-03-01

First-principle calculations combining density functional theory and the full-potential linearized augmented plane wave (FP-LAPW) method are performed to investigate the electronic and magnetic structure of Pr2Co7 in its two polymorphic forms, (2:7 H) and (2:7 R), for the first time. This type of calculation was also performed for PrCo5 and PrCo2 intermetallics. We have computed the valence density of states separately for spin-up and spin-down states in order to investigate the electronic band structure. This is governed by the strong contribution of the partial DOS of 3d-Co bands compared to the partial DOS of the 4f-Pr bands. Such a high ferromagnetic state is discussed in terms of the strong spin polarization observed in the total DOS. The magnetic moments carried by the Co and Pr atoms located in several sites for all compounds are computed. These results mainly indicate that cobalt atoms make a dominant contribution to the magnetic moments. The notable difference in the atomic moments of Pr and Co atoms between different structural slabs is explained in terms of the magnetic characteristics of the PrCo2 and PrCo5 compounds and the local chemical environments of the Pr and Co atoms in different structural slabs of Pr2Co7. From spin-polarized calculations we have simulated the 3d and 4f band population to estimate the local magnetic moments. These results are in accordance with the magnetic moments calculated using the FP-LAPW method. In addition, the exchange interactions J ij are calculated and used as input for M(T) simulations. Involving the data obtained from the electronic structure calculations, the appropriate Padé Table is applied to simulate the magnetization M(T) and to estimate the mean-field Curie temperature. We report a fairly good agreement between the ab initio calculation of magnetization and Curie temperature with the experimental data.

Some improvements in DNA interaction calculations

NASA Technical Reports Server (NTRS)

Egan, J. T.; Swissler, T. J.; Rein, R.

1974-01-01

Calculations are made on specific DNA-type complexes using refined expressions for electrostatic and polarization energies. Dispersion and repulsive terms are included in the evaluation of the total interaction energy. It is shown that the expansion of the electrostatic potential to include multipole moments up to octopole is necessary to achieve convergence of first-order energies. Polarization energies are not as sensitive to this expansion. The calculations also support the usefulness of the hard sphere model for DNA hydrogen bonds and indicate how stacking interactions are influenced by second-order energies.

Optical Rabi Oscillations in a Quantum Dot Ensemble

NASA Astrophysics Data System (ADS)

Kujiraoka, Mamiko; Ishi-Hayase, Junko; Akahane, Kouichi; Yamamoto, Naokatsu; Ema, Kazuhiro; Sasaki, Masahide

2010-09-01

We have investigated Rabi oscillations of exciton polarization in a self-assembled InAs quantum dot ensemble. The four-wave mixing signals measured as a function of the average of the pulse area showed the large in-plane anisotropy and nonharmonic oscillations. The experimental results can be well reproduced by a two-level model calculation including three types of inhomogeneities without any fitting parameter. The large anisotropy can be well explained by the anisotropic dipole moments. We also find that the nonharmonic behaviors partly originate from the polarization interference.

How to Reach a Thousand-Second in-Plane Polarization Lifetime with 0.97 - GeV / c Deuterons in a Storage Ring

DOE PAGES

Guidoboni, G.; Stephenson, E.; Andrianov, S.; ...

2016-07-28

Here, we observe a deuteron beam polarization lifetime near 1000 s in the horizontal plane of a magnetic storage ring (COSY). This long spin coherence time is maintained through a combination of beam bunching, electron cooling, sextupole field corrections, and the suppression of collective effects through beam current limits. This record lifetime is required for a storage ring search for an intrinsic electric dipole moment on the deuteron at a statistical sensitivity level approaching 10 -29 $e$ cm.

Effect of lattice distortion on uranium magnetic moments in U4Ru7Ge6 studied by polarized neutron diffraction

NASA Astrophysics Data System (ADS)

Vališka, Michal; Klicpera, Milan; Doležal, Petr; Fabelo, Oscar; Stunault, Anne; Diviš, Martin; Sechovský, Vladimír

2018-03-01

In a cubic ferromagnet, small spontaneous lattice distortions are expected below the Curie temperature, but the phenomenon is usually neglected. This study focuses on such an effect in the U4Ru7Ge6 compound. Based on DFT calculations, we propose a lattice distortion from the cubic I m -3 m space group to a lower, rhombohedral, symmetry described by the R -3 m space group. The strong spin-orbit coupling of the uranium ions plays an essential role in lowering the symmetry, giving rise to two different U sites (U1 and U2). Using polarized neutron diffraction in applied magnetic fields of 1 and 9 T in the ordered state (1.9 K ) and in the paramagnetic state (20 K ), we bring convincing experimental evidence of this splitting of the U sites, with different magnetic moments. The data have been analyzed both by maximum entropy calculations and by a direct fit in the dipolar approximation. In the ordered phase, the μL/μS ratio of the orbital and spin moments on the U2 site is remarkably lower than for the free U3 + or U4 + ion, which points to a strong hybridization of the U 5 f wave functions with the 4 d wave functions of the surrounding Ru. On the U1 site, the μL/μS ratio exhibits an unexpectedly low value: the orbital moment is almost quenched, like in metallic α -uranium. As a further evidence of the 5 f -4 d hybridization in the U4Ru7Ge6 system, we observe the absence of a magnetic moment on the Ru1 site, but a rather large induced moment on the Ru2 site, which is in closer coordination with both U positions. Very similar results are obtained at 20 K in the ferromagnetic regime induced by the magnetic field of 9 T . This shows that applying a strong magnetic field above the Curie temperature also leads to the splitting of the uranium sites, which further demonstrates the intimate coupling of the magnetic ordering and structural distortion. We propose that the difference between the magnetic moment on the U1 and U2 sites results from the strong spin-orbit interaction with different local point symmetries.

ATOTA-a very promising green fluorophore

NASA Astrophysics Data System (ADS)

Doan, Hung The

Despite the fact that fluorescence community nowadays has invested in developing near-infrared probes, green fluorescence dyes like fluorescein and substitutes are still among the most widely used fluorophores for labeling in cellular imaging and biomedical research. Trioxatriangulenium dye ATOTA + is a very promising green fluorophore with high extinction coefficient and outstanding fluorescence quantum yield. This study focuses on characterizing ATOTA+'s fundamental spectroscopic properties, including fluorescence and orientation of the transition moments. ATOTA's aggregation in aqueous solution and lipid bilayer membrane are also investigated. ATOTA+ has absorption maxima between 470 nm and 476 nm and emission maxima between 496 nm and 511 nm depending on the solvent. The molar extinction coefficient varies from 135,000 mol-1cm-1 in nonpolar dichloromethane to above 90,000 mol-1cm-1 in polar solvents such as methanol. The quantum yield of ATOTA+ is close to 1 in nonpolar DCM and decreases to 0.44 in polar DMF. ATOTA+'s fluorescence lifetimes vary between 3.25 ns in aprotic low polarity triacetin to 1.66 ns in polar DMF. Furthermore, both radiative and non-radiative rates are affected by solvent polarity. ATOTA+ has very low water solubility due to the presence of 6 diethyl substitutions, and forms H-aggregates with a blue-shifted absorption maxima around 450 nm and red-shifted emission maxima of 580 nm respectively with fluorescence lifetime above 20 ns. The excitation anisotropy approaches 0.35 at red edge of the absorption spectrum and shape of polarization spectrum suggests the presence of overlapping transition moments in a S0-S1 band which is confirmed by linear dichroism in stretched PVA film. In DMPC lipid vesicles, ATOTA + forms a tight ion pair with a counter anion and localizes in the hydrocarbon interior. Overall we conclude that ATOTA+ will be a highly useful and superior member of the green fluorophore family.

Electronic structure and properties of magnetic defects in Co(1+x)Al(1-x) and Fe(1+x)Al(1-x) alloys. Ph.D. Thesis - Paris Univ.

NASA Technical Reports Server (NTRS)

Abbe, D.

1984-01-01

CoAl and FeAl compounds are developed along two directions. Magnetic susceptibility and specific heat at low temperature on (NiCo)Al and (CoFe)Al ternary alloys are in good agreement with band calculations. Results on magnetization and specific heat under field at low temperature on nonstoichiometric compounds show clearly the importance of the nearest neighbor effects. In the case of CoAl, the isolated cobalt atoms substituting aluminum are characterized by a Kondo behavior, and, for FeAl, the isolated extra iron atoms are magnetic and polarize the matrix. Moreover, for the two compounds, clusters of higher order play a considerable part in the magnetic properties for CoAl, these clusters also seem to be characterized by a Kondo behavior, for FeAl, these clusters whose moment is higher than in the case of isolated atoms, could be constituted of excess parts of iron atoms.

Apparent Explosion Moments from Rg Waves Recorded on SPE: Implications for the Late-Time Damage Source Model

NASA Astrophysics Data System (ADS)

Patton, H. J.; Larmat, C. S.; Rougier, E.

2016-12-01

Seismic moments for chemical shots making up Phase I of the Source Physics Experiments (SPE) are estimated from 6 Hz Rg waves under the assumption that the shots are pure explosions. These apparent explosion moments are compared to moments determined using the Reduced Displacement Potential (RDP) method applied to free field data. LIDAR/photogrammetry observations, strong ground motions on the free surface near ground zero, and moment tensor inversion results are evidence in support of the fourth shot SPE-4P being essentially a pure explosion. The apparent moment for SPE-4P is 9 × 1010 Nm in good agreement with the RDP moment 8 × 1010 Nm. In stark contrast, apparent moments for the first three shots are three to four times smaller than RDP moments. Data show that spallation occurred on these shots, as well as permanent deformations detected with ground-based LIDAR. As such, the source medium suffered late-time damage. The late-time damage source model predicts destructive interference between Rg waves radiated by explosion and damage sources, which reduces amplitudes and explains why apparent moments are smaller than RDP moments based on compressional energy emitted directly from the source. SPE-5 was conducted at roughly the same yield-scaled burial depth as SPE-2 and -3, but with five times the yield. As such, the damage source model predicts less reduction of apparent moment. At this writing, preliminary results from Rg interferometry and RDP moments confirm this prediction. SPE-6 is scheduled for the fall of 2016, and it should have the strongest damage source of all SPE shots. The damage model predicts that the polarity of Rg waves could be reversed. Realization of this prediction will be strong confirmation of the late-time damage source model. This abstract has a Los Alamos National Laboratory Unlimited Release Number LA-UR-16-25709.

Investigations of the electronic and magnetic properties of newly (001) surface LiCrS and LiCrSe half-Heusler compounds

NASA Astrophysics Data System (ADS)

Hussain, Moaid K.

2018-04-01

We analyzed the electronic and magnetic properties of newly (001) surface LiCrS and LiCrSe half-Heusler compounds with the C1b structure, based on calculations of the first principles. We examine the influences of (001) surface and correlation interactions on the structural properties and electricity and magnetism of the bulk and surface (001) LiCrS and LiCrSe half-Heusler compounds with two ideal terminations named Cr-S and li-li and Cr-Se and li-term terminated (001) surfaces, respectively. We noticed that the half-metallicity assured in the bulk is kept at the Cr-S and Cr-Se terminations, with a total spin polarization equal to 100%, with a wide range in the energy gap, and the magnetic moments calculated for both terminations were found to be equal to 29 µB/f.u., which have a great scientifics in varied application. For the li-li and li-term terminations, we noticed that the half-metallicity is destroy with a total spin polarization equal to 84 and 67%, respectively, with a magnetic moment of 25.5 µB/f.u. The calculated magnetic moment of all terminations was found of all the subsurface is close to that of the bulk system and this makes these compounds of maximum benefit in the pilot applications of spintronic systems.

The curious case of Mercury's internal structure

NASA Astrophysics Data System (ADS)

Hauck, Steven A.; Margot, Jean-Luc; Solomon, Sean C.; Phillips, Roger J.; Johnson, Catherine L.; Lemoine, Frank G.; Mazarico, Erwan; McCoy, Timothy J.; Padovan, Sebastiano; Peale, Stanton J.; Perry, Mark E.; Smith, David E.; Zuber, Maria T.

2013-06-01

The recent determination of the gravity field of Mercury and new Earth-based radar observations of the planet's spin state afford the opportunity to explore Mercury's internal structure. These observations provide estimates of two measures of the radial mass distribution of Mercury: the normalized polar moment of inertia and the fractional polar moment of inertia of the solid portion of the planet overlying the liquid core. Employing Monte Carlo techniques, we calculate several million models of the radial density structure of Mercury consistent with its radius and bulk density and constrained by these moment of inertia parameters. We estimate that the top of the liquid core is at a radius of 2020 ± 30 km, the mean density above this boundary is 3380 ± 200 kg m-3, and the density below the boundary is 6980 ± 280 kg m-3. We find that these internal structure parameters are robust across a broad range of compositional models for the core and planet as a whole. Geochemical observations of Mercury's surface by MESSENGER indicate a chemically reducing environment that would favor the partitioning of silicon or both silicon and sulfur into the metallic core during core-mantle differentiation. For a core composed of Fe-S-Si materials, the thermodynamic properties at elevated pressures and temperatures suggest that an FeS-rich layer could form at the top of the core and that a portion of it may be presently solid.

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

Anisotropic physical properties of single-crystal U2Rh2Sn in high magnetic fields

NASA Astrophysics Data System (ADS)

Prokeš, K.; Gorbunov, D. I.; Reehuis, M.; Klemke, B.; Gukasov, A.; Uhlířová, K.; Fabrèges, X.; Skourski, Y.; Yokaichiya, F.; Hartwig, S.; Andreev, A. V.

2017-05-01

We report on the crystal and magnetic structures, magnetic, transport, and thermal properties of U2Rh2Sn single crystals studied in part in high magnetic fields up to 58 T. The material adopts a U3Si2 -related tetragonal crystal structure and orders antiferromagnetically below TN=25 K. The antiferromagnetic structure is characterized by a propagation vector k =(00 1/2 ) . The magnetism in U2Rh2Sn is found to be associated mainly with 5 f states. However, both unpolarized and polarized neutron experiments reveal at low temperatures in zero field non-negligible magnetic moments also on Rh sites. U moments of 0.50(2) μB are directed along the tetragonal axis while Rh moments of 0.06(4) μB form a noncollinear arrangement confined to the basal plane. The response to applied magnetic field is highly anisotropic. Above ˜15 K the easy magnetization direction is along the tetragonal axis. At lower temperatures, however, a stronger response is found perpendicular to the c axis. While for the a axis no magnetic phase transition is observed up to 58 T, for the field applied at 1.8 K along the tetragonal axis we observe above 22.5 T a field-polarized state. A magnetic phase diagram for the field applied along the c axis is presented.

Space shuttle (ATP configuration) abort staging investigation

NASA Technical Reports Server (NTRS)

Rampy, J. M.; Blackwell, K. L.; Allen, E. C., Jr.; Fossler, I.

1973-01-01

A wind tunnel test conducted in a 14-inch trisonic wind tunnel to determine the force and moment characteristics of the ATP Orbiter and modified ATP External Tank/SRB combination during abort staging conditions is discussed. Six component aerodynamic force and moment data were recorded for the orbiter and ET/SRB combination. Pitch polars were obtained for an angle of attack range from minus 10 to plus 10 degrees and orbiter incidence angles (orbiter relative to the ET/SRB combination) of 0 and 2 degrees. A limited amount of yaw data were obtained at 0 degree angle of attack and beta range from minus 10 to plus 10 degrees. In addition, orbiter pitch control effectiveness was determined at several grid points. These force and moment data were obtained for Mach numbers of 0.9, 1.2 and 2.0.

Half-metallic ferromagnetism in substitutionally doped boronitrene

NASA Astrophysics Data System (ADS)

Ukpong, A. M.; Chetty, N.

2012-11-01

We perform first-principles molecular dynamics simulations to investigate the magnetoelectronic response of substitutionally doped boronitrene to thermal excitation. We show that the local geometry, size, and edge termination of the substitutional complexes of boron, carbon, or nitrogen determine the thermodynamic stability of the monolayer. We find that hexagonal boron or triangular carbon clusters induce finite magnetic moments with 100% spin-polarized Fermi-level electrons in boronitrene. In such carbon substitutions, the spontaneous magnetic moment increases with the size of the embedded carbon cluster, and results in half-metallic ferrimagnetism above 750 K with a corresponding Curie point of 1250 K, above which the magnetization density vanishes. We predict an ultrahigh temperature half-metallic ferromagnetic phase in impurity-free boronitrene, when any three nearest-neighbor nitrogen atoms are substituted with boron, with unquenched magnetic moment up to its melting point.

Magnetic properties of low-moment ferrimagnetic Heusler Cr2CoGa thin films grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Jamer, Michelle E.; Sterbinsky, George E.; Stephen, Gregory M.; DeCapua, Matthew C.; Player, Gabriel; Heiman, Don

2016-10-01

Recently, theorists have predicted many materials with a low magnetic moment and large spin-polarization for spintronic applications. These compounds are predicted to form in the inverse Heusler structure; however, many of these compounds have been found to phase segregate. In this study, ordered Cr2CoGa thin films were synthesized without phase segregation using molecular beam epitaxy. The present as-grown films exhibit a low magnetic moment from antiferromagnetically coupled Cr and Co atoms as measured with superconducting quantum interface device magnetometry and soft X-ray magnetic circular dichroism. Electrical measurements demonstrated a thermally-activated semiconductor-like resistivity component with an activation energy of 87 meV. These results confirm spin gapless semiconducting behavior, which makes these thin films well positioned for future devices.

Magnetic properties of low-moment ferrimagnetic Heusler Cr 2CoGa thin films grown by molecular beam epitaxy

DOE PAGES

Jamer, Michelle E.; Sterbinsky, George E.; Stephen, Gregory M.; ...

2016-10-31

Recently, theorists have predicted many materials with a low magnetic moment and large spin-polarization for spintronic applications. These compounds are predicted to form in the inverse Heusler structure; however, many of these compounds have been found to phase segregate. In this study, ordered Cr 2CoGa thin films were synthesized without phase segregation using molecular beam epitaxy. The present as-grown films exhibit a low magnetic moment from antiferromagnetically coupled Cr and Co atoms as measured with superconducting quantum interface device magnetometry and soft X-ray magnetic circular dichroism. Electrical measurements demonstrated a thermally-activated semiconductor-like resistivity component with an activation energy of 87more » meV. Finally, these results confirm spin gapless semiconducting behavior, which makes these thin films well positioned for future devices.« less

Feasibility of maintaining in-plane polarization for a storage ring EDM search

NASA Astrophysics Data System (ADS)

Stephenson, Edward; Storage Ring EDM Collaboration

2014-09-01

A search for an electric dipole moment (EDM) on charged particles using a storage ring requires beam polarization lifetimes approaching 1000 s for in-plane polarization. A feasibility study using beam bunching and sextupole field adjustment is underway with a 0.97-GeV/c vector-polarized deuteron beam at COSY. The polarimeter consists of a thick carbon target positioned at the edge of the beam and the EDDA scintillation detectors. The DAQ system assigns a clock time to each polarimeter event. Once calibrated against the RF-cavity, the clock time is used to select events associated with a maximal sideways polarization (precessing at 120 kHz). With this tool, the in-plane polarization magnitude is tracked versus time. Electron cooling reduces the depolarization from finite emittance and second-order momentum spread acting through synchrotron oscillations. Further lifetime improvement to the level of hundreds of seconds is achieved by adjusting sextupole fields located in the COSY ring arcs at places of large transverse beta functions and dispersion. The dependence of the reciprocal of the lifetime on sextupole field strength is nearly linear, permitting an easy location of the best field values. These typically occur near loci of zero chromaticity. A search for an electric dipole moment (EDM) on charged particles using a storage ring requires beam polarization lifetimes approaching 1000 s for in-plane polarization. A feasibility study using beam bunching and sextupole field adjustment is underway with a 0.97-GeV/c vector-polarized deuteron beam at COSY. The polarimeter consists of a thick carbon target positioned at the edge of the beam and the EDDA scintillation detectors. The DAQ system assigns a clock time to each polarimeter event. Once calibrated against the RF-cavity, the clock time is used to select events associated with a maximal sideways polarization (precessing at 120 kHz). With this tool, the in-plane polarization magnitude is tracked versus time. Electron cooling reduces the depolarization from finite emittance and second-order momentum spread acting through synchrotron oscillations. Further lifetime improvement to the level of hundreds of seconds is achieved by adjusting sextupole fields located in the COSY ring arcs at places of large transverse beta functions and dispersion. The dependence of the reciprocal of the lifetime on sextupole field strength is nearly linear, permitting an easy location of the best field values. These typically occur near loci of zero chromaticity. Supported in part by the Forschungszentrum-Juelich and the European Union.

The sign of the polarizability anisotropy of polar molecules is obtained from the terahertz Kerr effect

NASA Astrophysics Data System (ADS)

Kampfrath, Tobias; Wolf, Martin; Sajadi, Mohsen

2018-01-01

The terahertz Kerr effect (TKE) of polar molecular vapors is reported. The birefringence signal of fluoroform appears with opposite polarity compared to acetonitrile and water. This behavior is a hallmark of the opposite sign of a new molecular polarizability anisotropy ΔαTKE =αzz - (αxx +αyy) / 2 , with αzz being the polarizability along the permanent dipole moment. As the excitation of the rotational states orients the permanent dipoles along the terahertz electric field, the orientation is translated into an optical birefringence proportional to ΔαTKE . Thus, the sign of ΔαTKE is imprinted onto the TKE signal, providing novel insights into the polarizability tensor of water.

Antioxidant behavior of mearnsetin and myricetin flavonoid compounds — A DFT study

NASA Astrophysics Data System (ADS)

Sadasivam, K.; Kumaresan, R.

2011-06-01

The molecular characteristics of two naturally occurring flavonoid compounds mearnsetin and myricetin have been computed using density functional theory (DFT) approach with B3LYP/6-311G(d,p) level of theory. The computation and analysis of bond dissociation enthalpy magnitudes for all the OH sites for both the compounds clearly denotes the contribution of the B-ring for the antioxidant activity. The analysis has also indicated the higher values of BDE on the C5-OH radical species in both the compounds. The computed vibrational frequency analysis indicates the absence of imaginary frequency in the neutral as well as radical species of both the flavonoid compounds. The ionisation potential (IP) analysis was found to be within the range of the IP of synthetic food additives. In addition, various molecular descriptors such as electron affinity, hardness, softness, electronegativity, electrophilic index have also been calculated and the validity of Koopman's theorem is verified. The plot of frontier molecular orbital and spin density distribution analysis for neutral and the corresponding radical species for both the compounds have been computed and interpreted. The polar nature and their polarizing capacity are well established through the analysis of dipole moment and polarisability magnitudes.

Role of defects in BiFeO₃ multiferroic films and their local electronic structure by x-ray absorption spectroscopy

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

Ravalia, Ashish; Vagadia, Megha; Solanki, P. S.

2014-10-21

Present study reports the role of defects in the electrical transport in BiFeO₃ (BFO) multiferroic films and its local electronic structure investigated by near-edge X-ray absorption fine structure. Defects created by high energy 200 MeV Ag⁺¹⁵ ion irradiation with a fluence of ∼5 × 10¹¹ ions/cm² results in the increase in structural strain and reduction in the mobility of charge carriers and enhancement in resistive (I-V) and polarization (P-E) switching behaviour. At higher fluence of ∼5 × 10¹² ions/cm², there is a release in the structural strain due to local annealing effect, resulting in an increase in the mobility of charge carriers, which are releasedmore » from oxygen vacancies and hence suppression in resistive and polarization switching. Near-edge X-ray absorption fine structure studies at Fe L₃,₂- and O K-edges show a significant change in the spectral features suggesting the modifications in the local electronic structure responsible for changes in the intrinsic magnetic moment and electrical transport properties of BFO.« less

Comparative studies on the room-temperature ferrielectric and ferrimagnetic Ni3TeO6-type A2FeMoO6 compounds (A = Sc, Lu)

PubMed Central

Song, Guang; Zhang, Weiyi

2016-01-01

First-principles calculations have been carried out to study the structural, electric, and magnetic properties of Ni3TeO6-type A2FeMoO6 compounds (A = Sc, Lu). Their electric and magnetic properties behave like room-temperature ferrielectric and ferrimagnetic insulators where polarization comes from the un-cancelled antiparallel dipoles of (A(1), Fe3+) and (A(2), Mo3+) ion groups, and magnetization from un-cancelled antiparallel moments of Fe3+ and Mo3+ ions. The net polarization increases with A’s ionic radius and is 7.1 and 8.7 μCcm−2 for Sc2FeMoO6 and Lu2FeMoO6, respectively. The net magnetic moment is 2 μB per formula unit. The magnetic transition temperature is estimated well above room-temperature due to the strong antiferromagnetic superexchange coupling among Fe3+ and Mo3+ spins. The estimated paraelectric to ferrielectric transition temperature is also well above room-temperature. Moreover, strong magnetoelectric coupling is also anticipated because the magnetic ions are involved both in polarization and magnetization. The fully relaxed Ni3TeO6-type A2FeMoO6 structures are free from soft-phonon modes and correspond to stable structures. As a result, Ni3TeO6-type A2FeMoO6 compounds are possible candidates for room-temperature multiferroics with large magnetization and polarization. PMID:26831406

Simulation of Titan's atmospheric photochemistry. Formation of non-volatile residue from polar nitrile ices

NASA Astrophysics Data System (ADS)

Couturier-Tamburelli, Isabelle; Piétri, Nathalie; Gudipati, Murthy S.

2015-06-01

We studied the photochemistry of frozen ice of a polar Titan's atmospheric molecule cyanodiacetylene (HC5N) to determine the possible contribution of this compound to the lower altitude photochemistry of haze layers found on Titan. We used infrared analysis to examine the residue produced by irradiation of solid HC5N at λ > 300 nm. The resulting polymer is orange-brown in color. Based on theoretical analysis and the general tendency of HC5N and C4N2 to undergo similar ice photochemistry at longer wavelengths accessible in Titan's lower atmosphere, we conclude that Titan's lower atmosphere is photochemically active in the regions of cloud, ice, and aerosol formation. C4N2is a symmetric molecule with no net dipole moment whereas, HC5N has a large dipole moment of ~4 D. Consequently, though both these molecules have very similar molecular weight and size, their sublimation temperatures are different, HC5N subliming around 170 K compared to 160 K for C4N2. Based on our studies we conclude that in Titan's atmosphere the cyanoacetylene class of molecules (HCN, HC3N, HC5N, etc.) would condense first followed by the dicyanoacetylenes (C2N2, C4N2, C6N2, etc.), leading to fractionation of different class of molecules. From the fluxes used in the laboratory and depletion of the original HC5N signals, we estimate Titan's haze ice photochemistry involving polar nitriles to be significant and very similar to their non-polar counterparts.

Design and performance of the spin asymmetries of the nucleon experiment

DOE PAGES

Maxwell, J. D.; Armstrong, W. R.; Choi, S.; ...

2018-03-01

The Spin Asymmetries of the Nucleon Experiment (SANE) performed inclusive, double-polarized electron scattering measurements of the proton at the Continuous Electron Beam Facility at Jefferson Lab. A novel detector array observed scattered electrons of four-momentum transfer 2.5 < Q 2 < 6.5 GeV 2 and Bjorken scaling 0.3 < x < 0.8 from initial beam energies of 4.7 and 5.9 GeV. Employing a polarized proton target which could be rotated with respect to the incident electron beam, both parallel and near perpendicular spin asymmetries were measured, allowing model-independent access to transverse polarization observables A 1, A 2, g 1, gmore » 2 and moment d 2 of the proton. This article summarizes the operation and performance of the polarized target, polarized electron beam, and novel detector systems used during the course of the experiment, and describes analysis techniques utilized to access the physics observables of interest.« less

Phase measurement for driven spin oscillations in a storage ring

NASA Astrophysics Data System (ADS)

Hempelmann, N.; Hejny, V.; Pretz, J.; Soltner, H.; Augustyniak, W.; Bagdasarian, Z.; Bai, M.; Barion, L.; Berz, M.; Chekmenev, S.; Ciullo, G.; Dymov, S.; Eversmann, D.; Gaisser, M.; Gebel, R.; Grigoryev, K.; Grzonka, D.; Guidoboni, G.; Heberling, D.; Hetzel, J.; Hinder, F.; Kacharava, A.; Kamerdzhiev, V.; Keshelashvili, I.; Koop, I.; Kulikov, A.; Lehrach, A.; Lenisa, P.; Lomidze, N.; Lorentz, B.; Maanen, P.; Macharashvili, G.; Magiera, A.; Mchedlishvili, D.; Mey, S.; Müller, F.; Nass, A.; Nikolaev, N. N.; Nioradze, M.; Pesce, A.; Prasuhn, D.; Rathmann, F.; Rosenthal, M.; Saleev, A.; Schmidt, V.; Semertzidis, Y.; Senichev, Y.; Shmakova, V.; Silenko, A.; Slim, J.; Stahl, A.; Stassen, R.; Stephenson, E.; Stockhorst, H.; Ströher, H.; Tabidze, M.; Tagliente, G.; Talman, R.; Thörngren Engblom, P.; Trinkel, F.; Uzikov, Yu.; Valdau, Yu.; Valetov, E.; Vassiliev, A.; Weidemann, C.; Wrońska, A.; Wüstner, P.; Zuprański, P.; Żurek, M.; JEDI Collaboration

2018-04-01

This paper reports the first simultaneous measurement of the horizontal and vertical components of the polarization vector in a storage ring under the influence of a radio frequency (rf) solenoid. The experiments were performed at the Cooler Synchrotron COSY in Jülich using a vector polarized, bunched 0.97 GeV /c deuteron beam. Using the new spin feedback system, we set the initial phase difference between the solenoid field and the precession of the polarization vector to a predefined value. The feedback system was then switched off, allowing the phase difference to change over time, and the solenoid was switched on to rotate the polarization vector. We observed an oscillation of the vertical polarization component and the phase difference. The oscillations can be described using an analytical model. The results of this experiment also apply to other rf devices with horizontal magnetic fields, such as Wien filters. The precise manipulation of particle spins in storage rings is a prerequisite for measuring the electric dipole moment (EDM) of charged particles.

Solvent dependent photophysical properties of dimethoxy curcumin

NASA Astrophysics Data System (ADS)

Barik, Atanu; Indira Priyadarsini, K.

2013-03-01

Dimethoxy curcumin (DMC) is a methylated derivative of curcumin. In order to know the effect of ring substitution on photophysical properties of curcumin, steady state absorption and fluorescence spectra of DMC were recorded in organic solvents with different polarity and compared with those of curcumin. The absorption and fluorescence spectra of DMC, like curcumin, are strongly dependent on solvent polarity and the maxima of DMC showed red shift with increase in solvent polarity function (Δf), but the above effect is prominently observed in case of fluorescence maxima. From the dependence of Stokes' shift on solvent polarity function the difference between the excited state and ground state dipole moment was estimated as 4.9 D. Fluorescence quantum yield (ϕf) and fluorescence lifetime (τf) of DMC were also measured in different solvents at room temperature. The results indicated that with increasing solvent polarity, ϕf increased linearly, which has been accounted for the decrease in non-radiative rate by intersystem crossing (ISC) processes.

Radiation characteristics and polarisation of undulated microstrip line antennas

NASA Astrophysics Data System (ADS)

Shafai, L.; Sebak, A. A.

1985-12-01

A numerical method is used to investigate the radiation from undulated microstrip line antennas. The undulated line is assumed to be suspended over a ground plane and its current distribution is determined using a moment method type solution. This current distribution is then used to compute the co-polar and cross-polar radiation fields. It is found that the current distribution has an oscillating behavior along the line, with a frequency which is twice the number of undulations. The cross-polarization is found to be high and relatively independent of the undulating shape. Its relative level, however, is reduced for large arrays, due to the array factor affecting the co-polar field. A procedure for the reduction or elimination of the cross-polarization is then proposed, which is based on utilizing two undulated lines with mutually inverted undulations. A design method for achieving low sidelobe levels is also proposed and a design example with sidelobes around the -40 dB range is presented.

Design and performance of the spin asymmetries of the nucleon experiment

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

Maxwell, J. D.; Armstrong, W. R.; Choi, S.

The Spin Asymmetries of the Nucleon Experiment (SANE) performed inclusive, double-polarized electron scattering measurements of the proton at the Continuous Electron Beam Facility at Jefferson Lab. A novel detector array observed scattered electrons of four-momentum transfer 2.5 < Q 2 < 6.5 GeV 2 and Bjorken scaling 0.3 < x < 0.8 from initial beam energies of 4.7 and 5.9 GeV. Employing a polarized proton target which could be rotated with respect to the incident electron beam, both parallel and near perpendicular spin asymmetries were measured, allowing model-independent access to transverse polarization observables A 1, A 2, g 1, gmore » 2 and moment d 2 of the proton. This article summarizes the operation and performance of the polarized target, polarized electron beam, and novel detector systems used during the course of the experiment, and describes analysis techniques utilized to access the physics observables of interest.« less

Ion Outflow and Convection in the Polar Cap and Cleft as Measured by Tide, EFI, MFE and Timas

NASA Technical Reports Server (NTRS)

Elliott, H. A.; Craven, P. D.; Chandler, M. O.; Moore, T. E.; Maynard, N. C.; Peterson, W. K.; Lennartsson, O. W.; Shelley, E. G.; Mozer, F. S.; Russell, C. T.

1997-01-01

This study examines high-latitude ion outflows and velocities perpendicular to the magnetic field derived from moments of ion distributions measured by the TIDE (Thermal Ion Dynamics Experiment) instrument on the Polar satellite. Hydrogen and oxygen ions are shown to be E X B drifting in the polar cap and cleft regions with a speed of about 5-20 km/s at apogee (approximately 9 Re) and a speed of 1-2 km/s at perigee (approximately 1. 8 Re). E X B drifts are calculated from electric fields measured by EFI (Electric Field Instrument) and magnetic fields measured by MFE (Magnetic Field Experiment) both of which are also on Polar. How convection at Polar's perigee relates to potential patterns of the ionosphere will be discussed. In the cusp/cleft the distribution of hydrogen extends over a large enough range of energy to be measured by both TIDE and the Toroidal Imaging Mass-Angle Spectrograph (TIMAS). Such comparisons will be also be presented.

Flight Investigation of Effects of Transition, Landing Approaches, Partial-Power Vertical Descents, and Droop-Stop Pounding on the Bending and Torsional Moments Encountered by a Helicopter Rotor Blade

NASA Technical Reports Server (NTRS)

Ludi, LeRoy H.

1959-01-01

Flight tests have been conducted with a single-rotor helicopter, one blade of which was equipped at 14 percent and 40 percent of the blade radius with strain gages calibrated to measure moments rather than stresses, to determine the effects of transition, landing approaches, and partial-power vertical descents on the rotor-blade bending and torsional moments. In addition, ground tests were conducted to determine the effects of static droop-stop pounding on the rotor-blade moments. The results indicate that partial-power vertical descents and landing approaches produce rotor-blade moments that are higher than the moments encountered in any other flight condition investigated to date with this equipment. Decelerating through the transition region in level flight was found to result in higher vibratory moments than accelerating through this region. Deliberately induced static droop-stop pounding produced flapwise bending moments at the 14-percent-radius station which were as high as the moments experienced in landing approaches and partial-power vertical descents.

In vivo measured joint friction in hip implants during walking after a short rest.

PubMed

Damm, Philipp; Bender, Alwina; Duda, Georg; Bergmann, Georg

2017-01-01

It has been suspected that friction in hip implants is higher when walking is initiated after a resting period than during continuous movement. It cannot be excluded that such increased initial moments endanger the cup fixation in the acetabulum, overstress the taper connections in the implant or increase wear. To assess these risks, the contact forces, friction moments and friction coefficients in the joint were measured in vivo in ten subjects. Instrumented hip joint implants with telemetric data transmission were used to access the contact loads between the cup and head during the first steps of walking after a short rest. The analysis demonstrated that the contact force is not increased during the first step. The friction moment in the joint, however, is much higher during the first step than during continuous walking. The moment increases throughout the gait cycle were 32% to 143% on average and up to 621% individually. The high initial moments will probably not increase wear by much in the joint. However, comparisons with literature data on the fixation resistance of the cup against moments made clear that the stability can be endangered. This risk is highest during the first postoperative months for cementless cups with insufficient under-reaming. The high moments after a break can also put taper connections between the head and neck and neck and shaft at a higher risk. During continuous walking, the friction moments individually were extremely varied by factors of 4 to 10. Much of this difference is presumably caused by the varying lubrication properties of the synovia. These large moment variations can possibly lead to friction-induced temperature increases during walking, which are higher than the 43.1°C which have previously been observed in a group of only five subjects.

Influence of intrinsic decoherence on tripartite entanglement and bipartite fidelity of polar molecules in pendular states

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

Han, Jia-Xing; Hu, Yuan; Jin, Yu

An array of ultracold polar molecules trapped in an external electric field is regarded as a promising carrier of quantum information. Under the action of this field, molecules are compelled to undergo pendular oscillations by the Stark effect. Particular attention has been paid to the influence of intrinsic decoherence on the model of linear polar molecular pendular states, thereby we evaluate the tripartite entanglement with negativity, as well as fidelity of bipartite quantum systems for input and output signals using electric dipole moments of polar molecules as qubits. According to this study, we consider three typical initial states for bothmore » systems, respectively, and investigate the temporal evolution with variable values of the external field intensity, the intrinsic decoherence factor, and the dipole-dipole interaction. Thus, we demonstrate the sound selection of these three main parameters to obtain the best entanglement degree and fidelity.« less

Polarized IR-microscope spectra of guanidinium hydrogenselenate single crystal.

PubMed

Drozd, M; Baran, J

2005-10-01

The polarized IR-microscope spectra of C(NH2)3.HSeO4 small single crystal samples were measured at room temperature. The spectra are discussed with the framework of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the O...O distance of 2.616 A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polarizer angle are described. Detailed assignment for bands derived from stretching and bending modes of selenate anions and guanidinium cations were performed. The observed intensities of these bands in polarized infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.

Influence of intrinsic decoherence on tripartite entanglement and bipartite fidelity of polar molecules in pendular states.

PubMed

Han, Jia-Xing; Hu, Yuan; Jin, Yu; Zhang, Guo-Feng

2016-04-07

An array of ultracold polar molecules trapped in an external electric field is regarded as a promising carrier of quantum information. Under the action of this field, molecules are compelled to undergo pendular oscillations by the Stark effect. Particular attention has been paid to the influence of intrinsic decoherence on the model of linear polar molecular pendular states, thereby we evaluate the tripartite entanglement with negativity, as well as fidelity of bipartite quantum systems for input and output signals using electric dipole moments of polar molecules as qubits. According to this study, we consider three typical initial states for both systems, respectively, and investigate the temporal evolution with variable values of the external field intensity, the intrinsic decoherence factor, and the dipole-dipole interaction. Thus, we demonstrate the sound selection of these three main parameters to obtain the best entanglement degree and fidelity.

Correcting systematic errors in high-sensitivity deuteron polarization measurements

NASA Astrophysics Data System (ADS)

Brantjes, N. P. M.; Dzordzhadze, V.; Gebel, R.; Gonnella, F.; Gray, F. E.; van der Hoek, D. J.; Imig, A.; Kruithof, W. L.; Lazarus, D. M.; Lehrach, A.; Lorentz, B.; Messi, R.; Moricciani, D.; Morse, W. M.; Noid, G. A.; Onderwater, C. J. G.; Özben, C. S.; Prasuhn, D.; Levi Sandri, P.; Semertzidis, Y. K.; da Silva e Silva, M.; Stephenson, E. J.; Stockhorst, H.; Venanzoni, G.; Versolato, O. O.

2012-02-01

This paper reports deuteron vector and tensor beam polarization measurements taken to investigate the systematic variations due to geometric beam misalignments and high data rates. The experiments used the In-Beam Polarimeter at the KVI-Groningen and the EDDA detector at the Cooler Synchrotron COSY at Jülich. By measuring with very high statistical precision, the contributions that are second-order in the systematic errors become apparent. By calibrating the sensitivity of the polarimeter to such errors, it becomes possible to obtain information from the raw count rate values on the size of the errors and to use this information to correct the polarization measurements. During the experiment, it was possible to demonstrate that corrections were satisfactory at the level of 10 -5 for deliberately large errors. This may facilitate the real time observation of vector polarization changes smaller than 10 -6 in a search for an electric dipole moment using a storage ring.

A Detector for Cosmic Microwave Background Polarimetry

NASA Technical Reports Server (NTRS)

Wollack, E.; Cao, N.; Chuss, D.; Hsieh, W.-T.; Moseley, S. Harvey; Stevenson, T.; U-yen, K.

2008-01-01

We present preliminary design and development work on polarized detectors intended to enable Cosmic Microwave Background polarization measurements that will probe the first moments of the universe. The ultimate measurement will be challenging, requiring background-limited detectors and good control of systematic errors. Toward this end, we are integrating the beam control of HE-11 feedhorns with the sensitivity of transition-edge sensors. The coupling between these two devices is achieved via waveguide probe antennas and superconducting microstrip lines. This implementation allows band-pass filters to be incorporated on the detector chip. We believe that a large collection of single-mode polarized detectors will eventually be required for the reliable detection of the weak polarized signature that is expected to result from gravitational waves produced by cosmic inflation. This focal plane prototype is an important step along the path to this detection, resulting in a capability that will enable various future high performance instrument concepts.

Time-of-Flight Polarized Neutron Reflectometry on PLATYPUS: Status and Future Developments

NASA Astrophysics Data System (ADS)

Saerbeck, T.; Cortie, D. L.; Brück, S.; Bertinshaw, J.; Holt, S. A.; Nelson, A.; James, M.; Lee, W. T.; Klose, F.

Time-of-flight (ToF) polarized neutron reflectometry enables the detailed investigation of depth-resolved magnetic structures in thin film and multilayer magnetic systems. The general advantage of the time-of-flight mode of operation over monochromatic instruments is a decoupling of spectral shape and polarization of the neutron beam with variable resolution. Thus, a wide Q-range can be investigated using a single angle of incidence, with resolution and flux well-adjusted to the experimental requirement. Our paper reviews the current status of the polarization equipment of the ToF reflectometer PLATYPUS and presents first results obtained on stratified Ni80Fe20/α-Fe2O3 films, revealing the distribution of magnetic moments in an exchange bias system. An outlook on the future development of the PLATYPUS polarization system towards the implementation of a polarized 3He cell is presented and discussed with respect to the efficiency and high Q-coverage up to 1 Å-1 and 0.15 Å-1 in the vertical and lateral momentum transfer, respectively.

Geant4 Developments for the Radon Electric Dipole Moment Search at TRIUMF

NASA Astrophysics Data System (ADS)

Rand, E. T.; Bangay, J. C.; Bianco, L.; Dunlop, R.; Finlay, P.; Garrett, P. E.; Leach, K. G.; Phillips, A. A.; Sumithrarachchi, C. S.; Svensson, C. E.; Wong, J.

2011-09-01

An experiment is being developed at TRIUMF to search for a time-reversal violating electric dipole moment (EDM) in odd-A isotopes of Rn. Extensive simulations of the experiment are being performed with GEANT4 to study the backgrounds and sensitivity of the proposed measurement technique involving the detection of γ rays emitted following the β decay of polarized Rn nuclei. GEANT4 developments for the RnEDM experiment include both realistic modelling of the detector geometry and full tracking of the radioactive β, γ, internal conversion, and x-ray processes, including the γ-ray angular distributions essential for measuring an atomic EDM.

Strong-Isospin-Breaking Correction to the Muon Anomalous Magnetic Moment from Lattice QCD at the Physical Point

NASA Astrophysics Data System (ADS)

Chakraborty, B.; Davies, C. T. H.; Detar, C.; El-Khadra, A. X.; Gámiz, E.; Gottlieb, Steven; Hatton, D.; Koponen, J.; Kronfeld, A. S.; Laiho, J.; Lepage, G. P.; Liu, Yuzhi; MacKenzie, P. B.; McNeile, C.; Neil, E. T.; Simone, J. N.; Sugar, R.; Toussaint, D.; van de Water, R. S.; Vaquero, A.; Fermilab Lattice, Hpqcd,; Milc Collaborations

2018-04-01

All lattice-QCD calculations of the hadronic-vacuum-polarization contribution to the muon's anomalous magnetic moment to date have been performed with degenerate up- and down-quark masses. Here we calculate directly the strong-isospin-breaking correction to aμHVP for the first time with physical values of mu and md and dynamical u , d , s , and c quarks, thereby removing this important source of systematic uncertainty. We obtain a relative shift to be applied to lattice-QCD results obtained with degenerate light-quark masses of δ aμHVP ,mu≠md=+1.5 (7 )% , in agreement with estimates from phenomenology.

Strong-Isospin-Breaking Correction to the Muon Anomalous Magnetic Moment from Lattice QCD at the Physical Point

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

Chakraborty, B.; Davies, C. T. H.; DeTar, C.

All lattice-QCD calculations of the hadronic-vacuum-polarization contribution to the muon’s anomalous magnetic moment to date have been performed with degenerate up- and down-quark masses. Here we calculate directly the strong-isospin-breaking correction tomore » $${a}_{{\\mu}}^{\\mathrm{HVP}}$$ for the first time with physical values of $${m}_{u}$$ and $${m}_{d}$$ and dynamical $u$, $d$, $s$, and $c$ quarks, thereby removing this important source of systematic uncertainty. We obtain a relative shift to be applied to lattice-QCD results obtained with degenerate light-quark masses of $${\\delta}{a}_{{\\mu}}^{\\mathrm{HVP},{m}_{u}{\

Strong-Isospin-Breaking Correction to the Muon Anomalous Magnetic Moment from Lattice QCD at the Physical Point

DOE PAGES

Chakraborty, B.; Davies, C. T. H.; DeTar, C.; ...

2018-04-12

All lattice-QCD calculations of the hadronic-vacuum-polarization contribution to the muon’s anomalous magnetic moment to date have been performed with degenerate up- and down-quark masses. Here we calculate directly the strong-isospin-breaking correction tomore » $${a}_{{\\mu}}^{\\mathrm{HVP}}$$ for the first time with physical values of $${m}_{u}$$ and $${m}_{d}$$ and dynamical $u$, $d$, $s$, and $c$ quarks, thereby removing this important source of systematic uncertainty. We obtain a relative shift to be applied to lattice-QCD results obtained with degenerate light-quark masses of $${\\delta}{a}_{{\\mu}}^{\\mathrm{HVP},{m}_{u}{\

Influence of the electron intrinsic magnetic moment on the transverse dielectric permittivity of degenerate electron gas

NASA Astrophysics Data System (ADS)

Maslov, S. A.; Bobrov, V. B.; Kirillin, A. V.; Trigger, S. A.

2018-01-01

Using the linear response theory, the transverse dielectric permittivity of a homogeneous and isotropic system of charged particles is considered. In the ideal gas approximation for the polarization function, an explicit analytical expression for the transverse permittivity of a degenerate electron plasma, which takes into account electron spin, is found. This result describes both the Landau diamagnetism and Pauli paramagnetism in electron plasma. The influence of the electron intrinsic magnetic moment on the spatial and frequency dispersion of the transverse dielectric permittivity of degenerate electron plasma is numerically studied, that is crucial for determining the optical characteristics of plasma.

Pluto and Triton: Interactions Between Volatiles and Dynamics

NASA Technical Reports Server (NTRS)

Rubincam, D. P.

2001-01-01

Volatiles moving across the surfaces of Pluto and Triton can give rise to interesting dynamical consequences. Conversely, measurement of dynamical states can help constrain the movement of volatiles and interior structure of both bodies. Polar wander may theoretically occur on both Triton and Pluto. Triton's obliquity is low, so that the equatorial regions receive more insolation than the poles. Hence there is a tendency for nitrogen ice to sublime at the equator and condense at the poles, creating polar caps. If the nitrogen supply is large enough, then these caps could move in approximately 10(exp 5) years the global equivalent of 200 m of ice to the poles. At this point the equatorial moment of inertia becomes larger than the moment of inertia measured about the rotation axis, so that Triton overbalances and becomes dynamically unstable. The satellite then undergoes polar wander, restoring stability when the new equator contains the excess matter. Hence the pole may be continually wandering. Neptune raises a permanent tidal bulge on Triton, so that the satellite's surface is elongated like a football, with the long axis pointing at Neptune. This is expected to be the axis about which the pole wanders. Volatile migration would resurface the satellite to some depth and wandering would disturb leading side/trailing side crater statistics. Additional information is contained in the original extended abstract.

Ellipsoidal all-dielectric Fano resonant core-shell metamaterials

NASA Astrophysics Data System (ADS)

Reena, Reena; Kalra, Yogita; Kumar, Ajeet

2018-06-01

In this paper, ellipsoidal core (Si) and shell (SiO2) metamaterial has been proposed for highly directional properties. At the wavelength of magnetic resonance, Fano dip occurs in the backward scattering cross section and forward scattering enhancement takes place at the same wavelength so that there is an increment in the directivity. Effect on the directivity by changing the length of ellipsoidal nanoparticle along semi-axes has been analyzed. Two Fano resonances have been observed by decreasing the length of the nanoparticle along the semi-axis having electric polarization, where first and second Fano resonances are attributed to the dipole and quadrupole moments, respectively. These Fano resonant wavelengths in ellipsoidal nanoparticle exhibit higher directivity than the Kerker's type scattering or forward scattering shown by symmetrical structures like sphere. So, this core-shell metamaterial can act as an efficient directional nanoantenna.

"Fahrenheit 9/11" in the Classroom

ERIC Educational Resources Information Center

Dahlgren, Robert L.

2009-01-01

The polarized political mood engendered by the most sharply partisan Presidential election campaigns in recent memory has had an especially deleterious effect on the image of public education. This increased scrutiny has largely fallen on the shoulders of rank and file teachers who now face the most precarious moment in terms of job security since…

Measurement of the dipole moment of gaseous 1,1,1-trichlorotrifluoroethane, 1,2-difluoroethane, 1,1,2-trichlorotrifluoroethane, and 2-(difluoromethoxy)-1,1,1-trifluoroethane

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

Goodwin, A.R.H.; Morrison, G.

1992-06-25

For 4 gaseous haloethanes the dielectric constants, molecular polarizabilities, electronic polarizations, equilibrium dipole movements, and liquid densities are determined in this paper by capacitance measurements and liquid-phase index of refraction measurements. 32 refs., 4 figs., 3 tabs.

Surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy

NASA Astrophysics Data System (ADS)

Yang, Yan; Feng, Zhong-Ying; Zhang, Jian-Min

2018-05-01

The spin-polarized first-principles are used to study the surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy, and the bulk Zr2CoSn Heusler alloy are also discussed to make comparison. The conduction band minimum (CBM) of half-metallic (HM) bulk Zr2CoSn alloy is contributed by ZrA, ZrB and Co atoms, while the valence band maximum (VBM) is contributed by ZrB and Co atoms. The SnSn termination is the most stable surface with the highest spin polarizations P = 77.1% among the CoCo, ZrCo, ZrZr, ZrSn and SnSn terminations of the Zr2CoSn (001) surface. In the SnSn termination of the Zr2CoSn (001) surface, the atomic partial density of states (APDOS) of atoms in the surface, subsurface and third layers are much influenced by the surface effect and the total magnetic moment (TMM) is mainly contributed by the atomic magnetic moments of atoms in fourth to ninth layers.

Parton distributions and lattice QCD calculations: A community white paper

NASA Astrophysics Data System (ADS)

Lin, Huey-Wen; Nocera, Emanuele R.; Olness, Fred; Orginos, Kostas; Rojo, Juan; Accardi, Alberto; Alexandrou, Constantia; Bacchetta, Alessandro; Bozzi, Giuseppe; Chen, Jiunn-Wei; Collins, Sara; Cooper-Sarkar, Amanda; Constantinou, Martha; Del Debbio, Luigi; Engelhardt, Michael; Green, Jeremy; Gupta, Rajan; Harland-Lang, Lucian A.; Ishikawa, Tomomi; Kusina, Aleksander; Liu, Keh-Fei; Liuti, Simonetta; Monahan, Christopher; Nadolsky, Pavel; Qiu, Jian-Wei; Schienbein, Ingo; Schierholz, Gerrit; Thorne, Robert S.; Vogelsang, Werner; Wittig, Hartmut; Yuan, C.-P.; Zanotti, James

2018-05-01

In the framework of quantum chromodynamics (QCD), parton distribution functions (PDFs) quantify how the momentum and spin of a hadron are divided among its quark and gluon constituents. Two main approaches exist to determine PDFs. The first approach, based on QCD factorization theorems, realizes a QCD analysis of a suitable set of hard-scattering measurements, often using a variety of hadronic observables. The second approach, based on first-principle operator definitions of PDFs, uses lattice QCD to compute directly some PDF-related quantities, such as their moments. Motivated by recent progress in both approaches, in this document we present an overview of lattice-QCD and global-analysis techniques used to determine unpolarized and polarized proton PDFs and their moments. We provide benchmark numbers to validate present and future lattice-QCD calculations and we illustrate how they could be used to reduce the PDF uncertainties in current unpolarized and polarized global analyses. This document represents a first step towards establishing a common language between the two communities, to foster dialogue and to further improve our knowledge of PDFs.

Tunable magnetism in the LaAlO3/SrTiO3 heterostructure: Insights from first-principles calculations

NASA Astrophysics Data System (ADS)

Xue, Yuanbin; Zhao, Jinzhu; Shan, Yueyue; Xu, Hu

2018-04-01

By performing first-principles calculations, we explored the origin and controlling methods of magnetism in ideal and oxygen deficient (001) LaAlO3/SrTiO3 (LAO/STO) heterostructures. It was found that the ferromagnetic ordering is the ground state and that the interfacial Ti 3d electrons introduced by the LaO-termination, polar catastrophe and oxygen vacancies can all contribute to the magnetism. With respect to the ways of tuning the magnetic properties, our results show that LaO-terminated films generally carry much stronger magnetic moments than their AlO2-terminated counterparts and that the magnitude of magnetic moments can also be effectively controlled by the LAO film thickness. In addition, oxygen vacancy leads to substantial electronic reconstruction of the interfacial Ti 3d orbitals, which enhances the magnetization and makes the magnetism emerge in thinner polar LAO films. This work offers useful information to facilitate one's understanding of the magnetism and to provide clues to engineer the magnetic behaviors in related oxide heterostructures.

Parton distributions and lattice QCD calculations: A community white paper

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

Lin, Huey-Wen; Nocera, Emanuele R.; Olness, Fred

In the framework of quantum chromodynamics (QCD), parton distribution functions (PDFs) quantify how the momentum and spin of a hadron are divided among its quark and gluon constituents. Two main approaches exist to determine PDFs. The first approach, based on QCD factorization theorems, realizes a QCD analysis of a suitable set of hard-scattering measurements, often using a variety of hadronic observables. The second approach, based on first-principle operator definitions of PDFs, uses lattice QCD to compute directly some PDF-related quantities, such as their moments. Motivated by recent progress in both approaches, in this paper we present an overview of lattice-QCDmore » and global-analysis techniques used to determine unpolarized and polarized proton PDFs and their moments. We provide benchmark numbers to validate present and future lattice-QCD calculations and we illustrate how they could be used to reduce the PDF uncertainties in current unpolarized and polarized global analyses. Finally, this document represents a first step towards establishing a common language between the two communities, to foster dialogue and to further improve our knowledge of PDFs.« less

The spin structure of the deuteron

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

Frois, B.

1994-12-01

The Spin Muon Collaboration (SMC) has measured for the first time the spin-dependent structure function g{sub 1}{sup d} of the deuteron in the deep inelastic scattering of polarized muons on polarized deuterons in the kinematic range Q{sup 2} > 1 GeV{sup 2}, 0.006 < x < 0.6. The first moment {Gamma}{sub 1}{sup d} = {integral}{sub 0}{sup 1}g{sub 1}{sup d}dx = 0.023 {+-} 0.020(stat.) {+-} 0.015(syst.) is smaller than the prediction of the Ellis-Jaffe sum rules. The author finds that the fraction of the nucleon spin carried by strange quarks {Delta}s is appreciable and negative. Using earlier measurements of g{sub 1}{supmore » p}, the group can infer the first moment of the spin-dependent neutron structure function g{sub 1}{sup n}. The combined analysis of all the available data on the spin-dependent structure functions of the nucleon shows an excellent agreement among the data sets. The author does not find significant deviations from the prediction of the Bjorken sum rule.« less

Parton distributions and lattice QCD calculations: A community white paper

DOE PAGES

Lin, Huey-Wen; Nocera, Emanuele R.; Olness, Fred; ...

2018-01-31

In the framework of quantum chromodynamics (QCD), parton distribution functions (PDFs) quantify how the momentum and spin of a hadron are divided among its quark and gluon constituents. Two main approaches exist to determine PDFs. The first approach, based on QCD factorization theorems, realizes a QCD analysis of a suitable set of hard-scattering measurements, often using a variety of hadronic observables. The second approach, based on first-principle operator definitions of PDFs, uses lattice QCD to compute directly some PDF-related quantities, such as their moments. Motivated by recent progress in both approaches, in this paper we present an overview of lattice-QCDmore » and global-analysis techniques used to determine unpolarized and polarized proton PDFs and their moments. We provide benchmark numbers to validate present and future lattice-QCD calculations and we illustrate how they could be used to reduce the PDF uncertainties in current unpolarized and polarized global analyses. Finally, this document represents a first step towards establishing a common language between the two communities, to foster dialogue and to further improve our knowledge of PDFs.« less

Electronic and magnetic properties of Zn1-xFexSe alloys

NASA Astrophysics Data System (ADS)

Khatta, Swati; Tripathi, S. K.; Prakash, Satya

2017-12-01

The spin polarized density functional theory along with self consistent plane wave pseudopotential method is used to investigate electronic and magnetic properties of ternary Zn1-xFexSe alloys with x = 0.125, 0.25, 0.5 and 0.75. The exchange-correlation potential treated within generalized gradient approximation is used. The calculated spin-polarized band structures, partial and total density of states reveal that Zn0.875Fe0.125Se and Zn0.75Fe0.25Se exhibit half metallic ferromagnetic characteristics and Zn0.50Fe0.50Se is nearly half metallic in nature. The half metallic band gaps for x = 0.125 and 0.25 are 0.69 and 0.39 eV respectively, while the corresponding band gaps are 0.86 and 0.81 eV. The p-d hybridization reduces the magnetic moment of Fe atoms from its free space charge value of 4 μB and induces the small magnetic moments on Zn and Se sites. The results are compared with available experimental data.

Polarization-correlation diagnostics and differentiation of cholelithiasis in patients with chronic cholecystitis combined with diabetes mellitus type 2

NASA Astrophysics Data System (ADS)

Marchuk, Yu F.; Fediv, O. I.; Ivashchuk, I. O.; Andriychuk, D. R.

2011-09-01

The principles of optical modeling of human bile polycrystalline structure are described. The main types of polycrystalline structures are detailed. It has been proposed and founded the scenarios of formation of bile microscopic images polarization structure in coherent radiation. The results of investigating the interrelation between statistical moments of the 1st-4th order are presented that characterize the coordinate distributions of intensity of laser images of bile smears of cholelithiasis patients in combination with other pathologies. The diagnostic criteria of the cholelithiasis nascency and its severity degree differentiation are determined.

Polarization-correlation diagnostics and differentiation of cholelithiasis in patients with chronic cholecystitis combined with diabetes mellitus type 2

NASA Astrophysics Data System (ADS)

Marchuk, Yu F.; Fediv, O. I.; Ivashchuk, I. O.; Andriychuk, D. R.

2012-01-01

The principles of optical modeling of human bile polycrystalline structure are described. The main types of polycrystalline structures are detailed. It has been proposed and founded the scenarios of formation of bile microscopic images polarization structure in coherent radiation. The results of investigating the interrelation between statistical moments of the 1st-4th order are presented that characterize the coordinate distributions of intensity of laser images of bile smears of cholelithiasis patients in combination with other pathologies. The diagnostic criteria of the cholelithiasis nascency and its severity degree differentiation are determined.

Lunar Science from Lunar Laser Ranging

NASA Technical Reports Server (NTRS)

Williams, J. G.; Boggs, D. H.; Ratcliff, J. T.

2013-01-01

Variations in rotation and orientation of the Moon are sensitive to solid-body tidal dissipation, dissipation due to relative motion at the fluid-core/solid-mantle boundary, tidal Love number k2, and moment of inertia differences. There is weaker sensitivity to flattening of the core/mantle boundary (CMB) and fluid core moment of inertia. Accurate Lunar Laser Ranging (LLR) measurements of the distance from observatories on the Earth to four retroreflector arrays on the Moon are sensitive to variations in lunar rotation, orientation and tidal displacements. Past solutions using the LLR data have given results for Love numbers plus dissipation due to solid-body tides and fluid core. Detection of the fluid core polar minus equatorial moment of inertia difference due to CMB flattening is weakly significant. This strengthens the case for a fluid lunar core. Future approaches are considered to detect a solid inner core.

Electronic structure and magnetic properties of Dy adatom on Ir surface

NASA Astrophysics Data System (ADS)

Shick, A. B.; Lichtenstein, A. I.

2018-05-01

The electronic structure and magnetism of individual Dy atom adsorbed on the (1 1 1) surface of Ir is investigated using the combination of the density functional theory with the Hubbard-I approximation to the Anderson impurity model (DFT + HIA). The Dy3+ adatom is found magnetic with the magnetic moment of 9.35μB in the external magnetic field. The spin and orbital magnetic moments, and their ratio are evaluated, and compared with the X-ray magnetic circular dichroism data. The positive magnetic anisotropy energy of ≈ 1.3 meV determines the out-of-plane orientation of the Dy adatom magnetic moment. The role of 5d-4f interorbital exchange polarization in modification of the 4f shell energy spectrum is emphasized. We predict the Dy magnetization to drop by the factor of three with switching off the external magnetic field.

Monovacancy paramagnetism in neutron-irradiated graphite probed by 13C NMR.

PubMed

Zhang, Z T; Xu, C; Dmytriieva, D; Molatta, S; Wosnitza, J; Wang, Y T; Helm, M; Zhou, Shengqiang; Kühne, H

2017-10-20

We report on the magnetic properties of monovacancy defects in neutron-irradiated graphite, probed by 13 C nuclear magnetic resonance spectroscopy. The bulk paramagnetism of the defect moments is revealed by the temperature dependence of the NMR frequency shift and spectral linewidth, both of which follow a Curie behavior, in agreement with measurements of the macroscopic magnetization. Compared to pristine graphite, the fluctuating hyperfine fields generated by the defect moments lead to an enhancement of the 13 C nuclear spin-lattice relaxation rate [Formula: see text] by about two orders of magnitude. With an applied magnetic field of 7.1 T, the temperature dependence of [Formula: see text] below about 10 K can well be described by a thermally activated form, [Formula: see text], yielding a singular Zeeman energy of ([Formula: see text]) meV, in excellent agreement with the sole presence of polarized, non-interacting defect moments.

Investigation of solvent polarity effect on molecular structure and vibrational spectrum of xanthine with the aid of quantum chemical computations.

PubMed

Polat, Turgay; Yıldırım, Gurcan

2014-04-05

The main scope of this study is to determine the effects of 8 solvents on the geometric structure and vibrational spectra of the title compound, xanthine, by means of the DFT/B3LYP level of theory in the combination with the polarizable conductor continuum model (CPCM) for the first time. After determination of the most-steady state (favored structure) of the xanthine molecule, the role of the solvent polarity on the SCF energy (for the molecule stability), atomic charges (for charge distribution) and dipole moments (for molecular charge transfer) belonging to tautomer is discussed in detail. The results obtained indicate not only the presence of the hydrogen bonding and strong intra-molecular charge transfer (ICT) in the compound but the increment of the molecule stability with the solvent polarity, as well. Moreover, it is noted that the optimized geometric parameters and the theoretical vibrational frequencies are in good agreement with the available experimental results found in the literature. In fact, the correlations between the experimental and theoretical findings for the molecular structures improve with the enhancement of the solvent polarity. At the same time, the dimer forms of the xanthine compound are simulated to describe the effect of intermolecular hydrogen bonding on the molecular geometry and vibrational frequencies. It is found that the CO and NH stretching vibrations shift regularly to lower frequency value with higher IR intensity as the dielectric medium enhances systematically due to the intermolecular NH⋯O hydrogen bonds. Theoretical vibrational spectra are also assigned based on the potential energy distribution (PED) using the VEDA 4 program. Copyright © 2013 Elsevier B.V. All rights reserved.

Full Moment Tensor Analysis Using First Motion Data at The Geysers Geothermal Field

NASA Astrophysics Data System (ADS)

Boyd, O.; Dreger, D. S.; Lai, V. H.; Gritto, R.

2012-12-01

Seismicity associated with geothermal energy production at The Geysers Geothermal Field in northern California has been increasing during the last forty years. We investigate source models of over fifty earthquakes with magnitudes ranging from Mw 3.5 up to Mw 4.5. We invert three-component, complete waveform data from broadband stations of the Berkeley Digital Seismic Network, the Northern California Seismic Network and the USA Array deployment (2005-2007) for the complete, six-element moment tensor. Some solutions are double-couple while others have substantial non-double-couple components. To assess the stability and significance of non-double-couple components, we use a suite of diagnostic tools including the F-test, Jackknife test, bootstrap and network sensitivity solution (NSS). The full moment tensor solutions of the studied events tend to plot in the upper half of the Hudson source type diagram where the fundamental source types include +CLVD, +LVD, tensile-crack, DC and explosion. Using the F-test to compare the goodness-of-fit values between the full and deviatoric moment tensor solutions, most of the full moment tensor solutions do not show a statistically significant improvement in fit over the deviatoric solutions. Because a small isotropic component may not significantly improve the fit, we include first motion polarity data to better constrain the full moment tensor solutions.

High-frequency, transient magnetic susceptibility of ferroelectrics

NASA Astrophysics Data System (ADS)

Grimes, Craig A.

1996-10-01

A significant high-frequency magnetic susceptibility was measured both in weakly polarized and nonpolarized samples of barium titanate, lead zirconate titanate, and carnauba wax. Magnetic susceptibility measurements were made from 10 to 500 MHz using a thin film permeameter at room temperature; initial susceptibilities ranged from 0.1 to 2.5. These values are larger than expected for paramagnets and smaller than expected for ferromagnets. It was found that the magnetic susceptibility decreases rapidly with exposure to the exciting field. The origin of the magnetic susceptibility is thought to originate with the applied time varying electric field associated with the susceptibility measurements. An electric field acts to rotate an electric dipole, creating a magnetic quadrupole if the two moments are balanced, and a net magnetic dipole moment if imbalanced. It is thought that local electrostatic fields created at ferroelectric domain discontinuities associated with grain boundaries create an imbalance in the anion rotation that results in a net, measurable, magnetic moment. The origin of the magnetic aftereffect may be due to the local heating of the material through the moving charges associated with the magnetic moment.

Dynamics of the Solar Wind Electromagnetic Energy Transmission Into Magnetosphere during Large Geomagnetic Storms

NASA Astrophysics Data System (ADS)

Kuznetsova, Tamara; Laptukhov, Alexej; Petrov, Valery

Causes of the geomagnetic activity (GA) in the report are divided into temporal changes of the solar wind parameters and the changes of the geomagnetic moment orientation relative directions of the solar wind electric and magnetic fields. Based on our previous study we concluded that a reconnection based on determining role of mutual orientation of the solar wind electric field and geomagnetic moment taking into account effects of the Earth's orbital and daily motions is the most effective compared with existing mechanisms. At present a reconnection as paradigma that has applications in broad fields of physics needs analysis of experimental facts to be developed. In terms of reconnection it is important not only mutual orientation of vectors describing physics of interaction region but and reconnection rate which depends from rate of energy flux to those regions where the reconnection is permitted. Applied to magnetosphere these regions first of all are dayside magnetopause and polar caps. Influence of rate of the energy flux to the lobe magnetopause (based on calculations of the Poyting electromagnetic flux component controlling the reconnection rate along the solar wind velocity Pv) on planetary GA (Dst, Kp indices) is investigated at different phases of geomagnetic storms. We study also the rate of energy flux to the polar caps during storms (based on calculations of the Poyting flux vector component along the geomagnetic moment Pm) and its influence on magnetic activity in the polar ionosphere: at the auroral zone (AU,AL indices). Results allow to evaluate contributions of high and low latitude sources of electromagnetic energy to the storm development and also to clear mechanism of the electromagnetic energy transmission from the solar wind to the magnetosphere. We evaluate too power of the solar wind electromagnetic energy during well-known large storms and compare result with power of the energy sources of other geophysical processes (atmosphere, ocean, earthquakes and etc). The study was supported by a grant of RFBR, n 06-05-64998.

Cosmogenic signature of geomagnetic reversals and excursions from the Réunion event to the Matuyama-Brunhes transition (0.7-2.14 Ma interval)

NASA Astrophysics Data System (ADS)

Simon, Quentin; Bourlès, Didier L.; Thouveny, Nicolas; Horng, Chorng-Shern; Valet, Jean-Pierre; Bassinot, Franck; Choy, Sandrine

2018-01-01

Long-term variations of the geomagnetic dipole moment (GDM) during periods of stable polarity and in transitional states (reversals and excursions) provide key information for understanding the geodynamo regime. Following several studies dealing with the Brunhes chron and the Matuyama-Brunhes transition, this study presents a new authigenic 10Be/9Be ratio (Be-ratio) record obtained from the MD97-2143 core (western Pacific Ocean). This new Be-ratio series yields a record of GDM variations covering the early Brunhes and mid to late Matuyama time period (i.e. 700-2140 ka), independently from the relative paleointensity (RPI) record obtained from the same core, that can be compared with available RPI records and stacks. Stratigraphic offsets measured between the Be-ratio peaks and the corresponding RPI minima reach 2 to 14 cm. They can be assigned to (post-) detrital remanent magnetization (pDRM) effects leading to magnetization locking-in delays varying from 2 to 12 ka in the studied core. 10Be overproduction episodes triggered by geomagnetic dipole moment lows (GDL) linked to polarity reversals and excursions confirm the global control exerted by the GDM on cosmogenic radionuclides production. A dipole moment reconstruction derived from the Beryllium-10 (BeDiMo) was compiled and calibrated using absolute paleointensity data. This independent record complements the available paleomagnetic RPI records, permitting 1) to overcome the pDRM lock-in offsets induced below the mixing layer, 2) to confront and increase the robustness and precision of GDM reconstructions and, 3) to better constrain the chronology of geomagnetic field instabilities during the mid to late Matuyama chron. Our new 10Be derived inventory is fully compatible with the GDL series linked to geomagnetic polarity reversals and events (Matuyama-Brunhes transition, Jaramillo and Olduvai subchron boundaries, Cobb Mountain, Réunion) and it strengthens the occurrence of several excursions (Kamikatsura, Santa Rosa, Punaruu, Bjorn, Gilsa, Gardar) that were until now reported from only sparse locations.

Three years of lightning impulse charge moment change measurements in the United States

NASA Astrophysics Data System (ADS)

Cummer, Steven A.; Lyons, Walter A.; Stanley, Mark A.

2013-06-01

We report and analyze 3 years of lightning impulse charge moment change (iCMC) measurements obtained from an automated, real time lightning charge moment change network (CMCN). The CMCN combines U.S. National Lightning Detection Network (NLDN) lightning event geolocations with extremely low frequency (≲1 kHz) data from two stations to provide iCMC measurements across the entire United States. Almost 14 million lightning events were measured in the 3 year period. We present the statistical distributions of iCMC versus polarity and NLDN-measured peak current, including corrections for the detection efficiency of the CMCN versus peak current. We find a broad distribution of iCMC for a given peak current, implying that these parameters are at best only weakly correlated. Curiously, the mean iCMC does not monotonically increase with peak current, and in fact, drops for positive CG strokes above +150 kA. For all positive strokes, there is a boundary near 20 C km that separates seemingly distinct populations of high and low iCMC strokes. We also explore the geographic distribution of high iCMC lightning strokes. High iCMC positive strokes occur predominantly in the northern midwest portion of the U.S., with a secondary peak over the gulf stream region just off the U.S. east coast. High iCMC negative strokes are also clustered in the midwest, although somewhat south of most of the high iCMC positive strokes. This is a region far from the locations of maximum occurrence of high peak current negative strokes. Based on assumed iCMC thresholds for sprite production, we estimate that approximately 35,000 positive polarity and 350 negative polarity sprites occur per year over the U.S. land and near-coastal areas. Among other applications, this network is useful for the nowcasting of sprite-producing storms and storm regions.

Numerical modeling of magnetic moments for UXO applications

USGS Publications Warehouse

Sanchez, V.; Li, Y.; Nabighian, M.; Wright, D.

2006-01-01

The surface magnetic anomaly observed in UXO clearance is mainly dipolar and, consequently, the dipole is the only magnetic moment regularly recovered in UXO applications. The dipole moment contains information about intensity of magnetization but lacks information about shape. In contrast, higher-order moments, such as quadrupole and octupole, encode asymmetry properties of the magnetization distribution within the buried targets. In order to improve our understanding of magnetization distribution within UXO and non-UXO objects and its potential utility in UXO clearance, we present a 3D numerical modeling study for highly susceptible metallic objects. The basis for the modeling is the solution of a nonlinear integral equation describing magnetization within isolated objects. A solution for magnetization distribution then allows us to compute magnetic moments of the object, analyze their relationships, and provide a depiction of the surface anomaly produced by different moments within the object. Our modeling results show significant high-order moments for more asymmetric objects situated at depths typical of UXO burial, and suggest that the increased relative contribution to magnetic gradient data from these higher-order moments may provide a practical tool for improved UXO discrimination.

Relative importance of magnetic moments in UXO clearance applications

USGS Publications Warehouse

Sanchez, V.; Li, Y.; Nabighian, M.; Wright, D.

2006-01-01

Surface magnetic anomaly observed in UXO clearance is mainly dipolar and, as a result, the dipole is the only moment used regularly in UXO applications. The dipole moment contains intensity of magnetization information but lacks shape information. Unlike dipole, higher-order moments, such as quadrupole and octupole, encode asymmetry properties of magnetization distribution within buried targets. In order to improve our understanding of magnetization distribution within UXO and non-UXO objects and its potential utility in UXO clearance, we present results of a 3D numerical modeling study for highly susceptible metallic objects. The basis for modeling is the solution of a nonlinear integral equation, describing magnetization within isolated objects, allowing us to compute magnetic moments of the object, analyze their relationships, and provide a depiction of the surface anomaly produced by the different moments within the object. Our modeling results show significant high-order moments for more asymmetric objects situated at typical UXO burial depths, and suggest that the increased relative contribution to magnetic gradient data from these higher-order moments may provide a practical tool for improved UXO discrimination. ?? 2005 Society of Exploration Geophysicists.

LO-TO splittings, effective charges and interactions in electro-optic meta-nitroaniline crystal as studied by polarized IR reflection and transmission spectra

NASA Astrophysics Data System (ADS)

Szostak, M. M.; Le Calvé, N.; Romain, F.; Pasquier, B.

1994-10-01

The polarized IR reflection spectra of the meta-nitroaniline ( m-NA) single crystal along the a, b and c crystallographic axes as well as the b and c polarized transmission spectra have been measured in the 100-400 cm -1 region. The LO-TO splitting values have been calculated from the reflection spectra by fitting them with the four parameter dielectric function. The dipole moment derivatives, relevant to dynamic effective charges, of the vibrations have also been calculated and used to check the applicability of the oriented gas model (OGM) to reflection spectra. The discrepancies from the OGM have been discussed in terms of vibronic couplings, weak hydrogen bondings (HB) and intramolecular charge transfer.

Hamiltonian fluid closures of the Vlasov-Ampère equations: From water-bags to N moment models

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

Perin, M.; Chandre, C.; Tassi, E.

2015-09-15

Moment closures of the Vlasov-Ampère system, whereby higher moments are represented as functions of lower moments with the constraint that the resulting fluid system remains Hamiltonian, are investigated by using water-bag theory. The link between the water-bag formalism and fluid models that involve density, fluid velocity, pressure and higher moments is established by introducing suitable thermodynamic variables. The cases of one, two, and three water-bags are treated and their Hamiltonian structures are provided. In each case, we give the associated fluid closures and we discuss their Casimir invariants. We show how the method can be extended to an arbitrary numbermore » of fields, i.e., an arbitrary number of water-bags and associated moments. The thermodynamic interpretation of the resulting models is discussed. Finally, a general procedure to derive Hamiltonian N-field fluid models is proposed.« less

Comparison of the angles and corresponding moments in the knee and hip during restricted and unrestricted squats.

PubMed

Lorenzetti, Silvio; Gülay, Turgut; Stoop, Mirjam; List, Renate; Gerber, Hans; Schellenberg, Florian; Stüssi, Edgar

2012-10-01

The aim of this study was to compare the angles and corresponding moments in the knee and hip during squats. Twenty subjects performed restricted and unrestricted squats with barbell loads that were 0, ¼, and ½ their body weight. The experimental setup consisted of a motion capture system and 2 force plates. The moments were calculated using inverse dynamics. During the unrestricted squats, the maximum moments in the knee were significantly higher, and those in the hip were significantly lower than during restricted squats. At the lowest position, the maximum knee flexion angles were approximately 86° for the restricted and approximately 106° for the unrestricted techniques, whereas the maximum hip flexion angle was between 95° and 100°. The higher moments in the hip during restricted squats suggest a higher load of the lower back. Athletes who aim to strengthen their quadriceps should consider unrestricted squats because of the larger knee load and smaller back load.

Hyperhoneycomb Iridate β -Li2IrO3 as a Platform for Kitaev Magnetism

NASA Astrophysics Data System (ADS)

Takayama, T.; Kato, A.; Dinnebier, R.; Nuss, J.; Kono, H.; Veiga, L. S. I.; Fabbris, G.; Haskel, D.; Takagi, H.

2015-02-01

A complex iridium oxide β -Li2IrO3 crystallizes in a hyperhoneycomb structure, a three-dimensional analogue of honeycomb lattice, and is found to be a spin-orbital Mott insulator with Jeff=1 /2 moment. Ir ions are connected to the three neighboring Ir ions via Ir -O2-Ir bonding planes, which very likely gives rise to bond-dependent ferromagnetic interactions between the Jeff=1 /2 moments, an essential ingredient of Kitaev model with a spin liquid ground state. Dominant ferromagnetic interaction between Jeff=1 /2 moments is indeed confirmed by the temperature dependence of magnetic susceptibility χ (T ) which shows a positive Curie-Weiss temperature θCW˜+40 K . A magnetic ordering with a very small entropy change, likely associated with a noncollinear arrangement of Jeff=1 /2 moments, is observed at Tc=38 K . With the application of magnetic field to the ordered state, a large moment of more than 0.35 μB/Ir is induced above 3 T, a substantially polarized Jeff=1 /2 state. We argue that the close proximity to ferromagnetism and the presence of large fluctuations evidence that the ground state of hyperhoneycomb β -Li2IrO3 is located in close proximity of a Kitaev spin liquid.

Full moment tensors for small events (Mw < 3) at Uturuncu volcano, Bolivia

NASA Astrophysics Data System (ADS)

Alvizuri, Celso; Tape, Carl

2016-09-01

We present a catalogue of full seismic moment tensors for 63 events from Uturuncu volcano in Bolivia. The events were recorded during 2011-2012 in the PLUTONS seismic array of 24 broad-band stations. Most events had magnitudes between 0.5 and 2.0 and did not generate discernible surface waves; the largest event was Mw 2.8. For each event we computed the misfit between observed and synthetic waveforms, and we used first-motion polarity measurements to reduce the number of possible solutions. Each moment tensor solution was obtained using a grid search over the 6-D space of moment tensors. For each event, we show the misfit function in eigenvalue space, represented by a lune. We identify three subsets of the catalogue: (1) six isotropic events, (2) five tensional crack events, and (3) a swarm of 14 events southeast of the volcanic centre that appear to be double couples. The occurrence of positively isotropic events is consistent with other published results from volcanic and geothermal regions. Several of these previous results, as well as our results, cannot be interpreted within the context of either an oblique opening crack or a crack-plus-double-couple model. Proper characterization of uncertainties for full moment tensors is critical for distinguishing among physical models of source processes.

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.

In vivo measured joint friction in hip implants during walking after a short rest

PubMed Central

Damm, Philipp; Bender, Alwina; Duda, Georg; Bergmann, Georg

2017-01-01

Introduction It has been suspected that friction in hip implants is higher when walking is initiated after a resting period than during continuous movement. It cannot be excluded that such increased initial moments endanger the cup fixation in the acetabulum, overstress the taper connections in the implant or increase wear. To assess these risks, the contact forces, friction moments and friction coefficients in the joint were measured in vivo in ten subjects. Instrumented hip joint implants with telemetric data transmission were used to access the contact loads between the cup and head during the first steps of walking after a short rest. Results The analysis demonstrated that the contact force is not increased during the first step. The friction moment in the joint, however, is much higher during the first step than during continuous walking. The moment increases throughout the gait cycle were 32% to 143% on average and up to 621% individually. The high initial moments will probably not increase wear by much in the joint. However, comparisons with literature data on the fixation resistance of the cup against moments made clear that the stability can be endangered. This risk is highest during the first postoperative months for cementless cups with insufficient under-reaming. The high moments after a break can also put taper connections between the head and neck and neck and shaft at a higher risk. Discussion During continuous walking, the friction moments individually were extremely varied by factors of 4 to 10. Much of this difference is presumably caused by the varying lubrication properties of the synovia. These large moment variations can possibly lead to friction-induced temperature increases during walking, which are higher than the 43.1°C which have previously been observed in a group of only five subjects. PMID:28350858

Analysis of RF emissions from laser induced breakdown of atmospheric air and metals

NASA Astrophysics Data System (ADS)

Paturi, Prem Kiran; Lakshmi, Vinoth Kumar; Elle, Manikanta; Chelikani, Leela

2013-10-01

The low frequency (RF, microwave) emissions from laser produced plasma (LPP) are of great interest because of their variety of applications. The RF waves emitted by the nanosecond LPP of atmospheric air and metal (Al, Cu) targets were detected using antennas over frequency ranges (30 MHz-18 GHz) and were monitored using a spectrum analyzer (3 Hz-50 GHz). With different target materials, the dominant emission lines were observed to fall in different specific frequency ranges within the detection limit. The emissions from Cu were in the higher frequency range (100-200 MHz) than that of Al (30-100 MHz) may be due to the higher electron density of Cu, which contributes to the LPP conductivity. From the LPP of atmospheric air, the RF output was found to be increasing with the input laser energy up to certain value, beyond which almost no emission was observed. This effect is attributed to the modification in the net induced dipole moment due to the multiple plasma sources in the LPP at higher input laser energies. The detected radiation was observed to be dependent on laser and antenna polarization. Further studies may lead to an efficient technique for material identification from the RF characteristic peaks.

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.

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

Boroun, G. R., E-mail: grboroun@gmail.com, E-mail: boroun@razi.ac.ir; Zarrin, S.; Dadfar, S.

We evaluate the non-singlet spin-dependent structure function g{sub 1}{sup NS} at leading order (LO) and next-to-leading order (NLO) by using the Laplace-transform technique and method of characteristics and also obtain its first moment at NLO. The polarized non-singlet structure function results are compared with the data from HERMES (A. Airapetian et al., Phys. Rev. D 75, 012007 (2007)) and E143 (K. Abe et al. (E143 Collab.), Phys. Rev. D 58, 112003 (1998)) at LO and NLO analyses and the first-moment the result at NLO is compared with the result of the NLO GRSV2000 fit. Considering the solution, this method ismore » valid at low- and large-x regions.« less

Strong-Isospin-Breaking Correction to the Muon Anomalous Magnetic Moment from Lattice QCD at the Physical Point.

PubMed

Chakraborty, B; Davies, C T H; DeTar, C; El-Khadra, A X; Gámiz, E; Gottlieb, Steven; Hatton, D; Koponen, J; Kronfeld, A S; Laiho, J; Lepage, G P; Liu, Yuzhi; Mackenzie, P B; McNeile, C; Neil, E T; Simone, J N; Sugar, R; Toussaint, D; Van de Water, R S; Vaquero, A

2018-04-13

All lattice-QCD calculations of the hadronic-vacuum-polarization contribution to the muon's anomalous magnetic moment to date have been performed with degenerate up- and down-quark masses. Here we calculate directly the strong-isospin-breaking correction to a_{μ}^{HVP} for the first time with physical values of m_{u} and m_{d} and dynamical u, d, s, and c quarks, thereby removing this important source of systematic uncertainty. We obtain a relative shift to be applied to lattice-QCD results obtained with degenerate light-quark masses of δa_{μ}^{HVP,m_{u}≠m_{d}}=+1.5(7)%, in agreement with estimates from phenomenology.

Consistent force field modeling of matrix isolated molecules. V. Minimum energy path potential to the conformer conversion of 1,2-difluoroethane: Ar 364, ab initio calculation of electric multipole moments and electric polarization contribution to the conversion barrier

NASA Astrophysics Data System (ADS)

Gunde, R.; Ha, T.-K.; Günthard, H. H.

1990-08-01

In this paper results of consistent force field modeling (CFF) of the potential function to conversion of the gauche (g) to the trans (t) conformer of 1,2-difluoroethane (DFE) isolated in an argon matrix will be reported. Starting point are locally stable configurations gDFE:Ar 364 (defect GH1) and tDFE:Ar 364 (TH1) obtained in previous work from CFF modeling of a cube shaped Ar 364 fragment containing one DFE molecule in its center. Using the dihedral angle of DFE as an independent parameter the minimum energy path of the conversion process gDFE:Ar 364→tDFE:Ar 364 will be determined by CFF energy minimization. Determination of the minimum energy path is found to require large numbers of energy minimization steps and to lead to a rather complicated motion of the molecule with respect to the crystal fragment. Surprisingly the molecule-matrix interactions lead to a reduction of the g-t barrier by ≈500 cal/mol and to a stabilization of the trans species by ≈500 cal/mol. This finding is a consequence of a delicate interplay of matrix-molecule and matrix-matrix interactions. Calculation of the electric polarization energy (induced dipole-first-order polarization approximation) is based on extended ab initio calculations of dipole and quadrupole moments and a bond polarizability estimate of the first-order polarizability of DFE as a function of the internal rotation angle, on Fourier expansion of multipole components and use of symmetry for reduction of the order of the linear system defining the (self-consistent) induced dipole moments of all Ar atoms. Electric polarization is found to alter the potential function of the conversion process in a profound way: the g-t barrier and the t-g energy difference are increased to ≈3000 cal/mol and to ≈1500 cal/mol respectively (≈2500 and ≈530 cal/mol respectively for free DFE). Further applications of the technique developed in this work to related problems of matrix isolated molecules, e.g., vibrational matrix shifts will be discussed.

Polarized Neutron Studies on Antiferromagnetic Single Crystals: Technical Report No. 4

DOE R&D Accomplishments Database

Nathans, R.; Riste, T.; Shirane, G.; Shull, C.G.

1958-11-26

The theory of neutron scattering by magnetic crystals as given by Halpern and Johnson predicts changes in the polarization state of the neutron beam upon scattering which depend upon the relative orientation of the neutron polarization vector and the crystal magnetic axis. This was investigated experimentally with a polarized beam spectrometer using single crystals of Cr{sub 2}O{sub 3} and alpha - Fe{sub 2}O{sub 3} in which reside unique antiferromagnetic axes. Studies were made on several different reflections in both crystals for a number of different temperatures both below and above the Neel point. Results support the theoretical predictions and indicate directions for the moments in these crystals consistent with previous work. A more detailed study of the polarization changes in the (111) reflection in alpha - Fe{sub 2}O{sub 3} at room temperature on application of a magnetic field was carried out, The results indicate that the principal source of the parasitic ferromagnetism in hematite is essentially independent of the orientation of the antiferromagnetic domains within the crystal.

Probing specific oxides as potential supports for metal/oxide model catalysts: MgO(111) polar film

NASA Astrophysics Data System (ADS)

Grigorkina, G. S.; Ramonova, A. G.; Kibizov, D. D.; Kozyrev, E. N.; Zaalishvili, V. B.; Fukutani, K.; Magkoev, T. T.

2017-05-01

The growth of thermally evaporated magnesium oxide thin film on Mo(110) substrate in ultra-high vacuum was studied by means of Auger electron spectroscopy (AES), low-energy electron diffraction (LEED) and work function (WF) measurements. It is shown that at a growth rate of c.a. 0.1 monolayer per minute and the substrate temperature of 600 K the film acquires the MgO(111) structure. This structure begins to form at two monolayers and holds up to six monolayers. At higher thickness the film disorders due to weakening of the ordering effect of the isosymmetric Mo(110) support. Adsorption of CO and H2 on the formed MgO(111) film cooled down to 90 K was studied by means of ultraviolet photoelectron spectroscopy (UPS) and reflection absorption infrared spectroscopy (RAIRS) and compared with in-situ obtained results for CO on Pt(111). Comparison of UPS data of CO on MgO(111) and Pt(111) in combination with RAIRS results reveals quite different bonding mechanisms on the metal and the oxide supports. The main feature of CO on MgO(111) is quite high intensity of CO stretch vibration, considerably exceeding that on amorphous MgO, and comparable to that of CO on Pt(111). This is presumably due to the electrostatic effect of the uncompensated microscopic dipole moment of ultrathin MgO(111) film on the enhancing of CO dynamical dipole moment. Adsorption of H2 dramatically reduces the CO stretch intensity as a possible result of removing of dipole moment of MgO(111) surface by hydrogen and (CO+H2) interaction.

Microstructure and Cross-Sectional Shape of Limb Bones in Great Horned Owls and Red-Tailed Hawks: How Do These Features Relate to Differences in Flight and Hunting Behavior?

PubMed Central

Marelli, Crystal A.; Simons, Erin L. R.

2014-01-01

The Red-tailed Hawk and Great Horned Owl are two species of raptor that are similar in body size, diet, and habitat. Both species use their hindlimbs during hunting, but differ in foot morphology, how they approach and immobilize prey, and the average size of prey captured. They also differ in primary flight style: the Red-tailed Hawk uses static soaring and the Great Horned Owl uses flap-gliding. The objectives of this study were to characterize the microstructure and cross-sectional shape of limb bones of these species and examine the relationship with flight and hunting behaviors. The mid-shaft of six limb bones from six individuals of each species was sampled. The degree of bone laminarity (proportion of circular primary vascular canals) and cross-sectional geometric parameters were calculated. In both species, the humerus and femur exhibited features that suggest high resistance to torsional loading, whereas the tibiotarsus and phalanges had a shape more likely to resist compression and bending in a specific plane. The femur of the Red-tailed Hawk exhibited higher laminarity and larger polar moment of area than that of the Great Horned Owl. The tibiotarsus was more elliptical than that of the Great Horned Owl. The hawk approaches prey from a more horizontal axis, takes prey of greater mass, and is more likely to pursue prey on the ground, which could potentially be causing more torsional loads on the femur and bending loads on the tibiotarsus. In addition, differences in polar moment of area of the phalanges between the species could relate to differences in foot morphology or digit length. The humerus and ulna of the flap-gliding Great Horned Owl are more elliptical than the static soaring Red-tailed Hawk, a shape that may better resist the bending loads associated with a larger amount of flapping. PMID:25162595

Microstructure and cross-sectional shape of limb bones in Great Horned Owls and Red-tailed Hawks: how do these features relate to differences in flight and hunting behavior?

PubMed

Marelli, Crystal A; Simons, Erin L R

2014-01-01

The Red-tailed Hawk and Great Horned Owl are two species of raptor that are similar in body size, diet, and habitat. Both species use their hindlimbs during hunting, but differ in foot morphology, how they approach and immobilize prey, and the average size of prey captured. They also differ in primary flight style: the Red-tailed Hawk uses static soaring and the Great Horned Owl uses flap-gliding. The objectives of this study were to characterize the microstructure and cross-sectional shape of limb bones of these species and examine the relationship with flight and hunting behaviors. The mid-shaft of six limb bones from six individuals of each species was sampled. The degree of bone laminarity (proportion of circular primary vascular canals) and cross-sectional geometric parameters were calculated. In both species, the humerus and femur exhibited features that suggest high resistance to torsional loading, whereas the tibiotarsus and phalanges had a shape more likely to resist compression and bending in a specific plane. The femur of the Red-tailed Hawk exhibited higher laminarity and larger polar moment of area than that of the Great Horned Owl. The tibiotarsus was more elliptical than that of the Great Horned Owl. The hawk approaches prey from a more horizontal axis, takes prey of greater mass, and is more likely to pursue prey on the ground, which could potentially be causing more torsional loads on the femur and bending loads on the tibiotarsus. In addition, differences in polar moment of area of the phalanges between the species could relate to differences in foot morphology or digit length. The humerus and ulna of the flap-gliding Great Horned Owl are more elliptical than the static soaring Red-tailed Hawk, a shape that may better resist the bending loads associated with a larger amount of flapping.

The structure of polarization maps of skin histological sections in the Fourier domain for the tasks of benign and malignant formations differentiation

NASA Astrophysics Data System (ADS)

Ushenko, V. A.; Dubolazov, A. V.; Savich, V. O.; Novakovskaya, O. Y.; Olar, O. V.; Marchuk, Y. F.

2015-02-01

The optical model of birefringent networks of biological tissues is presented. The technique of Fourier polarimetry for selection of manifestations of linear and circular birefringence of protein fibrils is suggested. The results of investigations of statistical (statistical moments of the 1st-4th orders), correlation (dispersion and excess of autocorrelation functions) and scalar-self-similar (logarithmic dependencies of power spectra) structure of Fourier spectra of polarization azimuths distribution of laser images of skin samples are presented. The criteria of differentiation of postoperative biopsy of benign (keratoma) and malignant (adenocarcinoma) skin tumors are determined.

Crystalline smectic E phase revisited in case of symmetrical dibenzo-18-crown-6-ether azomethine dimers

NASA Astrophysics Data System (ADS)

Cozan, Vasile; Ardeleanu, Rodinel; Airinei, Anton; Timpu, Daniel

2018-03-01

Three symmetric azomethine dimers having dibenzo-18-crown-6-ether as internal moiety and halogens (F, Cl, Br) as terminal functional groups were synthesized and characterized by FTIR and 1H NMR spectroscopy. Their thermal behavior was investigated by polarized optical microscopy (POM) and DSC techniques. Interesting textures have been observed at cooling by POM as being representative for a soft crystalline smectic phase. X-ray diffraction measurements in powder at room temperature exhibited a map of reflections corresponding to crystal E phase. The influence of molecular parameters (interdigitation parameter γ, dipole moment, molecular polarizability, halogen radius) on thermal behavior was discussed. The UV-Vis investigations allowed evaluation of photostability and a bathochromic effect was noticed with the increasing of halogen atom radius. Also the values of optical band gap (Eg) are higher than those corresponding to conjugated Schiff bases.

Maritime User Requirements at High Latitudes - the MARENOR Project

NASA Astrophysics Data System (ADS)

Behlke, R.

2014-12-01

The ionosphere at high latitudes is characterised by a great variety of spatial and temporal variations that influence radio signals. In addition to navigation solutions that are based on Global Navigation Satellite Systems (GNSS), satellite communication systems also suffer from ionospheric degradation. This is worsened by harsh weather conditions, insufficient coverage by geostationary satellites and the absence of land-based augmentation infrastructure. Climate change will lead to a decrease in sea ice extent and thus to an increased use of trans-polar shipping routes, presence of gas and oil industries in the High Arctic and higher focus on Search-and-Rescue (SAR) as well as sovereignty issues. These moments usually require navigation and communication solutions that are accurate and reliable. We describe requirements presented by industrial operators on and around Svalbard. In addition, we present the MARENOR project that aims on evaluating navigation and communication systems at high latitudes including first results

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

PubMed

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

2017-03-17

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

Polarized He 3 + 2 ions in the Alternate Gradient Synchrotron to RHIC transfer line

DOE PAGES

Tsoupas, N.; Huang, H.; Méot, F.; ...

2016-09-06

The proposed electron-hadron collider (eRHIC) to be built at Brookhaven National Laboratory (BNL) will allow the collisions of 20 GeV polarized electrons with 250 GeV polarized protons, or 100 GeV/n polarized 3He +2 ions, or other unpolarized ion species. The large value of the anomalous magnetic moment of the 3He nucleus G He=(g₋2)/2=₋4.184 (where g is the g-factor of the 3He nuclear spin) combined with the peculiar layout of the transfer line which transports the beam bunches from the Alternate Gradient Synchrotron (AGS) to the Relativistic Heavy Ion Collider (RHIC) makes the transfer and injection of polarized 3He ions frommore » AGS to RHIC (AtR) a special case as we explain in the paper. Specifically in this paper we calculate the stable spin direction of a polarized 3He beam at the exit of the AtR line which is also the injection point of RHIC, and lastly, we discuss a simple modifications of the AtR beam-transfer-line, to perfectly match the stable spin direction of the injected polarized 3He beam to that of the circulating beam, at the injection point of RHIC.« less

PRIMORDIAL GRAVITATIONAL WAVES AND RESCATTERED ELECTROMAGNETIC RADIATION IN THE COSMIC MICROWAVE BACKGROUND

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

Kim, Dong-Hoon; Trippe, Sascha, E-mail: ki13130@gmail.com, E-mail: trippe@astro.snu.ac.kr

Understanding the interaction of primordial gravitational waves (GWs) with the Cosmic Microwave Background (CMB) plasma is important for observational cosmology. In this article, we provide an analysis of an apparently as-yet-overlooked effect. We consider a single free electric charge and suppose that it can be agitated by primordial GWs propagating through the CMB plasma, resulting in periodic, regular motion along particular directions. Light reflected by the charge will be partially polarized, and this will imprint a characteristic pattern on the CMB. We study this effect by considering a simple model in which anisotropic incident electromagnetic (EM) radiation is rescattered bymore » a charge sitting in spacetime perturbed by GWs, and becomes polarized. As the charge is driven to move along particular directions, we calculate its dipole moment to determine the leading-order rescattered EM radiation. The Stokes parameters of the rescattered radiation exhibit a net linear polarization. We investigate how this polarization effect can be schematically represented out of the Stokes parameters. We work out the representations of gradient modes (E-modes) and curl modes (B-modes) to produce polarization maps. Although the polarization effect results from GWs, we find that its representations, the E- and B-modes, do not practically reflect the GW properties such as strain amplitude, frequency, and polarization states.« less

On the polarization of the green emission of polyfluorenes

NASA Astrophysics Data System (ADS)

Yang, X. H.; Neher, D.; Spitz, C.; Zojer, E.; Brédas, J. L.; Güntner, R.; Scherf, U.

2003-10-01

An experimental and theoretical study of the anisotropic optical properties of polyfluorenes (PFs) bearing ketonic defects is presented. Polarized emission experiments performed on photooxidized aligned PF layers indicate that the transition dipole of the "green" CT π-π* transition of the keto-defect is oriented parallel to the chain direction. It is further observed that the polarization ratio of the green emission is slightly smaller than that of the blue emission component originating from undisturbed chains. Quantum mechanical calculations have been performed to support these observations. It is shown that the transition dipole moment of the CT π-π* transition of the defect is slightly misaligned with respect to the π-π* transition of the undisturbed PF chain, and that the angle between both depends on the chain conformation. For the most probably 5/2 helical conformation, this angle is, however, smaller than 5°. Further, polarized PL spectroscopy with polarized excitation has been performed to determine the extent of energy migration prior to emission from the keto-defect. For excitation at 380 nm, the polarization ratio of the green emission is essentially independent of the excitation polarization, indicating almost complete depolarization of the excitation before it is captured at a defect site. In contrast to this, energy migration after direct excitation of the keto-defect is inefficient or even absent.

First-principles study on stability, and growth strategies of small AlnZr (n=1-9) clusters

NASA Astrophysics Data System (ADS)

Li, Zhi; Zhou, Zhonghao; Wang, Hongbin; Li, Shengli; Zhao, Zhen

2016-09-01

The geometries, relative stability as well as growth strategies of the AlnZr (n=1-9) clusters are investigated with spin polarized density functional theory: BLYP. The results reveal that the AlnZr clusters are more likely to form the dense accumulation structures than the AlN (N=1-10) clusters. The average binding energies of AlnZr are higher than those of AlN clusters. The AlnZr (n=3, 5, and 7) clusters are more stable than others by the differences of the total binding energies. Mülliken population analysis for the AlnZr clusters shows that the electron's adsorption ability of Zr is slightly lower than that of Al except for AlZr cluster. Local peaks of the HOMO-LUMO gap curve are found at n=3, 5, and 7. The reaction energies of AlnZr are higher, which means that AlnZr clusters are easier to react with Al clusters. Zr atom preferential reacts with Al2 cluster. Local peaks of the magnetic dipole moments are found at n=2, 5, and 8.

Effects of moment of inertia on restricted motion swing speed.

PubMed

Schorah, David; Choppin, Simon; James, David

2015-06-01

In many sports, the maximum swing speed of a racket, club, or bat is a key performance parameter. Previous research in multiple sports supports the hypothesis of an inverse association between the swing speed and moment of inertia of an implement. The aim of this study was to rigorously test and quantify this relationship using a restricted swinging motion. Eight visually identical rods with a common mass but variable moment of inertia were manufactured. Motion capture technology was used to record eight participants' maximal effort swings with the rods. Strict exclusion criteria were applied to data that did not adhere to the prescribed movement pattern. The study found that for all participants, swing speed decreased with respect to moment of inertia according to a power relationship. However, in contrast to previous studies, the rate of decrease varied from participant to participant. With further analysis it was found that participants performed more consistently at the higher end of the moment of inertia range tested. The results support the inverse association between swing speed and moment of inertia but only for higher moment of inertia implements.

Aromatic Polythiourea Dielectrics with High Energy Density, High Breakdown Strength, and Low Dielectric Loss

NASA Astrophysics Data System (ADS)

Wu, Shan; Burlingame, Quinn; Lin, Minren; Zhang, Qiming

2013-03-01

There is an increasing demand on dielectric materials with high electric energy density and low loss for a broad range of applications in modern electronics and electrical power systems such as hybrid electric vehicles (HEV), medical defibrillators, filters, and switched-mode power supplies. One major challenge in developing dielectric polymers is how to achieve high energy density Ue while maintaining low dielectric loss, even at very high-applied electric fields. Here we show that amorphous polar-polymers with very low impurity concentration can be promising for realizing such a dielectric polymer. Polar-polymer with high dipole moment and weak dipole coupling can provide relatively high dielectric constant for high Ue, eliminate polarization and conduction losses due to weak dipolar coupling and strong polar-scattering to charge carriers. Indeed, an aromatic polythiourea thin film can maintain low loss to high fields (>1 GV/m) with a high Ue (~ 24 J/cm3) , which is very attractive for energy storage capacitors.

A Low Loss Microstrip Antenna for Radiometric Applications

NASA Technical Reports Server (NTRS)

Wahid, Parveen

2000-01-01

The design and analysis of a series-fed, low-loss, inverted microstrip array antenna, operating at 1.413 GHz is presented. The antenna is composed of two subarrays. Each subarray consists of an equal number of microstrip patches all connected together with microstrip lines. In the first design microstrip array for linear polarization is presented which incorporated a series feeding technique. The next design, which is capable of dual linear polarization (V-polarization and H-polarization), utilizes a corporate feed network for the V-pol and series feed arrangement for the H-pol. The first element of each subarray for H-pol is coaxially fed with a 180 deg phase difference. This approach ensures a symmetric radiation pattern on broadside in H-pol. For the V-pol two feeds are in the same phase on the two subarrays ensuring a broadside beam in V-pol. The designs presented here are simulated using the IE3D code that utilizes the method of moments. Measured results are compared with simulated results and show good agreement.

Electric dipole moments of the fluorescent probes Prodan and Laurdan: experimental and theoretical evaluations.

PubMed

Vequi-Suplicy, Cíntia C; Coutinho, Kaline; Lamy, M Teresa

2014-03-01

Several experimental and theoretical approaches can be used for a comprehensive understanding of solvent effects on the electronic structure of solutes. In this review, we revisit the influence of solvents on the electronic structure of the fluorescent probes Prodan and Laurdan, focusing on their electric dipole moments. These biologically used probes were synthesized to be sensitive to the environment polarity. However, their solvent-dependent electronic structures are still a matter of discussion in the literature. The absorption and emission spectra of Prodan and Laurdan in different solvents indicate that the two probes have very similar electronic structures in both the ground and excited states. Theoretical calculations confirm that their electronic ground states are very much alike. In this review, we discuss the electric dipole moments of the ground and excited states calculated using the widely applied Lippert-Mataga equation, using both spherical and spheroid prolate cavities for the solute. The dimensions of the cavity were found to be crucial for the calculated dipole moments. These values are compared to those obtained by quantum mechanics calculations, considering Prodan in vacuum, in a polarizable continuum solvent, and using a hybrid quantum mechanics-molecular mechanics methodology. Based on the theoretical approaches it is evident that the Prodan dipole moment can change even in the absence of solute-solvent-specific interactions, which is not taken into consideration with the experimental Lippert-Mataga method. Moreover, in water, for electric dipole moment calculations, it is fundamental to consider hydrogen-bonded molecules.

Higher moments of multiplicity fluctuations in a hadron-resonance gas with exact conservation laws

NASA Astrophysics Data System (ADS)

Fu, Jing-Hua

2017-09-01

Higher moments of multiplicity fluctuations of hadrons produced in central nucleus-nucleus collisions are studied within the hadron-resonance gas model in the canonical ensemble. Exact conservation of three charges, baryon number, electric charge, and strangeness is enforced in the large volume limit. Moments up to the fourth order of various particles are calculated at CERN Super Proton Synchrotron, BNL Relativistic Heavy Ion Collider (RHIC), and CERN Large Hadron Collider energies. The asymptotic fluctuations within a simplified model with only one conserved charge in the canonical ensemble are discussed where simple analytical expressions for moments of multiplicity distributions can be obtained. Moments products of net-proton, net-kaon, and net-charge distributions in Au + Au collisions at RHIC energies are calculated. The pseudorapidity coverage dependence of net-charge fluctuation is discussed.

Improved half-metallic gap of zincblende half-metal superlattices with the Tran-Blaha modified Becke-Johnson density functional

NASA Astrophysics Data System (ADS)

Guo, San-Dong

2016-08-01

Binary transition-metal pnictides and chalcogenides half-metallic ferromagnetic materials with zincblende structure, being compatible with current semiconductor technology, can be used to make high-performance spintronic devices. Here, we investigate electronic structures and magnetic properties of composite structure ((CrX)2 /(YX)2 (X=As, Sb; Se, Te and Y=Ga; Zn) superlattices) of zincblende half-metallic ferromagnetism and semiconductor by using Tran and Blaha's modified Becke and Johnson (mBJ) exchange potential. Calculated results show that they all are half-metallic ferromagnets with both generalized gradient approximation (GGA) and mBJ, and the total magnetic moment per formula unit follows a Slater-Pauling-like "rule of 8". The key half-metallic gaps by using mBJ are enhanced with respect to GGA results, which is because mBJ makes the occupied minority-spin p-bands move toward lower energy, but toward higher energy for empty minority-spin Cr-d bands. When the spin-orbit coupling (SOC) is included, the spin polarization deviates from 100%, and a most reduced polarization of 98.3% for (CrSb)2 /(GaSb)2, which indicates that SOC has small effects, of the order of 1%, in the considered four kinds of superlattice.

Three-dimensional modeling and quantitative analysis of gap junction distributions in cardiac tissue.

PubMed

Lackey, Daniel P; Carruth, Eric D; Lasher, Richard A; Boenisch, Jan; Sachse, Frank B; Hitchcock, Robert W

2011-11-01

Gap junctions play a fundamental role in intercellular communication in cardiac tissue. Various types of heart disease including hypertrophy and ischemia are associated with alterations of the spatial arrangement of gap junctions. Previous studies applied two-dimensional optical and electron-microscopy to visualize gap junction arrangements. In normal cardiomyocytes, gap junctions were primarily found at cell ends, but can be found also in more central regions. In this study, we extended these approaches toward three-dimensional reconstruction of gap junction distributions based on high-resolution scanning confocal microscopy and image processing. We developed methods for quantitative characterization of gap junction distributions based on analysis of intensity profiles along the principal axes of myocytes. The analyses characterized gap junction polarization at cell ends and higher-order statistical image moments of intensity profiles. The methodology was tested in rat ventricular myocardium. Our analysis yielded novel quantitative data on gap junction distributions. In particular, the analysis demonstrated that the distributions exhibit significant variability with respect to polarization, skewness, and kurtosis. We suggest that this methodology provides a quantitative alternative to current approaches based on visual inspection, with applications in particular in characterization of engineered and diseased myocardium. Furthermore, we propose that these data provide improved input for computational modeling of cardiac conduction.

Single crystal polarized neutron diffraction study of the magnetic structure of HoFeO3.

PubMed

Chatterji, T; Stunault, A; Brown, P J

2017-09-27

Polarised neutron diffraction measurements have been made on HoFeO 3 single crystals magnetised in both the [0 0 1] and [1 0 0] directions (Pbnm setting). The polarisation dependencies of Bragg reflection intensities were measured both with a high field of [Formula: see text] T parallel to [0 0 1] at [Formula: see text] K and with the lower field [Formula: see text] T parallel to [1 0 0] at [Formula: see text] K. A Fourier projection of magnetization induced parallel to [0 0 1], made using the hk0 reflections measured in 9 T, indicates that almost all of it is due to alignment of Ho moments. Further analysis of the asymmetries of general reflections in these data showed that although, at 70 K, 9 T applied parallel to [0 0 1] hardly perturbs the antiferromagnetic order of the Fe sublattices, it induces significant antiferromagnetic order of the Ho sublattices in the [Formula: see text] plane, with the antiferromagnetic components of moment having the same order of magnitude as the induced ferromagnetic ones. Strong intensity asymmetries measured in the low temperature [Formula: see text] structure with a lower field, 0.5 T [Formula: see text] [1 0 0] allowed the variation of the ordered components of the Ho and Fe moments to be followed. Their absolute orientations, in the [Formula: see text] domain stabilised by the field were determined relative to the distorted perovskite structure. This relationship fixes the sign of the Dzyalshinski-Moriya (D-M) interaction which leads to the weak ferromagnetism. Our results indicate that the combination of strong y-axis anisotropy of the Ho moments and Ho-Fe exchange interactions breaks the centrosymmetry of the structure and could lead to ferroelectric polarization.

PolarPortal.org Communicates Real-Time Developments in the Arctic

NASA Astrophysics Data System (ADS)

Langen, P. L.; Andersen, S. B.; Andersen, K. K.; Andersen, M. L.; Ahlstrom, A. P.; van As, D.; Barletta, V. R.; Box, J. E.; Citterio, M.; Colgan, W. T.; Dybkjær, G.; Forsberg, R.; Høyer, J. L.; Jensen, M. B.; Kliem, N.; Mottram, R.; Nielsen, K. P.; Olesen, M.; Quaglia, F. C.; Rasmussen, T. A.; Rodehacke, C. B.; Stendel, M.; Sandberg Sørensen, L.; Tonboe, R. T.

2014-12-01

PolarPortal.org was launched in June 2013 by a consortium of Danish institutions, including the Danish Meteorological Institute (DMI), the Geological Survey of Denmark and Greenland (GEUS) and the National Space Institute at the Technical University of Denmark (DTU-Space). Polar Portal is a single web portal presenting a wide range of near real-time information on both the Greenland ice sheet and Arctic sea-ice in a format geared for non-specialists. Polar Portal aims to meet widespread public interest in a diverse range of climate-cryosphere processes in the Arctic: What is the present Greenland ice sheet contribution to sea level rise? How quickly are outlet glaciers retreating or advancing right now? How extensive is Arctic sea-ice or how warm is the Arctic Ocean at this moment? Although public interest in such topics is widely acknowledged, an important primary task for the scientists behind Polar Portal was collaborating with media specialists to establish the knowledge range of the general public on these topics, in order for Polar Portal to appropriately present useful climate-cryosphere information. Consequently, Polar Portal is designed in a highly visual exploratory format, where individual data products are accompanied by plain written summaries, with hyperlinks to relevant journal papers for more scrutinizing users. Numerous satellite and in situ observations, together with model output, are channeled daily into the Greenland ice sheet and Arctic sea-ice divisions of Polar Portal.

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

PubMed

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

1993-08-20

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

Narrative spaces between intractability outside the clinic.

PubMed

Wiederhold, Anna M

2014-01-01

In this essay, the author reflects on her experience conducting field research outside an abortion clinic amid volatile protests and counterprotests. She identifies moments of convergence in the oppositional groups' narrative explanations for participating in the weekly protests, and contemplates the possibilities for dialogue in these sorts of intractable conflicts. She concludes with reflections on communication scholars' roles in engaging with polarizing health narratives.

Studies of magnetostriction and spin polarized band structures of rare earth intermetallics

NASA Technical Reports Server (NTRS)

Wallace, W. E.

1979-01-01

Anisotropic magnetostriction measurements of R6Fe23, R = (Tb, Dy, Ho, and Er) were carried out from 77 K to room temperature. Magnetic fields up to 2.1 Tesla were applied. All the compounds exhibited large magnetostrictions at 77 K, the largest effect being obtained for Tb6Fe23. Saturation magnetostriction values for the compounds were also determined for 77 K and room temperature. Results of the temperature dependence of magnetostriction for Er6Fe23 are in good agreement with Callen and Callen's single ion theory. Therefore, the main sources of magnetostriction in this compound is the Er ion. The spin-up and spin-down electronic energy bands, the density of states and the magnetic moments of YCo5, SmCo5, and GdCo5 were calculated by the spin polarized augmented plane wave technique. The calculations obtained show the origin of the moment, provide good estimates of its magnitude and variation, and the reasons for those variations. They also show the important role of partial charge transfer and of d-d electronic coupling. Calculations for LaNi5 and GdNi5 systems are discussed.

Characterizing microstructural features of biomedical samples by statistical analysis of Mueller matrix images

NASA Astrophysics Data System (ADS)

He, Honghui; Dong, Yang; Zhou, Jialing; Ma, Hui

2017-03-01

As one of the salient features of light, polarization contains abundant structural and optical information of media. Recently, as a comprehensive description of polarization property, the Mueller matrix polarimetry has been applied to various biomedical studies such as cancerous tissues detections. In previous works, it has been found that the structural information encoded in the 2D Mueller matrix images can be presented by other transformed parameters with more explicit relationship to certain microstructural features. In this paper, we present a statistical analyzing method to transform the 2D Mueller matrix images into frequency distribution histograms (FDHs) and their central moments to reveal the dominant structural features of samples quantitatively. The experimental results of porcine heart, intestine, stomach, and liver tissues demonstrate that the transformation parameters and central moments based on the statistical analysis of Mueller matrix elements have simple relationships to the dominant microstructural properties of biomedical samples, including the density and orientation of fibrous structures, the depolarization power, diattenuation and absorption abilities. It is shown in this paper that the statistical analysis of 2D images of Mueller matrix elements may provide quantitative or semi-quantitative criteria for biomedical diagnosis.

Nuclear quadrupole moment-induced Cotton-Mouton effect in molecules

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

Fu, Li-juan, E-mail: lijuan.fu@oulu.fi, E-mail: juha.vaara@iki.fi; Vaara, Juha, E-mail: lijuan.fu@oulu.fi, E-mail: juha.vaara@iki.fi

Nuclear magneto-optic effects could make important contributions to novel, high-sensitivity, and high-resolution spectroscopic and imaging methods that provide nuclear site-specific structural and dynamic information on molecular and materials systems. Here we present a first-principles electronic structure formulation of nuclear quadrupole moment-induced Cotton-Mouton effect in terms of response theory, as well as ab initio and density-functional theory calculations of this phenomenon for a series of molecular liquids: H{sub 2}O, CH{sub 3}NO{sub 2}, CH{sub 3}CH{sub 2}OH, C{sub 6}H{sub 6}, C{sub 6}H{sub 12} (cyclohexane), HI, XeF{sub 2}, WF{sub 5}Cl, and Pt(C{sub 2}dtp){sub 2}. The roles of basis-set convergence, electron correlation, and relativistic effectsmore » are discussed. The estimated order of magnitude of the overall ellipticities induced to linearly polarized light is 10{sup −3}–10{sup −7} rad/(M cm) for fully spin polarized nuclei. The cases with the largest presently obtained ellipticities should be detectable with modern instrumentation in the Voigt magneto-optic setup, particularly for the heavy nuclei.« less

Synthesis, spectral behaviour and photophysics of donor-acceptor kind of chalcones: Excited state intramolecular charge transfer and fluorescence quenching studies

NASA Astrophysics Data System (ADS)

Pannipara, Mehboobali; Asiri, Abdullah M.; Alamry, Khalid A.; Arshad, Muhammad N.; El-Daly, Samy A.

2015-02-01

The spectral and photophysical properties of two chalcones containing electron donating and accepting groups with intramolecular charge transfer characteristics were synthesized and characterized by 1H NMR, 13C NMR and X-ray crystallography. Both compounds show very strong solvent polarity dependent changes in their photophysical characteristics, namely, remarkable red shift in the emission spectra with increasing solvent polarity, large change in Stokes shift, significant reduction in the fluorescence quantum yield; indicating that the fluorescence states of these compounds are of intramolecular charge transfer (ICT) character. The solvent effect on the photophysical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment, fluorescence spectra, and fluorescence quantum yield of both compounds have been investigated comprehensively. For both dyes, Lippert-Mataga and Reichardt's correlations were used to estimate the difference between the excited and ground state dipole moments (Δμ). The interactions of dyes with colloidal silver nanoparticles (Ag NPs) were also studied in ethanol 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 dyes by Ag NPs.

Supercontinent cycles and the calculation of absolute palaeolongitude in deep time.

PubMed

Mitchell, Ross N; Kilian, Taylor M; Evans, David A D

2012-02-08

Traditional models of the supercontinent cycle predict that the next supercontinent--'Amasia'--will form either where Pangaea rifted (the 'introversion' model) or on the opposite side of the world (the 'extroversion' models). Here, by contrast, we develop an 'orthoversion' model whereby a succeeding supercontinent forms 90° away, within the great circle of subduction encircling its relict predecessor. A supercontinent aggregates over a mantle downwelling but then influences global-scale mantle convection to create an upwelling under the landmass. We calculate the minimum moment of inertia about which oscillatory true polar wander occurs owing to the prolate shape of the non-hydrostatic Earth. By fitting great circles to each supercontinent's true polar wander legacy, we determine that the arc distances between successive supercontinent centres (the axes of the respective minimum moments of inertia) are 88° for Nuna to Rodinia and 87° for Rodinia to Pangaea--as predicted by the orthoversion model. Supercontinent centres can be located back into Precambrian time, providing fixed points for the calculation of absolute palaeolongitude over billion-year timescales. Palaeogeographic reconstructions additionally constrained in palaeolongitude will provide increasingly accurate estimates of ancient plate motions and palaeobiogeographic affinities.

Transition metal intercalated bilayer silicene

NASA Astrophysics Data System (ADS)

Pandey, Dhanshree; Kamal, C.; Chakrabarti, Aparna

2018-04-01

We investigate the electronic and magnetic properties of Mn, Fe and Co-intercalated silicene bilayer with AA and AB stacking by using spin polarized density functional theory. The intercalation of Mn increases the gap between the two layers of silicene due to the larger atomic radii of Mn as compared to Fe and Co. Bader charge analysis has been performed to understand the bonding between the TM and Si atoms. This also helps in explaining the magnetic moment possessed by the composite systems after intercalating TM in between the layers of bilayer silicene system. This study reveals that a significant net magnetic moment is observed in cases of Mn-intercalated silicene bilayers, whereas Fe has a very small moment of 0.78 µB in the case of AA stacking configuration only. Co intercalation leads to net zero magnetic moment. Further, we find that Fe and Co marginally favor the AB stacking whereas Mn has a slight preference of the AA over the AB configuration. The composite systems, specifically when intercalated with Fe and Co atoms, favor a hybridization which is far away from sp3-like hybridization along the plane of Si atoms in bilayer silicene.

Dy-V magnetic interaction and local structure bias on the complex spin and orbital ordering in Dy₁₋ xTb xVO₃ (x=0 and 0.2)

DOE PAGES

Yan, J.-Q.; Cao, H. B.; McGuire, M. A.; ...

2013-06-10

The spin and orbital ordering in Dy₁₋ xTb xVO₃ (x=0 and 0.2) was studied by measuring x-ray powder diffraction, magnetization, specific heat, and neutron single-crystal diffraction. The results show that G-OO/C-AF and C-OO/G-AF phases coexist in Dy 0.8Tb 0.20VO 3 in the temperature range 2–60 K, and the volume fraction of each phase is temperature and field dependent. The ordering of Dy moments at T* = 12 K induces a transition from G-OO/C-AF to a C-OO/G-AF phase. Magnetic fields suppress the long-range order of Dy moments and thus the C-OO/G-AF phase below T*. The polarized moments induced at the Dymore » sublattice by external magnetic fields couple to the V 3d moments, and this coupling favors the G-OO/C-AF state. Also discussed is the effect of the Dy-V magnetic interaction and local structure distortion on the spin and orbital ordering in Dy₁₋ xTb xVO₃.« less

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

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

Gim, Yeongrok; Department of Chemistry, Ajou University, Suwon 443-749; Lee, Chun-Woo, E-mail: clee@ajou.ac.kr

2014-10-14

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipolemore » moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n{sup 2}. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s–d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n{sup −3/2} dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.« less

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

NASA Astrophysics Data System (ADS)

Gim, Yeongrok; Lee, Chun-Woo

2014-10-01

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipole moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n2. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s-d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n-3/2 dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.

Magnetic and dipole moments in indium doped barium hexaferrites

NASA Astrophysics Data System (ADS)

Trukhanov, S. V.; Trukhanov, A. V.; Turchenko, V. A.; Trukhanov, An. V.; Tishkevich, D. I.; Trukhanova, E. L.; Zubar, T. I.; Karpinsky, D. V.; Kostishyn, V. G.; Panina, L. V.; Vinnik, D. A.; Gudkova, S. A.; Trofimov, E. A.; Thakur, P.; Thakur, A.; Yang, Y.

2018-07-01

Crystal and magnetic structure of the doped BaFe12-xInxO19 samples were refined by the results of investigations using high resolution neutron powder diffraction and vibration sample magnetometry at different temperatures. The refinements were realized in frame of two space groups. The P63/mmc (No 194) centrosymmetric nonpolar and P63mc (No 186) noncentrosymmetric polar space groups were used. The unit cell parameters, ionic coordinates, thermal isotropic factors, occupation positions, bond lengths and bond angles, microstrain values were established. The magnetic and dipole moments were also defined. It is established that the In3+ cations may be located only in the Fe1 - 2a and Fe2 - 2b crystallographic positions with equal probability for the sample with lowest substitution level x = 0.1. At the x = 1.2 substitution level about half of the In3+ cations occupies the Fe5 - 12 k positions. For the last sample the remaining half of the In3+ cations is equiprobably located in the Fe1 - 2a and Fe2 - 2b positions. The spontaneous polarization was established for these compositions at 300 K. It is studied the influence of the type of substitutive cation and structural parameters on the Fe3+(i) - O2- - Fe3+(j) (i, j = 1, 2, 3, 4, 5) indirect superexchange interactions with temperature. With substitution level increase the superexchange interactions between the magnetic positions inside and outside the sublattices are broken which leads to a decrease in the value of their magnetic moments.

Proximity effects across oxide-interfaces of superconductor-insulator-ferromagnet hybrid heterostructure.

PubMed

Prajapat, C L; Singh, Surendra; Bhattacharya, D; Ravikumar, G; Basu, S; Mattauch, S; Zheng, Jian-Guo; Aoki, T; Paul, Amitesh

2018-02-27

A case study of electron tunneling or charge-transfer-driven orbital ordering in superconductor (SC)-ferromagnet (FM) interfaces has been conducted in heteroepitaxial YBa 2 Cu 3 O 7 (YBCO)/La 0.67 Sr 0.33 MnO 3 (LSMO) multilayers interleaved with and without an insulating SrTiO 3 (STO) layer between YBCO and LSMO. X-ray magnetic circular dichroism experiments revealed anti-parallel alignment of Mn magnetic moments and induced Cu magnetic moments in a YBCO/LSMO multilayer. As compared to an isolated LSMO layer, the YBCO/LSMO multilayer displayed a (50%) weaker Mn magnetic signal, which is related to the usual proximity effect. It was a surprise that a similar proximity effect was also observed in a YBCO/STO/LSMO multilayer, however, the Mn signal was reduced by 20%. This reduced magnetic moment of Mn was further verified by depth sensitive polarized neutron reflectivity. Electron energy loss spectroscopy experiment showed the evidence of Ti magnetic polarization at the interfaces of the YBCO/STO/LSMO multilayer. This crossover magnetization is due to a transfer of interface electrons that migrate from Ti (4+)-δ to Mn at the STO/LSMO interface and to Cu 2+ at the STO/YBCO interface, with hybridization via O 2p orbitals. So charge-transfer driven orbital ordering is the mechanism responsible for the observed proximity effect and Mn-Cu anti-parallel coupling in YBCO/STO/LSMO. This work provides an effective pathway in understanding the aspect of long range proximity effect and consequent orbital degeneracy parameter in magnetic coupling.

Too Few Examples, Too Much Law

ERIC Educational Resources Information Center

Hamilton, Neil W.

2012-01-01

This "crucible moment" in which democratic capitalism finds itself does not call for more government mandates to dictate progressive activism in higher education. Rather, this crucible moment calls higher education on its own initiative to focus on the moral foundation that both democracy and capitalism require. The foundation of democratic…

Kondo physics in non-local metallic spin transport devices.

PubMed

O'Brien, L; Erickson, M J; Spivak, D; Ambaye, H; Goyette, R J; Lauter, V; Crowell, P A; Leighton, C

2014-05-29

The non-local spin-valve is pivotal in spintronics, enabling separation of charge and spin currents, disruptive potential applications and the study of pressing problems in the physics of spin injection and relaxation. Primary among these problems is the perplexing non-monotonicity in the temperature-dependent spin accumulation in non-local ferromagnetic/non-magnetic metal structures, where the spin signal decreases at low temperatures. Here we show that this effect is strongly correlated with the ability of the ferromagnetic to form dilute local magnetic moments in the NM. This we achieve by studying a significantly expanded range of ferromagnetic/non-magnetic combinations. We argue that local moments, formed by ferromagnetic/non-magnetic interdiffusion, suppress the injected spin polarization and diffusion length via a manifestation of the Kondo effect, thus explaining all observations. We further show that this suppression can be completely quenched, even at interfaces that are highly susceptible to the effect, by insertion of a thin non-moment-supporting interlayer.

Single-domain multiferroic BiFeO 3 films

DOE PAGES

Kuo, Chang -Yang; Hu, Z.; Yang, J. C.; ...

2016-09-01

The strong coupling between antiferromagnetism and ferroelectricity at room temperature found in BiFeO 3 generates high expectations for the design and development of technological devices with novel functionalities. However, the multi-domain nature of the material tends to nullify the properties of interest and complicates the thorough understanding of the mechanisms that are responsible for those properties. Here we report the realization of a BiFeO 3 material in thin film form with single-domain behaviour in both its magnetism and ferroelectricity: the entire film shows its antiferromagnetic axis aligned along the crystallographic b axis and its ferroelectric polarization along the c axis.more » With this we are able to reveal that the canted ferromagnetic moment due to the Dzyaloshinskii–Moriya interaction is parallel to the a axis. Moreover, by fabricating a Co/BiFeO 3 heterostructure, we demonstrate that the ferromagnetic moment of the Co film does couple directly to the canted moment of BiFeO 3.« less

Monovacancy paramagnetism in neutron-irradiated graphite probed by ¹³C NMR.

PubMed

Zhang, Zhi Tao; Xu, C; Dmytriieva, Daryna; Molatta, Sebastian; Wosnitza, J; Wang, Y T; Helm, Manfred; Zhou, Shengqiang; Kuehne, Hannes

2017-09-18

We report on the magnetic properties of monovacancy defects in neutron-irradiated graphite, probed by $^{13}$C nuclear magnetic resonance spectroscopy. The bulk paramagnetism of the defect moments is revealed by the temperature dependence of the NMR frequency shift and spectral linewidth, both of which follow a Curie behavior, in agreement with measurements of the macroscopic magnetization. Compared to pristine graphite, the fluctuating hyperfine fields generated by the defect moments lead to an enhancement of the $^{13}$C nuclear spin-lattice relaxation rate $1/T_{1}$ by about two orders of magnitude. With an applied magnetic field of 7.1 T, the temperature dependence of $1/T_{1}$ below about 10 K can well be described by a thermally activated form, $1/T_{1}\\propto\\exp(-\\Delta/k_{B}T)$, yielding a singular Zeeman energy of ($0.41\\pm0.01$) meV, in excellent agreement with the sole presence of polarized, non-interacting defect moments. © 2017 IOP Publishing Ltd.

Reentry aerodynamics forces and moments on the engine nozzle of the 146-inch solid rocket booster model 473 tested in MSFC 14 by 14 inch trisonic wind tunnel (SA30F)

NASA Technical Reports Server (NTRS)

Johnson, J. D.; Braddock, W. F.

1975-01-01

A test of a model of the Space Shuttle Solid Rocket Boosters (SRB's) was performed in a 14 x 14 inch Trisonic Wind Tunnel to determine the aerodynamic forces and moments imposed on the nozzle of the SRB during reentry. The model, with scale dimensions equal to 0.5479 of the actual SRB dimensions, was instrumented with a six-component force balance attached to the model nozzle so that only forces and moments acting on the nozzle were measured. A total of 137 runs (20 deg pitch polars) were performed during this test. The angle of attack ranged from 60 to 185 deg, the Reynolds number from 5.2 million to 7.6 million. The Mach numbers investigated were 1.96, 2.74, and 3.48. Five external protuberances were simulated. The effective roll angle simulated was 180 deg. The effects of three different heat shield configurations were investigated.

Resonant frequencies of irregularly shaped microstrip antennas using method of moments

NASA Technical Reports Server (NTRS)

Deshpande, Manohar D.; Shively, David G.; Cockrell, C. R.

1993-01-01

This paper describes an application of the method of moments to determine resonant frequencies of irregularly shaped microstrip patches embedded in a grounded dielectric slab. For analysis, the microstrip patch is assumed to be excited by a linearly polarized plane wave that is normal to the patch. The surface-current density that is induced on the patch because of the incident field is expressed in terms of subdomain functions by dividing the patch into identical rectangular subdomains. The amplitudes of the subdomain functions, as a function of frequency, are determined using the electric-field integral equation (EFIE) approach in conjunction with the method of moments. The resonant frequencies of the patch are then obtained by selecting the frequency at which the amplitude of the surface-current density is real. The resonant frequencies of the equilateral triangular and other nonrectangular patches are computed using the present technique, and these frequencies are compared with measurements and other independent calculations.

Using radial NMR profiles to characterize pore size distributions

NASA Astrophysics Data System (ADS)

Deriche, Rachid; Treilhard, John

2012-02-01

Extracting information about axon diameter distributions in the brain is a challenging task which provides useful information for medical purposes; for example, the ability to characterize and monitor axon diameters would be useful in diagnosing and investigating diseases like amyotrophic lateral sclerosis (ALS)1 or autism.2 Three families of operators are defined by Ozarslan,3 whose action upon an NMR attenuation signal extracts the moments of the pore size distribution of the ensemble under consideration; also a numerical method is proposed to continuously reconstruct a discretely sampled attenuation profile using the eigenfunctions of the simple harmonic oscillator Hamiltonian: the SHORE basis. The work presented here extends Ozarlan's method to other bases that can offer a better description of attenuation signal behaviour; in particular, we propose the use of the radial Spherical Polar Fourier (SPF) basis. Testing is performed to contrast the efficacy of the radial SPF basis and SHORE basis in practical attenuation signal reconstruction. The robustness of the method to additive noise is tested and analysed. We demonstrate that a low-order attenuation signal reconstruction outperforms a higher-order reconstruction in subsequent moment estimation under noisy conditions. We propose the simulated annealing algorithm for basis function scale parameter estimation. Finally, analytic expressions are derived and presented for the action of the operators on the radial SPF basis (obviating the need for numerical integration, thus avoiding a spectrum of possible sources of error).

The Theoretical Problem of Partial Coherence and Partial Polarization in PolSAR and PolInSAR

NASA Astrophysics Data System (ADS)

Alvarez-Perez, J. L.

2013-08-01

Coherence is a key concept in all aspects related to SAR, and it is also an essential ingredient not only of its signal processing and image formation but also of the data postprocessing stages of SAR data. Coherence is however a non-trivial concept that has been the subject of much debate in the last sixty years, even if its definition in the context of PolInSAR has been almost univocal. Nevertheless, the mutual relationships between coherence, polarization and statistical independence in PolSAR has recently been the subject of discussion in [1]. Some of these questions affect the eigenanalysis-based approach to PolInSAR, as developed by Cloude and Papathanassiou's foundational work. Coherence involves the behaviour of electromagnetic waves in at least a pair of points and in this sense it plays an important role in interferometry that is not present in non-interferometric radar polarimetry. PolInSAR inherits some of the difficulties found in [1], which stem from the controversial confusion between coherence and polarization as present in PolSAR, as well as the ability of separating different physical contributors to the scattering phenomenon through the use of eigenvalues and eigenvectors. Although these are also issues present in eigenanalysis-based PolInSAR, it is still possible to analyze a scene in terms of coherence and this very concept of coherence is the subject of this paper. A new analysis of the concept of coherence for interferometry is proposed, including multiple observation point configurations that bring about statistical moments whose order is higher than two.

North-South Asymmetric Solar Cycle Evolution: Signatures in the Photosphere and Consequences in the Corona

NASA Astrophysics Data System (ADS)

Virtanen, I. I.; Mursula, K.

2014-02-01

The heliospheric current sheet is the continuum of the coronal magnetic equator that divides the heliospheric magnetic field into two sectors (polarities). Several recent studies have shown that the heliospheric current sheet is southward shifted during approximately 3 years in the solar declining phase (the so-called bashful ballerina phenomenon). In this article we study the hemispherical asymmetry in the photospheric and coronal magnetic fields using Wilcox Solar Observatory measurements of the photospheric magnetic field since 1976 as well as the potential field source surface model. Multipole analysis of the photospheric magnetic field shows that during the late declining phase of solar cycles since the 1970s, the "bashful ballerina phenomenon" is a consequence of the g^{0}_{2} quadrupole term, signed oppositely to the dipole moment. Surges of new flux transport magnetic field from low latitudes to the poles, thus leading to a systematically varying contribution to the g^{0}_{2}-term from different latitudes. In the case of a north-south asymmetric flux production, this is seen as a quadrupole contribution traveling toward higher latitudes. When the quadrupole term is largest, the main contribution comes from the polar latitudes. At least during the four recent solar cycles, the g^{0}_{2}-term arises because the magnitude of the southern polar field is larger than the magnitude found in the north in the declining phase of the cycle. In the heliosphere this hemispheric asymmetry of the coronal fields is seen as a southward shift of the heliospheric current sheet by about 2°.

North south asymmetry in the coronal and photospheric magnetic fields

NASA Astrophysics Data System (ADS)

Virtanen, I.; Mursula, K.

2013-12-01

Several recent studies have shown that the Heliospheric current sheet (HCS) is southward shifted during about three years in the solar declining phase (the so-called bashful ballerina phenomenon). We study the hemispherical asymmetry in the photospheric and coronal magnetic fields using Wilcox Solar Observatory (WSO) measurements of the photospheric magnetic field since 1976 and the potential field source surface (PFSS) model. Multipole analysis of the photospheric magnetic field shows that during the late declining phase of solar cycles since 1970s, bashful ballerina phenomenon is a consequence of g02 quadrupole term, signed oppositely to the dipole moment. Surges of new flux transport magnetic field from low latitudes to the poles, thus leading to a systematically varying contribution to the g02-term from different latitudes. In the case of a north-south asymmetric flux production this is seen as a quadrupole contribution traveling towards higher latitudes. When the quadrupole term is largest the main contribution comes from the polar latitudes. At least during the four recent solar cycles the g02-term arises because the magnitude of the southern polar field is larger than in the north in the declining phase of the cycle. Magnetic flux is transported polewards by the meridional flow and it is most likely that besides the north-south asymmetric production of the magnetic flux, also the asymmetric transportation may significantly contribute to the observed asymmetry of polar field intensities. The overall activity during solar cycle is not significantly different in the northern and southern hemispheres, but hemispheres tend to develop in a different phase.

Moments of action provide insight into critical times for advection-diffusion-reaction processes.

PubMed

Ellery, Adam J; Simpson, Matthew J; McCue, Scott W; Baker, Ruth E

2012-09-01

Berezhkovskii and co-workers introduced the concept of local accumulation time as a finite measure of the time required for the transient solution of a reaction-diffusion equation to effectively reach steady state [Biophys J. 99, L59 (2010); Phys. Rev. E 83, 051906 (2011)]. Berezhkovskii's approach is a particular application of the concept of mean action time (MAT) that was introduced previously by McNabb [IMA J. Appl. Math. 47, 193 (1991)]. Here, we generalize these previous results by presenting a framework to calculate the MAT, as well as the higher moments, which we call the moments of action. The second moment is the variance of action time, the third moment is related to the skew of action time, and so on. We consider a general transition from some initial condition to an associated steady state for a one-dimensional linear advection-diffusion-reaction partial differential equation (PDE). Our results indicate that it is possible to solve for the moments of action exactly without requiring the transient solution of the PDE. We present specific examples that highlight potential weaknesses of previous studies that have considered the MAT alone without considering higher moments. Finally, we also provide a meaningful interpretation of the moments of action by presenting simulation results from a discrete random-walk model together with some analysis of the particle lifetime distribution. This work shows that the moments of action are identical to the moments of the particle lifetime distribution for certain transitions.

Spin dynamics of paramagnetic centers with anisotropic g tensor and spin of ½

PubMed Central

Maryasov, Alexander G.

2012-01-01

The influence of g tensor anisotropy on spin dynamics of paramagnetic centers having real or effective spin of 1/2 is studied. The g anisotropy affects both the excitation and the detection of EPR signals, producing noticeable differences between conventional continuous-wave (cw) EPR and pulsed EPR spectra. The magnitudes and directions of the spin and magnetic moment vectors are generally not proportional to each other, but are related to each other through the g tensor. The equilibrium magnetic moment direction is generally parallel to neither the magnetic field nor the spin quantization axis due to the g anisotropy. After excitation with short microwave pulses, the spin vector precesses around its quantization axis, in a plane that is generally not perpendicular to the applied magnetic field. Paradoxically, the magnetic moment vector precesses around its equilibrium direction in a plane exactly perpendicular to the external magnetic field. In the general case, the oscillating part of the magnetic moment is elliptically polarized and the direction of precession is determined by the sign of the g tensor determinant (g tensor signature). Conventional pulsed and cw EPR spectrometers do not allow determination of the g tensor signature or the ellipticity of the magnetic moment trajectory. It is generally impossible to set a uniform spin turning angle for simple pulses in an unoriented or ‘powder’ sample when g tensor anisotropy is significant. PMID:22743542

Spin dynamics of paramagnetic centers with anisotropic g tensor and spin of 1/2

NASA Astrophysics Data System (ADS)

Maryasov, Alexander G.; Bowman, Michael K.

2012-08-01

The influence of g tensor anisotropy on spin dynamics of paramagnetic centers having real or effective spin of 1/2 is studied. The g anisotropy affects both the excitation and the detection of EPR signals, producing noticeable differences between conventional continuous-wave (cw) EPR and pulsed EPR spectra. The magnitudes and directions of the spin and magnetic moment vectors are generally not proportional to each other, but are related to each other through the g tensor. The equilibrium magnetic moment direction is generally parallel to neither the magnetic field nor the spin quantization axis due to the g anisotropy. After excitation with short microwave pulses, the spin vector precesses around its quantization axis, in a plane that is generally not perpendicular to the applied magnetic field. Paradoxically, the magnetic moment vector precesses around its equilibrium direction in a plane exactly perpendicular to the external magnetic field. In the general case, the oscillating part of the magnetic moment is elliptically polarized and the direction of precession is determined by the sign of the g tensor determinant (g tensor signature). Conventional pulsed and cw EPR spectrometers do not allow determination of the g tensor signature or the ellipticity of the magnetic moment trajectory. It is generally impossible to set a uniform spin turning angle for simple pulses in an unoriented or 'powder' sample when g tensor anisotropy is significant.

A computational study of hydrogen-bonded X3CH⋯YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N2) complexes

NASA Astrophysics Data System (ADS)

McDowell, Sean A. C.

2018-03-01

An MP2/6-311++G(3df,3pd) computational study of a series of hydrogen-bonded complexes X3CH⋯YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N2) was undertaken to assess the trends in the relative stability and other molecular properties with variation of both the X group and the chemical hardness of the Y atom of YZ. The red- and blue-shifting propensities of the proton donor X3CH were investigated by considering the Csbnd H bond length change and its associated vibrational frequency shift. The proton donor Cl3CH, which has a positive dipole moment derivative with respect to Csbnd H bond extension, tends to form red-shifted complexes, this tendency being modified by the hardness (and dipole moment) associated with the proton acceptor. On the other hand, F3CH has a negative dipole moment derivative and tends to form blue-shifted complexes, suggesting that as X becomes more electron-withdrawing, the proton donor should have a negative dipole moment derivative and form blue-shifted complexes. Surprisingly, the most polar proton donor (NC)3CH was found to have a positive dipole moment derivative and produces red-shifted complexes. A perturbative model was found useful in rationalizing the trends for the Csbnd H bond length change and associated frequency shift.

Computational modelling of locomotor muscle moment arms in the basal dinosaur Lesothosaurus diagnosticus: assessing convergence between birds and basal ornithischians

PubMed Central

Bates, Karl T; Maidment, Susannah C R; Allen, Vivian; Barrett, Paul M

2012-01-01

Ornithischia (the ‘bird-hipped’ dinosaurs) encompasses bipedal, facultative quadrupedal and quadrupedal taxa. Primitive ornithischians were small bipeds, but large body size and obligate quadrupedality evolved independently in all major ornithischian lineages. Numerous pelvic and hind limb features distinguish ornithischians from the majority of other non-avian dinosaurs. However, some of these features, notably a retroverted pubis and elongate iliac preacetabular process, appeared convergently in maniraptoran theropods, and were inherited by their avian descendants. During maniraptoran/avian evolution these pelvic modifications led to significant changes in the functions of associated muscles, involving alterations to the moment arms and the activation patterns of pelvic musculature. However, the functions of these features in ornithischians and their influence on locomotion have not been tested and remain poorly understood. Here, we provide quantitative tests of bipedal ornithischian muscle function using computational modelling to estimate 3D hind limb moment arms for the most complete basal ornithischian, Lesothosaurus diagnosticus. This approach enables sensitivity analyses to be carried out to explore the effects of uncertainties in muscle reconstructions of extinct taxa, and allows direct comparisons to be made with similarly constructed models of other bipedal dinosaurs. This analysis supports some previously proposed qualitative inferences of muscle function in basal ornithischians. However, more importantly, this work highlights ambiguities in the roles of certain muscles, notably those inserting close to the hip joint. Comparative analysis reveals that moment arm polarities and magnitudes in Lesothosaurus, basal tetanuran theropods and the extant ostrich are generally similar. However, several key differences are identified, most significantly in comparisons between the moment arms of muscles associated with convergent osteological features in ornithischians and birds. Craniad migration of the iliofemoralis group muscles in birds correlates with increased leverage and use of medial femoral rotation to counter stance phase adduction moments at the hip. In Lesothosaurus the iliofemoralis group maintains significantly higher moment arms for abduction, consistent with the hip abduction mode of lateral limb support hypothesized for basal dinosaurs. Sensitivity analysis highlights ambiguity in the role of musculature associated with the retroverted pubis (puboischiofemoralis externus group) in ornithischians. However, it seems likely that this musculature may have predominantly functioned similarly to homologous muscles in extant birds, activating during the swing phase to adduct the lower limb through lateral rotation of the femur. Overall the results suggest that locomotor muscle leverage in Lesothosaurus (and by inference basal ornithischians in general) was more similar to that of other non-avian dinosaurs than the ostrich, representing what was probably the basal dinosaur condition. This work thereby contradicts previous hypotheses of ornithischian–bird functional convergence. PMID:22211275

Computational modelling of locomotor muscle moment arms in the basal dinosaur Lesothosaurus diagnosticus: assessing convergence between birds and basal ornithischians.

PubMed

Bates, Karl T; Maidment, Susannah C R; Allen, Vivian; Barrett, Paul M

2012-03-01

Ornithischia (the 'bird-hipped' dinosaurs) encompasses bipedal, facultative quadrupedal and quadrupedal taxa. Primitive ornithischians were small bipeds, but large body size and obligate quadrupedality evolved independently in all major ornithischian lineages. Numerous pelvic and hind limb features distinguish ornithischians from the majority of other non-avian dinosaurs. However, some of these features, notably a retroverted pubis and elongate iliac preacetabular process, appeared convergently in maniraptoran theropods, and were inherited by their avian descendants. During maniraptoran/avian evolution these pelvic modifications led to significant changes in the functions of associated muscles, involving alterations to the moment arms and the activation patterns of pelvic musculature. However, the functions of these features in ornithischians and their influence on locomotion have not been tested and remain poorly understood. Here, we provide quantitative tests of bipedal ornithischian muscle function using computational modelling to estimate 3D hind limb moment arms for the most complete basal ornithischian, Lesothosaurus diagnosticus. This approach enables sensitivity analyses to be carried out to explore the effects of uncertainties in muscle reconstructions of extinct taxa, and allows direct comparisons to be made with similarly constructed models of other bipedal dinosaurs. This analysis supports some previously proposed qualitative inferences of muscle function in basal ornithischians. However, more importantly, this work highlights ambiguities in the roles of certain muscles, notably those inserting close to the hip joint. Comparative analysis reveals that moment arm polarities and magnitudes in Lesothosaurus, basal tetanuran theropods and the extant ostrich are generally similar. However, several key differences are identified, most significantly in comparisons between the moment arms of muscles associated with convergent osteological features in ornithischians and birds. Craniad migration of the iliofemoralis group muscles in birds correlates with increased leverage and use of medial femoral rotation to counter stance phase adduction moments at the hip. In Lesothosaurus the iliofemoralis group maintains significantly higher moment arms for abduction, consistent with the hip abduction mode of lateral limb support hypothesized for basal dinosaurs. Sensitivity analysis highlights ambiguity in the role of musculature associated with the retroverted pubis (puboischiofemoralis externus group) in ornithischians. However, it seems likely that this musculature may have predominantly functioned similarly to homologous muscles in extant birds, activating during the swing phase to adduct the lower limb through lateral rotation of the femur. Overall the results suggest that locomotor muscle leverage in Lesothosaurus (and by inference basal ornithischians in general) was more similar to that of other non-avian dinosaurs than the ostrich, representing what was probably the basal dinosaur condition. This work thereby contradicts previous hypotheses of ornithischian-bird functional convergence. © 2012 The Authors. Journal of Anatomy © 2012 Anatomical Society.

Cryogenic magnetic coil and superconducting magnetic shield for neutron electric dipole moment searches

NASA Astrophysics Data System (ADS)

Slutsky, S.; Swank, C. M.; Biswas, A.; Carr, R.; Escribano, J.; Filippone, B. W.; Griffith, W. C.; Mendenhall, M.; Nouri, N.; Osthelder, C.; Pérez Galván, A.; Picker, R.; Plaster, B.

2017-08-01

A magnetic coil operated at cryogenic temperatures is used to produce spatial, relative field gradients below 6 ppm/cm, stable for several hours. The apparatus is a prototype of the magnetic components for a neutron electric dipole moment (nEDM) search, which will take place at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory using ultra-cold neutrons (UCN). That search requires a uniform magnetic field to mitigate systematic effects and obtain long polarization lifetimes for neutron spin precession measurements. This paper details upgrades to a previously described apparatus [1], particularly the introduction of super-conducting magnetic shielding and the associated cryogenic apparatus. The magnetic gradients observed are sufficiently low for the nEDM search at SNS.

Search for the permanent electric dipole moment of 129Xe

NASA Astrophysics Data System (ADS)

Sachdeva, Natasha; Chupp, Timothy; Gong, Fei; Babcock, Earl; Salhi, Zahir; Burghoff, Martin; Fan, Isaac; Killian, Wolfgang; Knappe-Grüneberg, Silvia; Schabel, Allard; Seifert, Frank; Trahms, Lutz; Voigt, Jens; Degenkolb, Skyler; Fierlinger, Peter; Krägeloh, Eva; Lins, Tobias; Marino, Michael; Meinel, Jonas; Niessen, Benjamin; Stuiber, Stefan; Terrano, William; Kuchler, Florian; Singh, Jaideep

2017-09-01

CP-violation in Beyond-the-Standard-Model physics, necessary to explain the baryon asymmetry, gives rise to permanent electric dipole moments (EDMs). EDM measurements of the neutron, electron, paramagnetic and diamagnetic atoms constrain CP-violating parameters. The current limit for the 129Xe EDM is 6 ×10-27 e . cm (95 % CL). The HeXeEDM experiment at FRM-II (Munich Research Reactor) and BMSR-2 (Berlin Magnetically Shielded Room) uses a stable magnetic field in a magnetically shielded room and 3He comagnetometer with potential to improve the limit by two orders of magnitude. Polarized 3He and 129Xe free precession is detected with SQUID magnetometers in the presence of applied electric and magnetic fields. Conclusions from recent measurements will be presented.

ExoMars Lander Radioscience LaRa, a Space Geodesy Experiment to Mars.

NASA Astrophysics Data System (ADS)

Dehant, V.; Le Maistre, S.; Baland, R. M.; Yseboodt, M.; Peters, M. J.; Karatekin, O.; Rivoldini, A.; Van Hoolst, T.

2017-09-01

The LaRa (Lander Radioscience) experiment is designed to obtain coherent two-way Doppler measurements from the radio link between the ExoMars lander and Earth over at least one Martian year. The Doppler measurements will be used to observe the orientation and rotation of Mars in space (precession, nutations, and length-of-day variations), as well as polar motion. The ultimate objective is to obtain information / constraints on the Martian interior, and on the sublimation / condensation cycle of atmospheric CO2. Rotational variations will allow us to constrain the moment of inertia of the entire planet, including its mantle and core, the moment of inertia of the core, and seasonal mass transfer between the atmosphere and the ice caps.

The magnetic order of GdMn₂Ge₂ studied by neutron diffraction and x-ray resonant magnetic scattering.

PubMed

Granovsky, S A; Kreyssig, A; Doerr, M; Ritter, C; Dudzik, E; Feyerherm, R; Canfield, P C; Loewenhaupt, M

2010-06-09

The magnetic structure of GdMn₂Ge₂ (tetragonal I4/mmm) has been studied by hot neutron powder diffraction and x-ray resonant magnetic scattering techniques. These measurements, along with the results of bulk experiments, confirm the collinear ferrimagnetic structure with moment direction parallel to the c-axis below T(C) = 96 K and the collinear antiferromagnetic phase in the temperature region T(C) < T < T(N) = 365 K. In the antiferromagnetic phase, x-ray resonant magnetic scattering has been detected at Mn K and Gd L₂ absorption edges. The Gd contribution is a result of an induced Gd 5d electron polarization caused by the antiferromagnetic order of Mn-moments.

Anisotropic Exciton Rabi Oscillation in Single Telecommunication-Band Quantum Dot

NASA Astrophysics Data System (ADS)

Miyazawa, Toshiyuki; Nakaoka, Toshihiro; Watanabe, Katsuyuki; Kumagai, Naoto; Yokoyama, Naoki; Arakawa, Yasuhiko

2010-06-01

Anisotropic Rabi oscillation in the exciton state in a single InAs/GaAs quantum dot (QD) was demonstrated in the telecommunication-band by selecting two orthogonal polarization angles of the excitation laser. Our InAs QDs were embedded in an intrinsic layer of an n-i-Schottky diode, which provides an electric field to extract photoexcited carriers from QDs. Owing to the potential anisotropy of QDs, the fine structure splitting (FSS) energy in the exciton state in single InAs QDs was ˜110 µeV, measured by polarization-resolved photocurrent spectroscopy. The ratio between two different Rabi frequencies, which reflect anisotropic dipole moments of two orthogonal exciton states, was estimated to be ˜1.2. This demonstrates that the selective control of two orthogonal polarized exciton states is a promising technique for exciton-based-quantum information devices compatible with fiber optics.

Anisotropic Exciton Rabi Oscillation in Single Telecommunication-Band Quantum Dot

NASA Astrophysics Data System (ADS)

Toshiyuki Miyazawa,; Toshihiro Nakaoka,; Katsuyuki Watanabe,; Naoto Kumagai,; Naoki Yokoyama,; Yasuhiko Arakawa,

2010-06-01

Anisotropic Rabi oscillation in the exciton state in a single InAs/GaAs quantum dot (QD) was demonstrated in the telecommunication-band by selecting two orthogonal polarization angles of the excitation laser. Our InAs QDs were embedded in an intrinsic layer of an n-i-Schottky diode, which provides an electric field to extract photoexcited carriers from QDs. Owing to the potential anisotropy of QDs, the fine structure splitting (FSS) energy in the exciton state in single InAs QDs was ˜110 μeV, measured by polarization-resolved photocurrent spectroscopy. The ratio between two different Rabi frequencies, which reflect anisotropic dipole moments of two orthogonal exciton states, was estimated to be ˜1.2. This demonstrates that the selective control of two orthogonal polarized exciton states is a promising technique for exciton-based-quantum information devices compatible with fiber optics.

Spin-polarized electron emitter: Mn-doped GaN nanotubes and their arrays

NASA Astrophysics Data System (ADS)

Hao, Shaogang; Zhou, Gang; Wu, Jian; Duan, Wenhui; Gu, Bing-Lin

2004-03-01

The influences from the doping magnetic atom, Mn, on the geometry, electronic properties, and spin-polarization characteristics are demonstrated for open armchair gallium nitrogen (GaN) nanotubes and arrays by use of the first-principles calculations. The interaction between dangling bonds of Ga (Mn) and N atoms at the open-end promotes the self-close of the tube mouth and formation of a more stable open semicone top. Primarily owing to hybridization of Mn 3d and N 2p orbitals, one Mn atom introduces several impurity energy levels into the original energy gap, and the calculated magnetic moment is 4μB. The electron spin polarizations in the field emission are theoretically evaluated. We suggest that armchair open GaN nanotube arrays doped with a finite number of magnetic atoms may have application potential as the electron source of spintronic devices in the future.

Effect of anomalous tbW vertex on decay-lepton distributions in e+ e-® tt(bar) and CP-violating asymmetries

NASA Astrophysics Data System (ADS)

Rindani, Saurabh D.

2000-06-01

We obtain analytic expressions for the energy and polar-angle double differential distributions of a secondary lepton l+(l-) arising from the decay of t (tbar) in with an anomalous tbW decay vertex. We also obtain analytic expressions for the various differential cross-sections with the lepton energy integrated over. In this case, we find that the angular distributions of the secondary lepton do not depend on the anomalous coupling in the decay, regardless of possible anomalous couplings occurring in the production amplitude for . Our study includes the effect of longitudinal e- and e+ beam polarization. We also study the lepton energy and beam polarization dependence of certain CP-violating lepton angular asymmetries arising from an anomalous tbW decay vertex and compare them with the asymmetries arising due to CP-violation in the production process due to the top electric or weak dipole moment.

Selected Growth of Cubic and Hexagonal GaN Epitaxial Films on Polar MgO(111)

NASA Astrophysics Data System (ADS)

Lazarov, V. K.; Zimmerman, J.; Cheung, S. H.; Li, L.; Weinert, M.; Gajdardziska-Josifovska, M.

2005-06-01

Selected molecular beam epitaxy of zinc blende (111) or wurtzite (0001) GaN films on polar MgO(111) is achieved depending on whether N or Ga is deposited first. The cubic stacking is enabled by nitrogen-induced polar surface stabilization, which yields a metallic MgO(111)-(1×1)-ON surface. High-resolution transmission electron microscopy and density functional theory studies indicate that the atomically abrupt semiconducting GaN(111)/MgO(111) interface has a Mg-O-N-Ga stacking, where the N atom is bonded to O at a top site. This specific atomic arrangement at the interface allows the cubic stacking to more effectively screen the substrate and film electric dipole moment than the hexagonal stacking, thus stabilizing the zinc blende phase even though the wurtzite phase is the ground state in the bulk.

Induced Polarization Influences the Fundamental Forces in DNA Base Flipping

PubMed Central

2015-01-01

Base flipping in DNA is an important process involved in genomic repair and epigenetic control of gene expression. The driving forces for these processes are not fully understood, especially in the context of the underlying dynamics of the DNA and solvent effects. We studied double-stranded DNA oligomers that have been previously characterized by imino proton exchange NMR using both additive and polarizable force fields. Our results highlight the importance of induced polarization on the base flipping process, yielding near-quantitative agreement with experimental measurements of the equilibrium between the base-paired and flipped states. Further, these simulations allow us to quantify for the first time the energetic implications of polarization on the flipping pathway. Free energy barriers to base flipping are reduced by changes in dipole moments of both the flipped bases that favor solvation of the bases in the open state and water molecules adjacent to the flipping base. PMID:24976900

Electromagnetic corrections to the hadronic vacuum polarization of the photon within QEDL and QEDM

NASA Astrophysics Data System (ADS)

Bussone, Andrea; Della Morte, Michele; Janowski, Tadeusz

2018-03-01

We compute the leading QED corrections to the hadronic vacuum polarization (HVP) of the photon, relevant for the determination of leptonic anomalous magnetic moments, al. We work in the electroquenched approximation and use dynamical QCD configurations generated by the CLS initiative with two degenerate flavors of nonperturbatively O(a)-improved Wilson fermions. We consider QEDL and QEDM to deal with the finite-volume zero modes. We compare results for the Wilson loops with exact analytical determinations. In addition we make sure that the volumes and photon masses used in QEDM are such that the correct dispersion relation is reproduced by the energy levels extracted from the charged pions two-point functions. Finally we compare results for pion masses and the HVP between QEDL and QEDM. For the vacuum polarization, corrections with respect to the pure QCD case, at fixed pion masses, turn out to be at the percent level.

A Combined FEM/MoM/GTD Technique To Analyze Elliptically Polarized Cavity-Backed Antennas With Finite Ground Plane

NASA Technical Reports Server (NTRS)

Reddy, C. J.; Deshpande, M. D.; Fralick, D. T.; Cockrell, C. R.; Beck, F. B.

1996-01-01

Radiation pattern prediction analysis of elliptically polarized cavity-backed aperture antennas in a finite ground plane is performed using a combined Finite Element Method/Method of Moments/Geometrical Theory of Diffraction (FEM/MoM/GTD) technique. The magnetic current on the cavity-backed aperture in an infinite ground plane is calculated using the combined FEM/MoM analysis. GTD, including the slope diffraction contribution, is used to calculate the diffracted fields caused by both soft and hard polarizations at the edges of the finite ground plane. Explicit expressions for regular diffraction coefficients and slope diffraction coefficients are presented. The slope of the incident magnetic field at the diffraction points is derived and analytical expressions are presented. Numerical results for the radiation patterns of a cavity-backed circular spiral microstrip patch antenna excited by a coaxial probe in a finite rectangular ground plane are computed and compared with experimental results.

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.

Physics with Cold Molecules Using Buffer Gas Cooling: Precision Measurement, Collisions, and Laser Cooling

NASA Astrophysics Data System (ADS)

Hutzler, Nicholas R.; Doyle, John M.

2014-06-01

Cryogenic buffer gas cooled beams and cells can be used to study many species, from atoms and polar molecules to biomolecules. We report on recent applications of this technique to improve the limit on the electron electric dipole moment [1], load polar molecules into a magnetic trap through optical pumping [2], perform chirally sensitive microwave spectroscopy on polyatomic molecules [3], progress towards magneto-optical trapping of polar molecules [4], and studies of atom-molecule sticking [5]. [1] The ACME Collaboration: J. Baron et al., Science 343, p. 269 (2014) [2] B. Hemmerling et al., arXiv:1310.2669, to appear in Phys. Rev. Lett. [3] D. Patterson, M. Schnell, & J. M. Doyle, Nature 497, p. 475 (2013) [4] H. Lu et al., arXiv:1310.3239, to appear in New. J. Phys. [5] J. Piskorski et al., under preparation

Hadronic vacuum polarization in QCD and its evaluation in Euclidean spacetime

NASA Astrophysics Data System (ADS)

de Rafael, Eduardo

2017-07-01

We discuss a new technique to evaluate integrals of QCD Green's functions in the Euclidean based on their Mellin-Barnes representation. We present as a first application the evaluation of the lowest order hadronic vacuum polarization (HVP) contribution to the anomalous magnetic moment of the muon 1/2 (gμ-2 )HVP≡aμHVP . It is shown that with a precise determination of the slope and curvature of the HVP function at the origin from lattice QCD (LQCD), one can already obtain a result for aμHVP which may serve as a test of the determinations based on experimental measurements of the e+e- annihilation cross section into hadrons.

Is nucleon spin structure inconsistent with the constituent quark model?

NASA Astrophysics Data System (ADS)

Qing, Di; Chen, Xiang-Song; Wang, Fan

1998-12-01

Proton spin structure discovered in polarized deep inelastic scattering is shown to be consistent with the valence-sea quark mixing constituent quark model. The relativistic correction and quark-antiquark pair creation (annihilation) terms inherently involved in the quark axial vector current suppress the quark spin contribution to the proton spin. The relativistic quark orbital angular momentum provides compensative terms to keep the proton spin 12 untouched. The tensor charge of the proton is predicted to have a similar but smaller suppression. An explanation on why baryon magnetic moments can be parametrized by the naive quark model spin content as well as the spin structure discovered in polarized deep inelastic scattering is given.

Spectral and photophysical properties of intramolecular charge transfer fluorescence probe: 4'-Dimethylamino-2,5-dihydroxychalcone

NASA Astrophysics Data System (ADS)

Xu, Zhicheng; Bai, Guan; Dong, Chuan

2005-12-01

The spectral and photophysical properties of a new intramolecular charge transfer (ICT) probe, namely 4'-dimethylamino-2,5-dihydroxychalcone (DMADHC) were studied in different solvents by using steady-state absorption and emission spectroscopy. Whereas the absorption spectrum undergoes minor change with increasing polarity of the solvents, the fluorescence spectrum experiences a distinct bathochromic shift in the band position and the fluorescence quantum yield increases reaching a maximum before decrease with increasing the solvent polarity. The magnitude of change in the dipole moment was calculated based on the Lippert-Mataga equation. These results give the evidence about the intramolecular charge transfer character in the emitting singlet state of this compound.

Spectral and photophysical properties of intramolecular charge transfer fluorescence probe: 4'-dimethylamino-2,5-dihydroxychalcone.

PubMed

Xu, Zhicheng; Bai, Guan; Dong, Chuan

2005-12-01

The spectral and photophysical properties of a new intramolecular charge transfer (ICT) probe, namely 4'-dimethylamino-2,5-dihydroxychalcone (DMADHC) were studied in different solvents by using steady-state absorption and emission spectroscopy. Whereas the absorption spectrum undergoes minor change with increasing polarity of the solvents, the fluorescence spectrum experiences a distinct bathochromic shift in the band position and the fluorescence quantum yield increases reaching a maximum before decrease with increasing the solvent polarity. The magnitude of change in the dipole moment was calculated based on the Lippert-Mataga equation. These results give the evidence about the intramolecular charge transfer character in the emitting singlet state of this compound.

Implementation of quantum logic gates using polar molecules in pendular states.

PubMed

Zhu, Jing; Kais, Sabre; Wei, Qi; Herschbach, Dudley; Friedrich, Bretislav

2013-01-14

We present a systematic approach to implementation of basic quantum logic gates operating on polar molecules in pendular states as qubits for a quantum computer. A static electric field prevents quenching of the dipole moments by rotation, thereby creating the pendular states; also, the field gradient enables distinguishing among qubit sites. Multi-target optimal control theory is used as a means of optimizing the initial-to-target transition probability via a laser field. We give detailed calculations for the SrO molecule, a favorite candidate for proposed quantum computers. Our simulation results indicate that NOT, Hadamard and CNOT gates can be realized with high fidelity, as high as 0.985, for such pendular qubit states.

Investigation of geomagnetic field forecasting and fluid dynamics of the core

NASA Technical Reports Server (NTRS)

Benton, E. R. (Principal Investigator)

1981-01-01

The discovery of simple, theoretically sound upper limits for geomagnetic moments (dipole, quadrupole, etc.) provides a significant use of MAGSAT data, establishes useful constraints for future magnetic models, and bears strongly on the probable time required before the next polarity reversal can occur. The field models of MAGSAT data are of prime use and are highly suitable as supplied to date.

A Catalog of Moment Tensors and Source-type Characterization for Small Events at Uturuncu Volcano, Bolivia

NASA Astrophysics Data System (ADS)

Alvizuri, C. R.; Tape, C.

2015-12-01

We present a catalog of full seismic moment tensors for 63 events from Uturuncu volcano in Bolivia. The events were recorded during 2011-2012 in the PLUTONS seismic array of 24 broadband stations. Most events had magnitudes between 0.5 and 2.0 and did not generate discernible surface waves; the largest event was Mw 2.8. For each event we computed the misfit between observed and synthetic waveforms, and we also used first-motion polarity measurements to reduce the number of possible solutions. Each moment tensor solution was obtained using a grid search over the six-dimensional space of moment tensors. For each event we characterize the variation of moment tensor source type by plotting the misfit function in eigenvalue space, represented by a lune. We plot the optimal solutions for the 63 events on the lune in order to identify three subsets of the catalog: (1) a set of isotropic events, (2) a set of tensional crack events, and (3) a swarm of events southeast of the volcanic center that appear to be double couples. The occurrence of positively isotropic events is consistent with other published results from volcanic and geothermal regions. Several of these previous results, as well as our results, cannot be interpreted within the context of either an oblique opening crack or a crack-plus-double-couple model; instead they require a multiple-process source model. Our study emphasizes the importance of characterizing uncertainties for full moment tensors, and it provides strong support for isotropic events at Uturuncu volcano.

Comparative stereodynamics in molecule-atom and molecule-molecule rotational energy transfer: NO(A{sup 2}Σ{sup +}) + He and D{sub 2}

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

Luxford, Thomas F. M.; Sharples, Thomas R.; McKendrick, Kenneth G.

2016-08-28

We present a crossed molecular beam scattering study, using velocity-map ion-imaging detection, of state-to-state rotational energy transfer for NO(A{sup 2}Σ{sup +}) in collisions with the kinematically identical colliders He and D{sub 2}. We report differential cross sections and angle-resolved rotational angular momentum polarization moments for transfer of NO(A, v = 0, N = 0, j = 0.5) to NO(A, v = 0, N′ = 3, 5-12) in collisions with He and D{sub 2} at respective average collision energies of 670 cm{sup −1} and 663 cm{sup −1}. Quantum scattering calculations on a literature ab initio potential energy surface for NO(A)-He [J.more » Kłos et al., J. Chem. Phys. 129, 244303 (2008)] yield near-quantitative agreement with the experimental differential scattering cross sections and good agreement with the rotational polarization moments. This confirms that the Kłos et al. potential is accurate within the experimental collisional energy range. Comparison of the experimental results for NO(A) + D{sub 2} and He collisions provides information on the hitherto unknown NO(A)-D{sub 2} potential energy surface. The similarities in the measured scattering dynamics of NO(A) imply that the general form of the NO(A)-D{sub 2} potential must be similar to that calculated for NO(A)-He. A consistent trend for the rotational rainbow maximum in the differential cross sections for NO(A) + D{sub 2} to peak at more forward angles than those for NO(A) + He is consistent with the NO(A)-D{sub 2} potential being more anisotropic with respect to NO(A) orientation. No evidence is found in the experimental measurements for coincident rotational excitation of the D{sub 2}, consistent with the potential having low anisotropy with respect to D{sub 2}. The NO(A) + He polarization moments deviate systematically from the predictions of a hard-shell, kinematic-apse scattering model, with larger deviations as N′ increases, which we attribute to the shallow gradient of the anisotropic repulsive NO(A)-He potential energy surface.« less

Spectromicroscopy study of interfacial Co/NiO(001)

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

van der Laan, Gerrit; Telling, Neil; Potenza, Alberto

2010-09-26

Photoemission electron microscopy (PEEM) with linearly polarized x-rays is used to determine the orientation of antiferromagnetic domains by monitoring the relative peak intensities at the 3d transition metal L{sub 2} absorption edge. In such an analysis the orientations of the x-ray polarization E and magnetization H with respect to the crystalline axes has to be taken into account. We address this problem by presenting a general expression of the angular dependence for both x-ray absorption spectroscopy and x-ray magnetic linear dichroism (XMLD) for arbitrary direction of E and H in the (001) cubic plane. In cubic symmetry the angular dependentmore » XMLD is a linear combination of two spectra with different photon energy dependence, which reduces to one spectrum when E or H is along a high-symmetry axis. The angular dependent XMLD can be separated into an isotropic term, which is symmetric along H, and an anisotropic term, which depends on the orientation of the crystal axes. The anisotropic term has maximal intensity when E and H have equal but opposite angles with respect to the [100] direction. The Ni{sup 2+} L{sub 2} edge has the peculiarity that the isotropic term vanishes, which means that the maximum in the XMLD intensity is observed not only for E {parallel} H {parallel} [100] but also for (E {parallel} [110], H {parallel} [110]). We apply the angular dependent theory to determine the spin orientation near the Co/NiO(100) interface. The PEEM images show that the ferromagnetic Co moments and antiferromagnetic NiO moments are aligned perpendicular to each other. By rotating the sample with respect to the linear x-ray polarization we furthermore find that the perpendicular coupling with the ferromagnetic Co layer at the interface causes a canting of the antiferromagnetic Ni moments. This shows that taking into account the angular dependence of the XMLD in the detailed analysis of PEEM images leads to an accurate retrieval of the spin axes of the antiferromagnetic domains.« less

Focal Mechanisms From Moment Tensor Solutions and First Motion Polarities of Shallow to Deep Local Earthquakes in Eastern Nepal and Southern Tibet

NASA Astrophysics Data System (ADS)

de La Torre, T. L.; Sheehan, A. F.; Monsalve, G.; Wu, F.

2004-12-01

We determined focal mechanisms using waveforms and first motion polarities from local earthquakes recorded during the Himalayan Nepal Tibet Seismic Experiment (HIMNT). The HIMNT experiment included the deployment of 28 broad band seismometers in eastern Nepal and southern Tibet from September 2001 to April 2003. Using a regional moment tensor method (Ammon and Randall, 2001) and first motion polarities for displaying double-couple focal mechanisms (Snokes, 2003), we analyzed the fault plane solutions at three distinct zones of seismicity. Characteristic focal mechanisms in seismically concentrated areas may indicate the presence of fault ramps or a decollement in the Himalayan collision zone. Previous studies of focal mechanisms on the Tibetan Plateau predominantly indicate east-west extension and shallow thrusting at the Himalayan collision zone for shallow to intermediate earthquakes (Ni and Barazangi, 1984; Molnar and Lyon-Caen, 1989; Randall et al., 1995) and east-west extension for intermediate to deep earthquakes (Zhu and Helmberger, 1996; Chen and Yang, 2004). The first zone in southeast Nepal between the Main Boundary and Main Frontal faults consist of earthquakes < Mw 4.0 at depths 40 - 60 km near the epicenter of the 1988 Udaypur earthquake, Mb 6.1, depth 57 km. The second zone north of the Main Central Thrust outcrop in eastern Nepal consists of 14 earthquakes 3.0 - 5.0 Mw at depths < 30 km that indicate north-south strike normal faulting and east-west strike thrust faulting. The third zone is an arc parallel to the Himalayas in southern Tibet and a cluster in northeast Nepal. This zone consists of 45 earthquakes < 4.0 Mw at depths > 50 km. Four earthquakes indicate northwest-southeast compression resulting in northeast strike strike-slip faulting while one earthquake in the northeast cluster indicates east-west compression at a source depth below the crust-mantle boundary. Focal mechanisms from full waveform moment tensor inversions are cross checked with first motion solutions for selected events. Source depths as determined from normalized error of the sum of the squared differences between the data and synthetic seismogram coincide with the source depths determined from the travel time residual inversion.

Inclined Pulsar Magnetospheres in General Relativity: Polar Caps for the Dipole, Quadrudipole, and Beyond

NASA Astrophysics Data System (ADS)

Gralla, Samuel E.; Lupsasca, Alexandru; Philippov, Alexander

2017-12-01

In the canonical model of a pulsar, rotational energy is transmitted through the surrounding plasma via two electrical circuits, each connecting to the star over a small region known as a “polar cap.” For a dipole-magnetized star, the polar caps coincide with the magnetic poles (hence the name), but in general, they can occur at any place and take any shape. In light of their crucial importance to most models of pulsar emission (from radio to X-ray to wind), we develop a general technique for determining polar cap properties. We consider a perfectly conducting star surrounded by a force-free magnetosphere and include the effects of general relativity. Using a combined numerical-analytical technique that leverages the rotation rate as a small parameter, we derive a general analytic formula for the polar cap shape and charge-current distribution as a function of the stellar mass, radius, rotation rate, moment of inertia, and magnetic field. We present results for dipole and quadrudipole fields (superposed dipole and quadrupole) inclined relative to the axis of rotation. The inclined dipole polar cap results are the first to include general relativity, and they confirm its essential role in the pulsar problem. The quadrudipole pulsar illustrates the phenomenon of thin annular polar caps. More generally, our method lays a foundation for detailed modeling of pulsar emission with realistic magnetic fields.

Fluctuations of local electric field and dipole moments in water between metal walls.

PubMed

Takae, Kyohei; Onuki, Akira

2015-10-21

We examine the thermal fluctuations of the local electric field Ek (loc) and the dipole moment μk in liquid water at T = 298 K between metal walls in electric field applied in the perpendicular direction. We use analytic theory and molecular dynamics simulation. In this situation, there is a global electrostatic coupling between the surface charges on the walls and the polarization in the bulk. Then, the correlation function of the polarization density pz(r) along the applied field contains a homogeneous part inversely proportional to the cell volume V. Accounting for the long-range dipolar interaction, we derive the Kirkwood-Fröhlich formula for the polarization fluctuations when the specimen volume v is much smaller than V. However, for not small v/V, the homogeneous part comes into play in dielectric relations. We also calculate the distribution of Ek (loc) in applied field. As a unique feature of water, its magnitude |Ek (loc)| obeys a Gaussian distribution with a large mean value E0 ≅ 17 V/nm, which arises mainly from the surrounding hydrogen-bonded molecules. Since |μk|E0 ∼ 30kBT, μk becomes mostly parallel to Ek (loc). As a result, the orientation distributions of these two vectors nearly coincide, assuming the classical exponential form. In dynamics, the component of μk(t) parallel to Ek (loc)(t) changes on the time scale of the hydrogen bonds ∼5 ps, while its smaller perpendicular component undergoes librational motions on time scales of 0.01 ps.

Sagittal plane bending moments acting on the lower leg during running.

PubMed

Haris Phuah, Affendi; Schache, Anthony G; Crossley, Kay M; Wrigley, Tim V; Creaby, Mark W

2010-02-01

Sagittal bending moments acting on the lower leg during running may play a role in tibial stress fracture development. The purpose of this study was to evaluate these moments at nine equidistant points along the length of the lower leg (10% point-90% point) during running. Kinematic and ground reaction force data were collected for 20 male runners, who each performed 10 running trials. Inverse dynamics and musculoskeletal modelling techniques were used to estimate sagittal bending moments due to reaction forces and muscle contraction. The muscle moment was typically positive during stance, except at the most proximal location (10% point) on the lower leg. The reaction moment was predominantly negative throughout stance and greater in magnitude than the muscle moment. Hence, the net sagittal bending moment acting on the lower leg was principally negative (indicating tensile loads on the posterior tibia). Peak moments typically occurred around mid-stance, and were greater in magnitude at the distal, compared with proximal, lower leg. For example, the peak reaction moment at the most distal point was -9.61+ or - 2.07%Bw.Ht., and -2.73 + or - 1.18%Bw.Ht. at the most proximal point. These data suggest that tensile loads on the posterior tibia are likely to be higher toward the distal end of the bone. This finding may explain the higher incidence of stress fracture in the distal aspect of the tibia, observed by some authors. Stress fracture susceptibility will also be influenced by bone strength and this should also be accounted for in future studies. Copyright 2009 Elsevier B.V. All rights reserved.

Knee joint moments during high flexion movements: Timing of peak moments and the effect of safety footwear.

PubMed

Chong, Helen C; Tennant, Liana M; Kingston, David C; Acker, Stacey M

2017-03-01

(1) Characterize knee joint moments and peak knee flexion moment timing during kneeling transitions, with the intent of identifying high-risk postures. (2) Determine whether safety footwear worn by kneeling workers (construction workers, tile setters, masons, roofers) alters high flexion kneeling mechanics. Fifteen males performed high flexion kneeling transitions. Kinetics and kinematics were analyzed for differences in ascent and descent in the lead and trail legs. Mean±standard deviation peak external knee adduction and flexion moments during transitions ranged from 1.01±0.31 to 2.04±0.66% body weight times height (BW∗Ht) and from 3.33 to 12.6% BW∗Ht respectively. The lead leg experienced significantly higher adduction moments compared to the trail leg during descent, when work boots were worn (interaction, p=0.005). There was a main effect of leg (higher lead vs. trail) on the internal rotation moment in both descent (p=0.0119) and ascent (p=0.0129) phases. Peak external knee adduction moments during transitions did not exceed those exhibited during level walking, thus increased knee adduction moment magnitude is likely not a main factor in the development of knee OA in occupational kneelers. Additionally, work boots only significantly increased the adduction moment in the lead leg during descent. In cases where one knee is painful, diseased, or injured, the unaffected knee should be used as the lead leg during asymmetric bilateral kneeling. Peak flexion moments occurred at flexion angles above the maximum flexion angle exhibited during walking (approximately 60°), supporting the theory that the loading of atypical surfaces may aid disease development or progression. Copyright © 2016 Elsevier B.V. All rights reserved.

Wind-Tunnel Investigation of the Effect of Angle of Attack and Flapping-Hinge Offset on Periodic Bending Moments and Flapping of a Small Rotor

NASA Technical Reports Server (NTRS)

McCarty, John Locke; Brooks, George W.; Maglieri, Domenic J.

1959-01-01

A two-blade rotor having a diameter of 4 feet and a solidity of 0.037 was tested in the Langley 300-MPH 7- by 10-foot tunnel to obtain information on the effect of certain rotor variables on the blade periodic bending moments and flapping angles during the various stages of transformation between the helicopter and autogiro configuration. Variables studied included collective pitch angle, flapping-hinge offset, rotor angle of attack, and tip-speed ratio. The results show that the blade periodic bending moments generally increase with tip-speed ratio up into the transition region, diminish over a certain range of tip-speed ratio, and increase again at higher tip-speed ratios. Above the transition region, the bending moments increase with collective pitch angle and rotor angle of attack. The absence of a flapping hinge results in a significant amplification of the periodic bending moments, the magnitudes of which increase with tip-speed ratio. When the flapping hinge is used, an increase in flapping-hinge offset results in reduced period bending moments. The aforementioned trends exhibited by the bending moments for changes in the variables are essentially duplicated by the periodic flapping motions. The existence of substantial amounts of blade stall increased both the periodic bending moments and the flapping angles. Harmonic analysis of the bending moments shows significant contributions of the higher harmonics, particularly in the transition region.

Moment distributions of clusters and molecules in the adiabatic rotor model

NASA Astrophysics Data System (ADS)

Ballentine, G. E.; Bertsch, G. F.; Onishi, N.; Yabana, K.

2008-01-01

We present a Fortran program to compute the distribution of dipole moments of free particles for use in analyzing molecular beams experiments that measure moments by deflection in an inhomogeneous field. The theory is the same for magnetic and electric dipole moments, and is based on a thermal ensemble of classical particles that are free to rotate and that have moment vectors aligned along a principal axis of rotation. The theory has two parameters, the ratio of the magnetic (or electric) dipole energy to the thermal energy, and the ratio of moments of inertia of the rotor. Program summaryProgram title:AdiabaticRotor Catalogue identifier:ADZO_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZO_v1_0.html Program obtainable from:CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions:Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.:479 No. of bytes in distributed program, including test data, etc.:4853 Distribution format:tar.gz Programming language:Fortran 90 Computer:Pentium-IV, Macintosh Power PC G4 Operating system:Linux, Mac OS X RAM:600 Kbytes Word size:64 bits Classification:2.3 Nature of problem:The system considered is a thermal ensemble of rotors having a magnetic or electric moment aligned along one of the principal axes. The ensemble is placed in an external field which is turned on adiabatically. The problem is to find the distribution of moments in the presence of the external field. Solution method:There are three adiabatic invariants. The only nontrivial one is the action associated with the polar angle of the rotor axis with respect to external field. It is found by Newton's method. Running time:3 min on a 3 GHz Pentium IV processor.

Target and double spin asymmetries of deeply virtual π0 production with a longitudinally polarized proton target and CLAS

NASA Astrophysics Data System (ADS)

Kim, A.; Avakian, H.; Burkert, V.; Joo, K.; Kim, W.; Adhikari, K. P.; Akbar, Z.; Anefalos Pereira, S.; Badui, R. A.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Boiarinov, S.; Bosted, P.; Briscoe, W. J.; Brooks, W. K.; Bültmann, S.; Cao, T.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Chetry, T.; Colaneri, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Cortes, O.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Djalali, C.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fedotov, G.; Fersch, R.; Filippi, A.; Fleming, J. A.; Fradi, A.; Garc con, M.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guo, L.; Hafidi, K.; Hanretty, C.; Hattawy, M.; Heddle, D.; Hicks, K.; Holtrop, M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joosten, S.; Keller, D.; Khachatryan, G.; Khandaker, M.; Klein, A.; Klein, F. J.; Kubarovsky, V.; Kuhn, S. E.; Kuleshov, S. V.; Lanza, L.; Lenisa, P.; Lu, H. Y.; MacGregor, I. J. D.; Markov, N.; Mattione, P.; McCracken, M. E.; McKinnon, B.; Mokeev, V.; Movsisyan, A.; Munevar, E.; Nadel-Turonski, P.; Net, L. A.; Niccolai, S.; Osipenko, M.; Ostrovidov, A. I.; Paolone, M.; Park, K.; Pasyuk, E.; Phelps, W.; Pisano, S.; Pogorelko, O.; Price, J. W.; Prok, Y.; Ripani, M.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Salgado, C.; Schumacher, R. A.; Seder, E.; Sharabian, Y. G.; Skorodumina, Iu.; Smith, G. D.; Sokhan, D.; Sparveris, N.; Stepanyan, S.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Sytnik, V.; Taiuti, M.; Torayev, B.; Ungaro, M.; Voskanyan, H.; Voutier, E.; Watts, D. P.; Wei, X.; Weinstein, L. B.; Zachariou, N.; Zana, L.; Zhang, J.

2017-05-01

The target and double spin asymmetries of the exclusive pseudoscalar channel e → p → → epπ0 were measured for the first time in the deep-inelastic regime using a longitudinally polarized 5.9 GeV electron beam and a longitudinally polarized proton target at Jefferson Lab with the CEBAF Large Acceptance Spectrometer (CLAS). The data were collected over a large kinematic phase space and divided into 110 four-dimensional bins of Q2, xB, -t and ϕ. Large values of asymmetry moments clearly indicate a substantial contribution to the polarized structure functions from transverse virtual photon amplitudes. The interpretation of experimental data in terms of generalized parton distributions (GPDs) provides the first insight on the chiral-odd GPDs H˜T and ET, and complement previous measurements of unpolarized structure functions sensitive to the GPDs HT and EbarT. These data provide a crucial input for parametrizations of essentially unknown chiral-odd GPDs and will strongly influence existing theoretical calculations based on the handbag formalism.

Early Results from the First Year of Observations by the Atacama B-mode Search (ABS)

NASA Astrophysics Data System (ADS)

Simon, Sara M.; ABS Collaboration

2013-06-01

The Atacama B-mode Search (ABS) instrument, which began observation in February of 2012, is a crossed-Dragone telescope located at an elevation of 5100 m in the Atacama Desert in Chile. The primary scientific goal of ABS is to measure the B-mode polarization spectrum of the Cosmic Microwave Background (CMB) from multipole moments of about l=50 to l=500, a range that includes the primordial B-mode peak. Unlike most current polarization experiments, ABS features a cryogenic telescope and a warm half-wave plate used to modulate the polarization of the incoming light. The ABS focal plane array consists of 240 pixels designed for observation at 150 GHz by the TRUCE collaboration. Each pixel has its own individual, single-moded feedhorn and contains two transition-edge sensor (TES) bolometers sensitive to orthogonal polarizations. The detectors are read out using time domain multiplexing so that the thermal loading of the readout electronics does not heat the focal plane. I will present early results from the first year of ABS data.

Transmittance tuning by particle chain polarization in electrowetting-driven droplets

PubMed Central

Fan, Shih-Kang; Chiu, Cheng-Pu; Huang, Po-Wen

2010-01-01

A tiny droplet containing nano∕microparticles commonly handled in digital microfluidic lab-on-a-chip is regarded as a micro-optical component with tunable transmittance at programmable positions for the application of micro-opto-fluidic-systems. Cross-scale electric manipulations of droplets on a millimeter scale as well as suspended particles on a micrometer scale are demonstrated by electrowetting-on-dielectric (EWOD) and particle chain polarization, respectively. By applying electric fields at proper frequency ranges, EWOD and polarization can be selectively achieved in designed and fabricated parallel plate devices. At low frequencies, the applied signal generates EWOD to pump suspension droplets. The evenly dispersed particles reflect and∕or absorb the incident light to exhibit a reflective or dark droplet. When sufficiently high frequencies are used on to the nonsegmented parallel electrodes, a uniform electric field is established across the liquid to polarize the dispersed neutral particles. The induced dipole moments attract the particles each other to form particle chains and increase the transmittance of the suspension, demonstrating a transmissive or bright droplet. In addition, the reflectance of the droplet is measured at various frequencies with different amplitudes. PMID:21267088

Study of scattering from turbulence structure generated by propeller with FLUENT

NASA Astrophysics Data System (ADS)

Luo, Gen

2017-07-01

In this article, the turbulence structure generated by a propeller is simulated with the computational fluid dynamics (CFD) software FLUENT. With the method of moments, the backscattering radar cross sections (RCS) of the turbulence structure are calculated. The scattering results can reflect the turbulent intensity of the wave profiles. For the wake turbulence with low rotating speed, the scattering intensity of HH polarization is much smaller than VV polarization at large incident angles. When the turbulence becomes stronger with high rotating speed, the scattering intensity of HH polarization also becomes stronger at large incident angles, which is almost the same with VV polarization. And also, the bistatic scattering of the turbulence structure has the similar situation. These scattering results indicate that the turbulence structure can also give rise to an anomaly compared with traditional sea surface. The study of electromagnetic (EM) scattering from turbulence structure generated by the propeller can help in better understanding of the scattering from different kinds of waves and provide more bases to explain the anomalies of EM scattering from sea surfaces.

Target and double spin asymmetries of deeply virtual π 0 production with a longitudinally polarized proton target and CLAS

DOE PAGES

Kim, A.; Avakian, H.; Burkert, V.; ...

2017-02-22

The target and double spin asymmetries of the exclusive pseudoscalar channelmore » $$\\vec e\\vec p\\to ep\\pi^0$$ were measured for the first time in the deep-inelastic regime using a longitudinally polarized 5.9 GeV electron beam and a longitudinally polarized proton target at Jefferson Lab with the CEBAF Large Acceptance Spectrometer (CLAS). The data were collected over a large kinematic phase space and divided into 110 four-dimensional bins of $Q^2$, $$x_B$$, $-t$ and $$\\phi$$. Large values of asymmetry moments clearly indicate a substantial contribution to the polarized structure functions from transverse virtual photon amplitudes. The interpretation of experimental data in terms of generalized parton distributions (GPDs) provides the first insight on the chiral-odd GPDs $$\\tilde{H}_T$$ and $$E_T$$, and complement previous measurements of unpolarized structure functions sensitive to the GPDs $$H_T$$ and $$\\bar E_T$$. Finally, these data provide necessary constraints for chiral-odd GPD parametrizations and will strongly influence existing theoretical handbag models.« less

Model-independent analysis of the orientation of fluorescent probes with restricted mobility in muscle fibers.

PubMed Central

Dale, R E; Hopkins, S C; an der Heide, U A; Marszałek, T; Irving, M; Goldman, Y E

1999-01-01

The orientation of proteins in ordered biological samples can be investigated using steady-state polarized fluorescence from probes conjugated to the protein. A general limitation of this approach is that the probes typically exhibit rapid orientational motion ("wobble") with respect to the protein backbone. Here we present a method for characterizing the extent of this wobble and for removing its effects from the available information about the static orientational distribution of the probes. The analysis depends on four assumptions: 1) the probe wobble is fast compared with the nanosecond time scale of its excited-state decay; 2) the orientational distributions of the absorption and emission transition dipole moments are cylindrically symmetrical about a common axis c fixed in the protein; 3) protein motions are negligible during the excited-state decay; 4) the distribution of c is cylindrically symmetrical about the director of the experimental sample. In a muscle fiber, the director is the fiber axis, F. All of the information on the orientational order of the probe that is available from measurements of linearly polarized fluorescence is contained in five independent polarized fluorescence intensities measured with excitation and emission polarizers parallel or perpendicular to F and with the propagation axis of the detected fluorescence parallel or perpendicular to that of the excitation. The analysis then yields the average second-rank and fourth-rank order parameters ( and ) of the angular distribution of c relative to F, and and , the average second-rank order parameters of the angular distribution for wobble of the absorption and emission transition dipole moments relative to c. The method can also be applied to other cylindrically ordered systems such as oriented lipid bilayer membranes and to processes slower than fluorescence that may be observed using longer-lived optically excited states. PMID:10049341

Degree of Response to Homeopathic Potencies Correlates with Dipole Moment Size in Molecular Detectors: Implications for Understanding the Fundamental Nature of Serially Diluted and Succussed Solutions.

PubMed

Cartwright, Steven J

2018-02-01

 The use of solvatochromic dyes to investigate homeopathic potencies holds out the promise of understanding the nature of serially succussed and diluted solutions at a fundamental physicochemical level. Recent studies have shown that a range of different dyes interact with potencies and, moreover, the nature of the interaction is beginning to allow certain specific characteristics of potencies to be delineated.  The study reported in this article takes previous investigations further and aims to understand more about the nature of the interaction between potencies and solvatochromic dyes. To this end, the UV-visible spectra of a wide range of potential detectors of potencies have been examined using methodologies previously described.  Results presented demonstrate that solvatochromic dyes are a sub-group of a larger class of compounds capable of demonstrating interactions with potencies. In particular, amino acids containing an aromatic bridge also show marked optical changes in the presence of potencies. Several specific features of molecular detectors can now be shown to be necessary for significant interactions with homeopathic potencies. These include systems with a large dipole moment, electron delocalisation, polarizability and molecular rigidity.  Analysis of the optical changes occurring on interaction with potencies suggests that in all cases potencies increase the polarity of molecular detectors to a degree that correlates with the size of the compound's permanent or ground dipole moment. These results can be explained by inferring that potencies themselves have polarity. Possible candidates for the identity of potencies, based on these and previously reported results, are discussed. The Faculty of Homeopathy.

Element-specific study of the temperature dependent magnetization of Co-Mn-Sb thin films

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

Schmalhorst, J.; Ebke, D.; Meinert, M.

Magnetron sputtered thin Co-Mn-Sb films were investigated with respect to their element-specific magnetic properties. Stoichiometric Co{sub 1}Mn{sub 1}Sb{sub 1} crystallized in the C1{sub b} structure has been predicted to be half-metallic and is therefore of interest for spintronics applications. It should show a characteristic antiferromagnetic coupling of the Mn and Co magnetic moments and a transition temperature T{sub C} of about 480K. Although the observed transition temperature of our 20nm thick Co{sub 32.4}Mn{sub 33.7}Sb{sub 33.8}, Co{sub 37.7}Mn{sub 34.1}Sb{sub 28.2} and Co{sub 43.2}Mn{sub 32.6}Sb{sub 24.2} films is in quite good agreement with the expected value, we found a ferromagnetic coupling ofmore » the Mn and Co magnetic moments which indicates that the films do not crystallize in the C1{sub b} structure and are probably not fully spin-polarized. The ratio of the Co and Mn moments does not change up to the transition temperature and the temperature dependence of the magnetic moments can be well described by the mean field theory.« less

Effect of magnetic fullerene on magnetization reversal created at the Fe/C60 interface.

PubMed

Mallik, Srijani; Mattauch, Stefan; Dalai, Manas Kumar; Brückel, Thomas; Bedanta, Subhankar

2018-04-03

Probing the hybridized magnetic interface between organic semiconductor (OSC) and ferromagnetic (FM) layers has drawn significant attention in recent years because of their potential in spintronic applications. Recent studies demonstrate various aspects of organic spintronics such as magnetoresistance, induced interface moment etc. However, not much work has been performed to investigate the implications of such OSC/FM interfaces on the magnetization reversal and domain structure which are the utmost requirements for any applications. Here, we show that non-magnetic Fullerene can obtain non-negligible magnetic moment at the interface of Fe(15 nm)/C 60 (40 nm) bilayer. This leads to substantial effect on both the magnetic domain structure as well as the magnetization reversal when compared to a single layer of Fe(15 nm). This is corroborated by the polarized neutron reflectivity (PNR) data which indicates presence of hybridization at the interface by the reduction of magnetic moment in Fe. Afterwards, upto 1.9 nm of C 60 near the interface exhibits magnetic moment. From the PNR measurements it was found that the magnetic C 60 layer prefers to be aligned anti-parallel with the Fe layer at the remanant state. The later observation has been confirmed by domain imaging via magneto-optic Kerr microscopy.

Comparison of Ball-And-Racket Impact Force in Two-Handed Backhand Stroke Stances for Different-Skill-Level Tennis Players.

PubMed

Lo, Kuo-Cheng; Hsieh, Yung-Chun

2016-06-01

This study compared the kinetic roles of the upper extremities in racket impact force generation between the open stance (OS) and square stance (SS) for tennis players with different skill levels in two-handed backhand strokes. Twelve male tennis players were divided into an advanced group (AG) (L3-L2 skill level) and intermediate group (IG) (L7-L6 skill level), and their data were used in a three-dimensional kinetic analysis. Their motions were captured using 21 reflective markers attached to anatomic landmarks for two-handed backhand stroke motion data collection. During the acceleration phase, significant differences were not observed between both stances, but they were observed between the groups with different skill levels for the force of the upper extremities (p = 0.027). The joint forces were significantly lower in the AG than in the IG. Players performing the SS had significantly larger pronation and supination of the wrist joint moment than those in the OS (p = 0.032) during the acceleration phase, irrespective of the playing level. Higher internal rotation moment after impact was observed at each joint, particularly among young intermediate tennis players, regardless of their stance. The AG demonstrated a higher joint force and moment at every joint compared with the IG at impact. Moreover, the AG demonstrated superior stroke efficiency and effectively reduced joint moment after impact and sports injury. Key pointsAdvanced players, regardless of open stance or square stance, have larger joint force and moment at each joint before ball impact resulting in better stroke efficiency and reduced chance of injury.Intermediate players, regardless of stance, have higher internal rotation moment at each joint instead of larger joint force as compared to advanced players before ball impact. The higher internal rotation moment will induce higher joint impact force which makes the player injury-prone.Young intermediate tennis players may want to avoid excessive follow-through movement after ball impact to prevent injury in their early career.

Learning moment-based fast local binary descriptor

NASA Astrophysics Data System (ADS)

Bellarbi, Abdelkader; Zenati, Nadia; Otmane, Samir; Belghit, Hayet

2017-03-01

Recently, binary descriptors have attracted significant attention due to their speed and low memory consumption; however, using intensity differences to calculate the binary descriptive vector is not efficient enough. We propose an approach to binary description called POLAR_MOBIL, in which we perform binary tests between geometrical and statistical information using moments in the patch instead of the classical intensity binary test. In addition, we introduce a learning technique used to select an optimized set of binary tests with low correlation and high variance. This approach offers high distinctiveness against affine transformations and appearance changes. An extensive evaluation on well-known benchmark datasets reveals the robustness and the effectiveness of the proposed descriptor, as well as its good performance in terms of low computation complexity when compared with state-of-the-art real-time local descriptors.

High geomagnetic intensity during the mid-Cretaceous from Thellier analyses of single plagioclase crystals.

PubMed

Tarduno, J A; Cottrell, R D; Smirnov, A V

2001-03-02

Recent numerical simulations have yielded the most efficient geodynamo, having the largest dipole intensity when reversal frequency is low. Reliable paleointensity data are limited but heretofore have suggested that reversal frequency and paleointensity are decoupled. We report data from 56 Thellier-Thellier experiments on plagioclase crystals separated from basalts of the Rajmahal Traps (113 to 116 million years old) of India that formed during the Cretaceous Normal Polarity Superchron. These data suggest a time-averaged paleomagnetic dipole moment of 12.5 +/- 1.4 x 10(22) amperes per square meter, three times greater than mean Cenozoic and Early Cretaceous-Late Jurassic dipole moments when geomagnetic reversals were frequent. This result supports a correlation between intervals of low reversal frequency and high geomagnetic field strength.

Demonstration of sensitivity increase in mercury free-spin-precession magnetometers due to laser-based readout for neutron electric dipole moment searches

NASA Astrophysics Data System (ADS)

Ban, G.; Bison, G.; Bodek, K.; Daum, M.; Fertl, M.; Franke, B.; Grujić, Z. D.; Heil, W.; Horras, M.; Kasprzak, M.; Kermaidic, Y.; Kirch, K.; Koch, H.-C.; Komposch, S.; Kozela, A.; Krempel, J.; Lauss, B.; Lefort, T.; Mtchedlishvili, A.; Pignol, G.; Piegsa, F. M.; Prashanth, P.; Quéméner, G.; Rawlik, M.; Rebreyend, D.; Ries, D.; Roccia, S.; Rozpedzik, D.; Schmidt-Wellenburg, P.; Severijns, N.; Weis, A.; Wyszynski, G.; Zejma, J.; Zsigmond, G.

2018-07-01

We report on a laser based 199Hg co-magnetometer deployed in an experiment searching for a permanent electric dipole moment of the neutron. We demonstrate a more than five times increased signal to-noise-ratio in a direct comparison measurement with its 204Hg discharge bulb-based predecessor. An improved data model for the extraction of important system parameters such as the degrees of absorption and polarization is derived. Laser- and lamp-based data-sets can be consistently described by the improved model which permits to compare measurements using the two different light sources and to explain the increase in magnetometer performance. The laser-based magnetometer satisfies the magnetic field sensitivity requirements for the next generation nEDM experiments.

An Investigation of Aerosol Measurements from the Halogen Occultation Experiment: Validation, Size Distributions, Composition, and Relation to Other Chemical Species

NASA Technical Reports Server (NTRS)

Deshler, Terry; Hervig, Mark E.

1998-01-01

The efforts envisioned within the original proposal (accepted February 1994) and the extension of this proposal (accepted February 1997) included measurement validations, the retrieval of aerosol size distributions and distribution moments, aerosol correction studies, and investigations of polar stratospheric clouds. A majority of the results from this grant have been published. The principal results from this grant are discussed.

Interfering with the neutron spin

NASA Astrophysics Data System (ADS)

Wagh, Apoorva G.; Rakhecha, Veer Chand

2004-07-01

Charge neutrality, a spin frac{1}{2} and an associated magnetic moment of the neu- tron make it an ideal probe of quantal spinor evolutions. Polarized neutron interferometry in magnetic field Hamiltonians has thus scored several firsts such as direct verification of Pauli anticommutation, experimental separation of geometric and dynamical phases and observation of non-cyclic amplitudes and phases. This paper provides a flavour of the physics learnt from such experiments.

Piezoelectric and Electrostrictive Materials for Transducer Applications. Volume 2

DTIC Science & Technology

1991-01-31

field cooled (ZFC) state the structure of a relaxor appears cubic indicating that the scale of the polar behavior is smaller than the coherence length of...inhomogeneity. The glassy behavior is believed to arise due to competing interactions between magnetic moments resulting in a freezing of the magnetization...between ferromagnetic and antiferromagnetic exchanges (16,17). The FC state exhibits behavior resembling a normal ferromagnet below Tf, i.e

On the size-dependent magnetism and all-optical magnetization switching of transition-metal silicide nanostructures

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

Glushkov, G. I.; Tuchin, A. V.; Popov, S. V.

Theoretical investigations of the electronic structure, synthesis, and all-optical magnetization switching of transition-metal silicide nanostructures are reported. The magnetic moment of the nanostructures is studied as a function of the silicide cluster size and configuration. The experimentally demonstrated magnetization switching of nanostructured nickel silicide by circularly polarized light makes it possible to create high-speed storage devices with high density data recording.

Interaction of ACTN3 gene polymorphism and muscle imbalance effects on kinematic efficiency in combat sports athletes

PubMed Central

Lee, Namju; Park, Sok

2016-01-01

[Purpose] The purpose of this study was to determine the interaction of ACTN3 gene polymorphism and muscle imbalance effects on kinematic efficiency changes in combat sports athletes. [Methods] Six types of combat sports athletes (Judo, Taekwondo, boxing, kendo, wrestling, and Korean Ssi-reum) participated in the study. ATCN3 gene polymorphism and muscle imbalance in lower extremity were evaluated followed by analysis of differences of moment in hip, knee, and ankle joint during V-cut jumping and stop. To examine the moment difference due to an interaction of ATCN3 polymorphism and muscle imbalance, all participants were divided into 4 groups (R+MB, R+MIB, X+MB, and X+MIB). [Results] There was no significant difference of hip, knee, and ankle joint moment in R allele and X allele during V-cut jumping and stop based on ACTN3 gene polymorphism. Otherwise, muscle imbalance of knee moment in X-axis and ground reaction force of knee in Z-axis showed a higher significance in muscle imbalance during V-cut jumping and stop compared to muscle balance (p<0.05). In addition, joint analysis showed that muscle imbalance in X allele group had significantly higher knee moment of V-cut ground reaction force in X-axis and higher ankle moment of jumping ground reaction force in X and Z-axis compared to muscle balance with R and/or X group (p <0.05). [Conclusion] This study confirmed that muscle imbalance in lower extremity of combat athletes might induce higher risk factors of sports injury incidence than genetic factor and training might reduce the ratio of sports injury risk incidence. PMID:27508148

Interaction of ACTN3 gene polymorphism and muscle imbalance effects on kinematic efficiency in combat sports athletes.

PubMed

Jung, Hansang; Lee, Namju; Park, Sok

2016-06-01

The purpose of this study was to determine the interaction of ACTN3 gene polymorphism and muscle imbalance effects on kinematic efficiency changes in combat sports athletes. Six types of combat sports athletes (Judo, Taekwondo, boxing, kendo, wrestling, and Korean Ssi-reum) participated in the study. ATCN3 gene polymorphism and muscle imbalance in lower extremity were evaluated followed by analysis of differences of moment in hip, knee, and ankle joint during V-cut jumping and stop. To examine the moment difference due to an interaction of ATCN3 polymorphism and muscle imbalance, all participants were divided into 4 groups (R+MB, R+MIB, X+MB, and X+MIB). There was no significant difference of hip, knee, and ankle joint moment in R allele and X allele during V-cut jumping and stop based on ACTN3 gene polymorphism. Otherwise, muscle imbalance of knee moment in X-axis and ground reaction force of knee in Z-axis showed a higher significance in muscle imbalance during V-cut jumping and stop compared to muscle balance (p<0.05). In addition, joint analysis showed that muscle imbalance in X allele group had significantly higher knee moment of V-cut ground reaction force in X-axis and higher ankle moment of jumping ground reaction force in X and Z-axis compared to muscle balance with R and/or X group (p <0.05). This study confirmed that muscle imbalance in lower extremity of combat athletes might induce higher risk factors of sports injury incidence than genetic factor and training might reduce the ratio of sports injury risk incidence.

The effect of technique change on knee loads during sidestep cutting.

PubMed

Dempsey, Alasdair R; Lloyd, David G; Elliott, Bruce C; Steele, Julie R; Munro, Bridget J; Russo, Kylie A

2007-10-01

To identify the effect of modifying sidestep cutting technique on knee loads and predict what impact such change would have on the risk of noncontact anterior cruciate ligament injury. A force platform and motion-analysis system were used to record ground-reaction forces and track the trajectories of markers on 15 healthy males performing sidestep cutting tasks using their normal technique and nine different imposed techniques. A kinematic and inverse dynamic model was used to calculate the three-dimensional knee postures and moments. The imposed techniques of foot wide and torso leaning in the opposite direction to the cut resulted in increased peak valgus moments experienced in weight acceptance. Higher peak internal rotation moments were found for the foot wide and torso rotation in the opposite direction to the cut techniques. The foot rotated in technique resulted in lower mean flexion/extension moments, whereas the foot wide condition resulted in higher mean flexion/extension moments. The flexed knee, torso rotated in the opposite direction to the cut and torso leaning in the same direction as the cut techniques had significantly more knee flexion at heel strike. Sidestep cutting technique had a significant effect on loads experienced at the knee. The techniques that produced higher valgus and internal rotation moments at the knee, such as foot wide, torso leaning in the opposite direction to the cut and torso rotating in the opposite direction to the cut, may place an athlete at higher risk of injury because these knee loads have been shown to increase the strain on the anterior cruciate ligament. Training athletes to avoid such body positions may result in a reduced risk of noncontact anterior cruciate ligament injures.

Ground-state properties of rare-earth metals: an evaluation of density-functional theory.

PubMed

Söderlind, Per; Turchi, P E A; Landa, A; Lordi, V

2014-10-15

The rare-earth metals have important technological applications due to their magnetic properties, but are scarce and expensive. Development of high-performance magnetic materials with less rare-earth content is desired, but theoretical modeling is hampered by complexities of the rare earths electronic structure. The existence of correlated (atomic-like) 4f electrons in the vicinity of the valence band makes any first-principles theory challenging. Here, we apply and evaluate the efficacy of density-functional theory for the series of lanthanides (rare earths), investigating the influence of the electron exchange and correlation functional, spin-orbit interaction, and orbital polarization. As a reference, the results are compared with those of the so-called 'standard model' of the lanthanides in which electrons are constrained to occupy 4f core states with no hybridization with the valence electrons. Some comparisons are also made with models designed for strong electron correlations. Our results suggest that spin-orbit coupling and orbital polarization are important, particularly for the magnitude of the magnetic moments, and that calculated equilibrium volumes, bulk moduli, and magnetic moments show correct trends overall. However, the precision of the calculated properties is not at the level of that found for simpler metals in the Periodic Table of Elements, and the electronic structures do not accurately reproduce x-ray photoemission spectra.

A Hybrid Strategy for the Lattice Evaluation of the Leading Order Hadronic Contribution to (g - 2)μ

NASA Astrophysics Data System (ADS)

Golterman, Maarten; Maltman, Kim; Peris, Santiago

2016-04-01

The leading-order hadronic contribution to the muon anomalous magentic moment, aμLO,HVP, can be expressed as an integral over Euclidean Q2 of the vacuum polarization function. We point out that a simple trapezoid-rule numerical integration of the current lattice data is good enough to produce a result with a less-than-1% error for the contribution from the interval above Q2 ≳ 0.1 - 0.2GeV2. This leaves the interval below this value of Q2 as the one to focus on in the future. In order to achieve an accurate result also in this lower window Q2 ≲ 0.1 - 0.2GeV2, we indicate the usefulness of three possible tools. These are: Padé Approximants, polynomials in a conformal variable and a NNLO Chiral Perturbation Theory representation supplemented by a Q4 term. The combination of the numerical integration in the upper Q2 interval together with the use of these tools in the lower Q2 interval provides a hybrid strategy which looks promising as a means of reaching the desired goal on the lattice of a sub-percent precision in the hadronic vacuum polarization contribution to the muon anomalous magnetic moment.

Exact-exchange spin-density functional theory of Wigner localization and phase transitions in quantum rings.

PubMed

Arnold, Thorsten; Siegmund, Marc; Pankratov, Oleg

2011-08-24

We apply exact-exchange spin-density functional theory in the Krieger-Li-Iafrate approximation to interacting electrons in quantum rings of different widths. The rings are threaded by a magnetic flux that induces a persistent current. A weak space and spin symmetry breaking potential is introduced to allow for localized solutions. As the electron-electron interaction strength described by the dimensionless parameter r(S) is increased, we observe-at a fixed spin magnetic moment-the subsequent transition of both spin sub-systems from the Fermi liquid to the Wigner crystal state. A dramatic signature of Wigner crystallization is that the persistent current drops sharply with increasing r(S). We observe simultaneously the emergence of pronounced oscillations in the spin-resolved densities and in the electron localization functions indicating a spatial electron localization showing ferrimagnetic order after both spin sub-systems have undergone the Wigner crystallization. The critical r(S)(c) at the transition point is substantially smaller than in a fully spin-polarized system and decreases further with decreasing ring width. Relaxing the constraint of a fixed spin magnetic moment, we find that on increasing r(S) the stable phase changes from an unpolarized Fermi liquid to an antiferromagnetic Wigner crystal and finally to a fully polarized Fermi liquid. © 2011 IOP Publishing Ltd

Controlling entangled spin-orbit coupling of 5 d states with interfacial heterostructure engineering

DOE PAGES

Kim, J. -W.; Choi, Y.; Chun, S. H.; ...

2018-03-26

Here, the combination of strong electron correlations in 3d transition metal oxides and spin-orbit interactions in the 5d counterpart can give rise to exotic electronic and magnetic properties. Here, the nature of emerging phenomena at the interface between SrIrO 3 (SIO) and La 2/3Sr 1/3MnO 3 (LSMO) is presented. Nominally, SIO with strong spin-orbit interaction is metallic and nonmagnetic on the verge of a metal-insulator transition, whereas LSMO is metallic and ferromagnetic with itinerant character and high spin polarization. In the 1:1 LSMO/SIO superlattice, we observe ferromagnetic Mn moments with an insulating behavior, accompanied by antiferromagnetic ordering in SIO. Element-resolvedmore » x-ray magnetic circular dichroism proves that there is a weak net ferromagnetic Ir moment aligned antiparallel to the Mn counterpart. The branching ratio shows the formation of molecular-orbitals between the Mn and Ir layers modifying the Ir 5d electronic configuration through the mixture of t 2g and e g states, resulting in a deviation from J eff = ½. This result demonstrates a pathway to manipulate the spin-orbit entanglement in 5d states with 2-dimensional 3d spin-polarized electrons through heterostructure design.« less

Controlling entangled spin-orbit coupling of 5 d states with interfacial heterostructure engineering

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

Kim, J. -W.; Choi, Y.; Chun, S. H.

Here, the combination of strong electron correlations in 3d transition metal oxides and spin-orbit interactions in the 5d counterpart can give rise to exotic electronic and magnetic properties. Here, the nature of emerging phenomena at the interface between SrIrO 3 (SIO) and La 2/3Sr 1/3MnO 3 (LSMO) is presented. Nominally, SIO with strong spin-orbit interaction is metallic and nonmagnetic on the verge of a metal-insulator transition, whereas LSMO is metallic and ferromagnetic with itinerant character and high spin polarization. In the 1:1 LSMO/SIO superlattice, we observe ferromagnetic Mn moments with an insulating behavior, accompanied by antiferromagnetic ordering in SIO. Element-resolvedmore » x-ray magnetic circular dichroism proves that there is a weak net ferromagnetic Ir moment aligned antiparallel to the Mn counterpart. The branching ratio shows the formation of molecular-orbitals between the Mn and Ir layers modifying the Ir 5d electronic configuration through the mixture of t 2g and e g states, resulting in a deviation from J eff = ½. This result demonstrates a pathway to manipulate the spin-orbit entanglement in 5d states with 2-dimensional 3d spin-polarized electrons through heterostructure design.« less

Controlling entangled spin-orbit coupling of 5 d states with interfacial heterostructure engineering

NASA Astrophysics Data System (ADS)

Kim, J.-W.; Choi, Y.; Chun, S. H.; Haskel, D.; Yi, D.; Ramesh, R.; Liu, J.; Ryan, P. J.

2018-03-01

The combination of strong electron correlations in 3 d transition-metal oxides and spin-orbit interactions in the 5 d counterpart can give rise to exotic electronic and magnetic properties. Here, the nature of emerging phenomena at the interface between SrIr O3 (SIO) and L a2 /3S r1 /3Mn O3 (LSMO) is presented. Nominally, SIO with strong spin-orbit interaction is metallic and nonmagnetic on the verge of a metal-insulator transition, whereas LSMO is metallic and ferromagnetic with itinerant character and high spin polarization. In the 1:1 LSMO/SIO superlattice, we observe ferromagnetic Mn moments with an insulating behavior, accompanied by antiferromagnetic ordering in SIO. Element-resolved x-ray magnetic circular dichroism proves that there is a weak net ferromagnetic Ir moment aligned antiparallel to the Mn counterpart. The branching ratio shows the formation of molecular orbitals between the Mn and Ir layers modifying the Ir 5 d electronic configuration through the mixture of t2 g and eg states, resulting in a deviation from Jeff=1 /2 . This result demonstrates a pathway to manipulate the spin-orbit entanglement in 5 d states with two-dimensional 3 d spin-polarized electrons through heterostructure design.

Electronic-structure calculations of praseodymium metal by means of modified density-functional theory

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

Svane, A.; Trygg, J.; Johansson, B.

1997-09-01

Electronic-structure calculations of elemental praseodymium are presented. Several approximations are used to describe the Pr f electrons. It is found that the low-pressure, trivalent phase is well described using either the self-interaction corrected (SIC) local-spin-density (LSD) approximation or the generalized-gradient approximation (GGA) with spin and orbital polarization (OP). In the SIC-LSD approach the Pr f electrons are treated explicitly as localized with a localization energy given by the self-interaction of the f orbital. In the GGA+OP scheme the f-electron localization is described by the onset of spin and orbital polarization, the energetics of which is described by spin-moment formation energymore » and a term proportional to the total orbital moment, L{sub z}{sup 2}. The high-pressure phase is well described with the f electrons treated as band electrons, in either the LSD or the GGA approximations, of which the latter describes more accurately the experimental equation of state. The calculated pressure of the transition from localized to delocalized behavior is 280 kbar in the SIC-LSD approximation and 156 kbar in the GGA+OP approach, both comparing favorably with the experimentally observed transition pressure of 210 kbar. {copyright} {ital 1997} {ital The American Physical Society}« less

Electron transfer in silicon-bridged adjacent chromophores: the source for blue-green emission.

PubMed

Bayda, Malgorzata; Angulo, Gonzalo; Hug, Gordon L; Ludwiczak, Monika; Karolczak, Jerzy; Koput, Jacek; Dobkowski, Jacek; Marciniak, Bronislaw

2017-05-10

Si-Bridged chromophores have been proposed as sources for blue-green emission in several technological applications. The origin of this dual emission is to be found in an internal charge transfer reaction. The current work is an attempt to describe the details of these processes in these kinds of substances, and to design a molecular architecture to improve their performance. Nuclear motions essential for intramolecular charge transfer (ICT) can involve processes from twisted internal moieties to dielectric relaxation of the solvent. To address these issues, we studied ICT between adjacent chromophores in a molecular compound containing N-isopropylcarbazole (CBL) and 1,4-divinylbenzene (DVB) linked by a dimethylsilylene bridge. In nonpolar solvents emission arises from the local excited state (LE) of carbazole whereas in solvents of higher polarity dual emission was detected (LE + ICT). The CT character of the additional emission band was concluded from the linear dependence of the fluorescence maxima on solvent polarity. Electron transfer from CBL to DVB resulted in a large excited-state dipole moment (37.3 D) as determined from a solvatochromic plot and DFT calculations. Steady-state and picosecond time-resolved fluorescence experiments in butyronitrile (293-173 K) showed that the ICT excited state arises from the LE state of carbazole. These results were analyzed and found to be in accordance with an adiabatic version of Marcus theory including solvent relaxation.

Electrodeposition and magnetic characterization of iron and iron-silicon alloys from the ionic liquid 1-butyl-1-methylpyrrolidinium trifluoromethylsulfonate.

PubMed

Giridhar, Pulletikurthi; Weidenfeller, Bernd; El Abedin, Sherif Zein; Endres, Frank

2014-11-10

The electrodeposition of soft magnetic iron and iron-silicon alloys for magnetic measurements is presented. The preparation of these materials in 1-butyl-1-methylpyrrolidinium trifluoromethylsulfonate, [Py1,4]TfO, at 100 °C with FeCl2 and FeCl2 +SiCl4 was studied by using cyclic voltammetry. Constant-potential electrolysis was carried out to deposit either Fe or FeSi, and deposits of approximately 10 μm thicknesses were obtained. By using scanning electron microscopy and X-ray diffraction, the microstructure and crystallinity of the deposits were investigated. Grain sizes in the nanometer regime (50-80 nm) were found and the presence of iron-silicon alloys was verified. Frequency-dependent magnetic polarizations, coercive forces, and power losses of some deposits were determined by using a digital hysteresis recorder. Corresponding to the small grain sizes, the coercive forces are around 950-1150 A m(-1) and the power losses were at 6000 J m(-3), which is much higher than in commercial Fe(3.2 wt %)Si electrical steel. Below a polarization of 1.8 T, the power losses are mainly caused by domain wall movements and, above 1.8 T, by rotation of magnetic moments as well as domain wall annihilation and recreation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic, Magnetic and Optical Properties of 2D Metal Nanolayers: A DFT Study

NASA Astrophysics Data System (ADS)

Bhuyan, Prabal Dev; Gupta, Sanjeev K.; Singh, Deobrat; Sonvane, Yogesh; Gajjar, P. N.

2018-03-01

In the recent work, we have investigated the structural, electronic, magnetic and optical properties of graphene-like hexagonal monolayers and multilayers (up to five layers) of 3d-transition metals Fe, Co and Ni based on spin-polarized density functional theory. Here, we have taken two types of pattern namely AA-stacking and AB-stacking for the calculations. The binding energy calculations show that the AA-type configuration is energetically more stable. The calculated binding energies of Fe, Co and Ni-bilayer monolayer are - 3.24, - 2.53 and - 1.94 eV, respectively. The electronic band structures show metallic behavior for all the systems and each configurations of Fe, Co and Ni-atoms. While, the quantum ballistic conductances of these metallic systems are found to be higher for pentalayer than other layered systems. The density of states confirms the ferromagnetic behavior of monolayers and multilayers of Fe and Co having negative spin polarizations. We have also calculated frequency dependent complex dielectric function, electronic energy loss spectrum and reflectance spectrum of monolayer to pentalayer metallic systems. The ferromagnetic material shows different permittivity tensor (ɛ), which is due to high spin magnetic moment for n-layered Fe and Co two-dimensional (2D) nanolayers. The theoretical investigation suggests that the electronic, magnetic and optical properties of 3d-transition metal nanolayers offers great promise for their use in spintronics nanodevices and magneto-optical nanodevices applications.

Correlation of forebody pressures and aircraft yawing moments on the X-29A aircraft at high angles of attack

NASA Technical Reports Server (NTRS)

Fisher, David F.; Richwine, David M.; Landers, Stephen

1992-01-01

In-flight pressure distributions at four fuselage stations on the forebody of the X-29A aircraft have been reported at angles of attack from 15 to 66 deg and at Mach numbers from 0.22 to 0.60. At angles of attack of 20 deg and higher, vortices shed from the nose strake caused suction peaks in the pressure distributions that generally increased in magnitude with angle of attack. Above 30 deg-angle of attack, the forebody pressure distributions became asymmetrical at the most forward station, while they remained nearly symmetrical until 50 to 55 deg-angle of attack for the aft stations. Between 59 to 66 deg-angle of attack, the asymmetry of the pressure distributions changed direction. Yawing moments for the forebody alone were obtained by integrating the forebody pressure distributions. At 45 deg-angle of attack, the aircraft yaws to the right and at 50 deg and higher, the aircraft yaws to the left. The forebody yawing moments correlated well with the aircraft left yawing moment at an angle of attack of 50 deg or higher. At a 45 deg-angle of attack, the forebody yawing moments did not correlate well with the aircraft yawing moment, but it is suggested that this was due to asymmetric pressures on the cockpit region of the fuselage which was not instrumented. The forebody was also shown to provide a positive component of directional stability of the aircraft at angles of attack of 25 deg or higher. A Mach number effect was noted at angles of attack of 30 deg or higher at the station where the nose strake was present. At this station, the suction peaks in the pressure distributions at the highest Mach number were reduced and much more symmetrical as compared to the lower Mach number pressure distributions.

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.

Spin-polarized charge transport in HgTe/CdTe quantum well topological insulator under a ferromagnetic metal strip

NASA Astrophysics Data System (ADS)

Wu, Zhenhua; Luo, Kun; Yu, Jiahan; Wu, Xiaobo; Lin, Liangzhong

2018-02-01

Electron tunneling through a single magnetic barrier in a HgTe topological insulator has been theoretically investigated. We find that the perpendicular magnetic field would not lead to spin-flip of the edge states due to the conservation of the angular moment. By tuning the magnetic field and the Fermi energy, the edge channels can be transited from switch-on states to switch-off states and the current from unpolarized states can be filtered to fully spin polarized states. These features offer us an efficient way to control charge/spin transport in a HgTe/CdTe quantum well, and pave a way to construct the nanoelectronic devices utilizing the topological edge states.

Statistical analysis of polarization interference images of biological fluids polycrystalline films in the tasks of optical anisotropy weak changes differentiation

NASA Astrophysics Data System (ADS)

Ushenko, Yu. O.; Dubolazov, O. V.; Ushenko, V. O.; Zhytaryuk, V. G.; Prydiy, O. G.; Pavlyukovich, N.; Pavlyukovich, O.

2018-01-01

In this paper, we present the results of a statistical analysis of polarization-interference images of optically thin histological sections of biological tissues and polycrystalline films of biological fluids of human organs. A new analytical parameter is introduced-the local contrast of the interference pattern in the plane of a polarizationinhomogeneous microscopic image of a biological preparation. The coordinate distributions of the given parameter and the sets of statistical moments of the first-fourth order that characterize these distributions are determined. On this basis, the differentiation of degenerative-dystrophic changes in the myocardium and the polycrystalline structure of the synovial fluid of the human knee with different pathologies is realized.

Measurement of Deeply Virtual Compton Scattering with a Polarized-Proton Target

NASA Astrophysics Data System (ADS)

Chen, S.; Avakian, H.; Burkert, V. D.; Eugenio, P.; Adams, G.; Amarian, M.; Ambrozewicz, P.; Anghinolfi, M.; Asryan, G.; Bagdasaryan, H.; Baillie, N.; Ball, J. P.; Baltzell, N. A.; Barrow, S.; Batourine, V.; Battaglieri, M.; Beard, K.; Bedlinskiy, I.; Bektasoglu, M.; Bellis, M.; Benmouna, N.; Berman, B. L.; Biselli, A. S.; Bonner, B. E.; Bouchigny, S.; Boiarinov, S.; Bosted, P.; Bradford, R.; Branford, D.; Briscoe, W. J.; Brooks, W. K.; Bültmann, S.; Butuceanu, C.; Calarco, J. R.; Careccia, S. L.; Carman, D. S.; Carnahan, B.; Cazes, A.; Cole, P. L.; Collins, P.; Coltharp, P.; Cords, D.; Corvisiero, P.; Crabb, D.; Crannell, H.; Crede, V.; Cummings, J. P.; Masi, R. De; Devita, R.; Sanctis, E. De; Degtyarenko, P. V.; Denizli, H.; Dennis, L.; Deur, A.; Dharmawardane, K. V.; Dhuga, K. S.; Djalali, C.; Dodge, G. E.; Donnelly, J.; Doughty, D.; Dugger, M.; Dytman, S.; Dzyubak, O. P.; Egiyan, H.; Egiyan, K. S.; Fassi, L. El; Elouadrhiri, L.; Fatemi, R.; Fedotov, G.; Feldman, G.; Feuerbach, R. J.; Forest, T. A.; Funsten, H.; Garçon, M.; Gavalian, G.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Golovatch, E.; Gonenc, A.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guillo, M.; Guler, N.; Guo, L.; Gyurjyan, V.; Hadjidakis, C.; Hafidi, K.; Hakobyan, H.; Hakobyan, R. S.; Hardie, J.; Heddle, D.; Hersman, F. W.; Hicks, K.; Hleiqawi, I.; Holtrop, M.; Huertas, M.; Hyde-Wright, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Ito, M. M.; Jenkins, D.; Jo, H. S.; Joo, K.; Juengst, H. G.; Keith, C.; Kellie, J. D.; Khandaker, M.; Kim, K. Y.; Kim, K.; Kim, W.; Klein, A.; Klein, F. J.; Klusman, M.; Kossov, M.; Kramer, L. H.; Kubarovsky, V.; Kuhn, J.; Kuhn, S. E.; Kuleshov, S. V.; Lachniet, J.; Laget, J. M.; Langheinrich, J.; Lawrence, D.; Li, Ji; Lima, A. C. S.; Livingston, K.; Lu, H.; Lukashin, K.; MacCormick, M.; Markov, N.; McAleer, S.; McKinnon, B.; McNabb, J. W. C.; Mecking, B. A.; Mestayer, M. D.; Meyer, C. A.; Mibe, T.; Mikhailov, K.; Minehart, R.; Mirazita, M.; Miskimen, R.; Mokeev, V.; Morand, L.; Morrow, S. A.; Moteabbed, M.; Mueller, J.; Mutchler, G. S.; Nadel-Turonski, P.; Napolitano, J.; Nasseripour, R.; Natasha, N.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Niczyporuk, B. B.; Niroula, M. R.; Niyazov, R. A.; Nozar, M.; O'Rielly, G. V.; Osipenko, M.; Ostrovidov, A. I.; Park, K.; Pasyuk, E.; Paterson, C.; Philips, S. A.; Pierce, J.; Pivnyuk, N.; Pocanic, D.; Pogorelko, O.; Polli, E.; Popa, I.; Pozdniakov, S.; Preedom, B. M.; Price, J. W.; Prok, Y.; Protopopescu, D.; Qin, L. M.; Raue, B. A.; Riccardi, G.; Ricco, G.; Ripani, M.; Ritchie, B. G.; Ronchetti, F.; Rosner, G.; Rossi, P.; Rowntree, D.; Rubin, P. D.; Sabatié, F.; Salgado, C.; Santoro, J. P.; Sapunenko, V.; Schumacher, R. A.; Serov, V. S.; Sharabian, Y. G.; Shaw, J.; Shvedunov, N. V.; Skabelin, A. V.; Smith, E. S.; Smith, L. C.; Sober, D. I.; Stavinsky, A.; Stepanyan, S. S.; Stepanyan, S.; Stokes, B. E.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Suleiman, R.; Taiuti, M.; Tedeschi, D. J.; Thoma, U.; Tkabladze, A.; Tkachenko, S.; Todor, L.; Tur, C.; Ungaro, M.; Vanderhaeghen, M.; Vineyard, M. F.; Vlassov, A. V.; Watts, D. P.; Weinstein, L. B.; Weygand, D. P.; Williams, M.; Wolin, E.; Wood, M. H.; Yegneswaran, A.; Yun, J.; Zana, L.; Zhang, J.; Zhao, B.; Zhao, Z.

2006-08-01

The longitudinal target-spin asymmetry AUL for the exclusive electroproduction of high-energy photons was measured for the first time in ep→→e'pγ. The data have been accumulated at JLab with the CLAS spectrometer using 5.7 GeV electrons and a longitudinally polarized NH3 target. A significant azimuthal angular dependence was observed, resulting from the interference of the deeply virtual Compton scattering and Bethe-Heitler processes. The amplitude of the sin⁡ϕ moment is 0.252±0.042stat±0.020sys. Theoretical calculations are in good agreement with the magnitude and the kinematic dependence of the target-spin asymmetry, which is sensitive to the generalized parton distributions H˜ and H.

Interfacial mixing in as-deposited Si/Ni/Si layers analyzed by x-ray and polarized neutron reflectometry

NASA Astrophysics Data System (ADS)

Bhattacharya, Debarati; Basu, Saibal; Singh, Surendra; Roy, Sumalay; Dev, Bhupendra Nath

2012-12-01

Interdiffusion occurring across the interfaces in a Si/Ni/Si layered system during deposition at room temperature was probed using x-ray reflectivity (XRR) and polarized neutron reflectivity (PNR). Exploiting the complementarity of these techniques, both structural and magnetic characterization with nanometer depth resolution could be achieved. Suitable model fitting of the reflectivity profiles identified the formation of Ni-Si mixed alloy layers at the Si/Ni and Ni/Si interfaces. The physical parameters of the layered structure, including quantitative assessment of the stoichiometry of interfacial alloys, were obtained from the analyses of XRR and PNR patterns. In addition, PNR provided magnetic moment density profile as a function of depth in the stratified medium.

Magnetic Moments and Hyperfine Parameters of Fe3-xCrxAl0.5Si0.5

NASA Astrophysics Data System (ADS)

Rećko, Katarzyna; Go, Anna; Satuła, Dariusz; Biernacka, Maria; Dobrzyński, Ludwik; Waliszewski, Janusz; Milczarek, Jacek J.; Szymański, Krzysztof

2012-04-01

Results of X-ray, neutron, magnetization and Mössbauer measurements on polycrystalline samples of Fe3-xCrx Al0.5Si0.5 (x=0, 0.125, 0.250, 0.375, and 0.5) alloys, crystallizing in DO3 type of structure, are presented. X-ray and neutron diffraction confirmed the phase homogeneity of all the samples. The unit cell volume has been proved to be independent of the chromium content. Neutron and Mössbauer measurements disclosed that Cr atoms occupy preferentially B-sites, while D-sites are almost entirely occupied by Al and Si. The total magnetisation as well as the individual magnetic moments μFe(A,C), μFe(B) and μCr(B,D) have been found to vary linearly with chromium concentration. Influence of local environments on the formation of magnetic moments in Fe3Al0.5Si0.5 when chromium is substituted for iron was examined using self-consistent spin-polarized tight-binding linear muffin-tin orbital method (TB-LMTO).

Measurement of the electric quadrupole moments of CO2 , CO, N2 , Cl2 and BF3

NASA Astrophysics Data System (ADS)

Graham, C.; Imrie, D. A.; Raab, R. E.

The electric quadrupole moments of a number of molecules have been determined from measurement of the birefringence induced in a gas by an electric field gradient. The values obtained are: carbon dioxide (- 14·27 ± 0·61)x 10-40 C m2, carbon monoxide (- 9·47 ± 0·15)x 10-40 C m2, nitrogen (- 4·65±0·08)x 10-40 C m2 and boron trifluoride (12·6±0·7)x 10-40 C m2. In the calculation of the moments for carbon monoxide and boron trifluoride the small hyperpolarizability contribution was neglected in the absence of known values. By means of the Jones calculus a detailed analysis was made of the effects of strain birefringence in the cell windows and imperfect orientation of polarizing components in the light path. This analysis led to a measurement procedure which yielded results significantly different from previously reported ones obtained with essentially the same apparatus. The probable error in the earlier procedure is identified.

Magnetic moment measurements of gyroscopically stabilized graphene nanoplatelets levitated in an ion trap

NASA Astrophysics Data System (ADS)

Coppock, Joyce; Nagornykh, Pavel; Murphy, Jacob; Kane, Bruce

Measurement of small magnetic effects in 2D materials can be facilitated by decoupling the material from its substrate using particle trapping techniques. We investigate the mechanical and magnetic properties of a rotating micron-scale graphene nanoplatelet levitated in a quadrupole electric field trap in high vacuum. Its motion is observed optically, via the scattering of a low-power laser beam. Illumination by a circularly polarized laser causes the nanoplatelet to rotate at frequencies of 10-40 MHz. Frequency locking to an applied RF electric field stabilizes the nanoplatelet so that its axis of rotation is normal to its surface. We find that residual slow dynamics of the axis orientation are determined by an applied magnetic field. From frequency- and field-dependent measurements, we observe one magnetic moment arising from the rapid rotation of the charged nanoplatelet and one originating from diamagnetism, and we estimate their magnitudes. We determine a gyromagnetic ratio corresponding to the rotational moment and discuss our measurements of diamagnetism in the context of theories of the properties of graphene. Our measurements imply a torque sensitivity of better than 10-23 N-m.

Ion imaging studies of product rotational alignment in collisions of NO ( X2Π1/2, j=0.5) with Ar

NASA Astrophysics Data System (ADS)

Wade, Elisabeth A.; Thomas Lorenz, K.; Chandler, David W.; Barr, James W.; Barnes, George L.; Cline, Joseph I.

2004-06-01

The collision-induced rotational alignment of NO ( X2Π1/2, v=0, j=4.5 , 8.5, 11.5, 12.5, and 15.5) is measured for rotationally inelastic scattering of NO ( X2Π1/2, v=0, j=0.5) with Ar at 520 ± 70 cm -1 of center-of-mass collision energy. The experiments are performed by velocity-mapped ion imaging with polarized 1+1 ' REMPI of the scattered NO product. Differential cross-sections (DCSs), corrected for alignment effects, are also reported. While the alignment correction is important, it does not change the positions of the observed rotational rainbows. The alignment moments and DCSs are compared with calculations using Alexander's CCSD(T) PESs. The theoretical and experimental DCSs show excellent agreement, as do the theoretical and experimental alignment moments for low Δ j. For high Δ j collisions and back-scattered trajectories, which sample the hard wall of the PES, the theoretical and experimental alignment moments show less agreement.

Maximum-entropy reconstruction method for moment-based solution of the Boltzmann equation

NASA Astrophysics Data System (ADS)

Summy, Dustin; Pullin, Dale

2013-11-01

We describe a method for a moment-based solution of the Boltzmann equation. This starts with moment equations for a 10 + 9 N , N = 0 , 1 , 2 . . . -moment representation. The partial-differential equations (PDEs) for these moments are unclosed, containing both higher-order moments and molecular-collision terms. These are evaluated using a maximum-entropy construction of the velocity distribution function f (c , x , t) , using the known moments, within a finite-box domain of single-particle-velocity (c) space. Use of a finite-domain alleviates known problems (Junk and Unterreiter, Continuum Mech. Thermodyn., 2002) concerning existence and uniqueness of the reconstruction. Unclosed moments are evaluated with quadrature while collision terms are calculated using a Monte-Carlo method. This allows integration of the moment PDEs in time. Illustrative examples will include zero-space- dimensional relaxation of f (c , t) from a Mott-Smith-like initial condition toward equilibrium and one-space dimensional, finite Knudsen number, planar Couette flow. Comparison with results using the direct-simulation Monte-Carlo method will be presented.

Kinetic attractor phase diagrams of active nematic suspensions: the dilute regime.

PubMed

Forest, M Gregory; Wang, Qi; Zhou, Ruhai

2015-08-28

Large-scale simulations by the authors of the kinetic-hydrodynamic equations for active polar nematics revealed a variety of spatio-temporal attractors, including steady and unsteady, banded (1d) and cellular (2d) spatial patterns. These particle scale activation-induced attractors arise at dilute nanorod volume fractions where the passive equilibrium phase is isotropic, whereas all previous model simulations have focused on the semi-dilute, nematic equilibrium regime and mostly on low-moment orientation tensor and polarity vector models. Here we extend our previous results to complete attractor phase diagrams for active nematics, with and without an explicit polar potential, to map out novel spatial and dynamic transitions, and to identify some new attractors, over the parameter space of dilute nanorod volume fraction and nanorod activation strength. The particle-scale activation parameter corresponds experimentally to a tunable force dipole strength (so-called pushers with propulsion from the rod tail) generated by active rod macromolecules, e.g., catalysis with the solvent phase, ATP-induced propulsion, or light-activated propulsion. The simulations allow 2d spatial variations in all flow and orientational variables and full spherical orientational degrees of freedom; the attractors correspond to numerical integration of a coupled system of 125 nonlinear PDEs in 2d plus time. The phase diagrams with and without the polar interaction potential are remarkably similar, implying that polar interactions among the rodlike particles are not essential to long-range spatial and temporal correlations in flow, polarity, and nematic order. As a general rule, above a threshold, low volume fractions induce 1d banded patterns, whereas higher yet still dilute volume fractions yield 2d patterns. Again as a general rule, varying activation strength at fixed volume fraction induces novel dynamic transitions. First, stationary patterns saturate the instability of the isotropic state, consisting of discrete 1d banded or 2d cellular patterns depending on nanorod volume fraction. Increasing activation strength further induces a sequence of attractor bifurcations, including oscillations superimposed on the 1d and 2d stationary patterns, a uniform translational motion of 1d and 2d oscillating patterns, and periodic switching between 1d and 2d patterns. These results imply that active macromolecular suspensions are capable of long-range spatial and dynamic organization at isotropic equilibrium concentrations, provided particle-scale activation is sufficiently strong.

To perform a gyro test of general relativity in a satellite and develop associated control technology

NASA Technical Reports Server (NTRS)

Fairbank, W. M.; Everitt, C. W. F.; Debra, D. B.

1977-01-01

A satellite configuration having two gyroscopes with axes parallel to the boresight of a telescope and two at right angles to the telescope and approximately parallel and perpendicular to the earth's axis is proposed for measuring geodetic precessions due to the earth's motion about the sun, higher order geodetic terms calculated from the earth's quadrapole mass moment (0.010 arc-sec/year in a 400 nautical mile polar orbit), and deflection by the sun of the starlight signal for the reference telescope. Data from the experiment also contain large periodic signals due to the annual and orbital aberrations of starlight which are useful in providing a built in reference signal of known amplitude for scaling the relativity signals, and should yield a singularly precise measurement of the parallax of the reference star. The development of the gyroscope and its readout system are discussed, as well as signal integration, drag-free control, and attitude control.

Direct k-space mapping of the electronic structure in an oxide-oxide interface.

PubMed

Berner, G; Sing, M; Fujiwara, H; Yasui, A; Saitoh, Y; Yamasaki, A; Nishitani, Y; Sekiyama, A; Pavlenko, N; Kopp, T; Richter, C; Mannhart, J; Suga, S; Claessen, R

2013-06-14

The interface between LaAlO(3) and SrTiO(3) hosts a two-dimensional electron system of itinerant carriers, although both oxides are band insulators. Interface ferromagnetism coexisting with superconductivity has been found and attributed to local moments. Experimentally, it has been established that Ti 3d electrons are confined to the interface. Using soft x-ray angle-resolved resonant photoelectron spectroscopy we have directly mapped the interface states in k space. Our data demonstrate a charge dichotomy. A mobile fraction contributes to Fermi surface sheets, whereas a localized portion at higher binding energies is tentatively attributed to electrons trapped by O vacancies in the SrTiO(3). While photovoltage effects in the polar LaAlO(3) layers cannot be excluded, the apparent absence of surface-related Fermi surface sheets could also be fully reconciled in a recently proposed electronic reconstruction picture where the built-in potential in the LaAlO(3) is compensated by surface O vacancies serving also as a charge reservoir.

Analysis of the torsional storage modulus of human hair and its relation to hair morphology and cosmetic processing.

PubMed

Wortmann, Franz J; Wortmann, Gabriele; Haake, Hans-Martin; Eisfeld, Wolf

2014-01-01

Through measurements of three different hair samples (virgin and treated) by the torsional pendulum method (22°C, 22% RH) a systematic decrease of the torsional storage modulus G' with increasing fiber diameter, i.e., polar moment of inertia, is observed. G' is therefore not a material constant for hair. This change of G' implies a systematic component of data variance, which significantly contributes to the limitations of the torsional method for cosmetic claim support. Fitting the data on the basis of a core/shell model for cortex and cuticle enables to separate this systematic component of variance and to greatly enhance the discriminative power of the test. The fitting procedure also provides values for the torsional storage moduli of the morphological components, confirming that the cuticle modulus is substantially higher than that of the cortex. The results give consistent insight into the changes imparted to the morphological components by the cosmetic treatments.

Assessment of Anisotropic Semiconductor Nanorod and Nanoplatelet Heterostructures with Polarized Emission for Liquid Crystal Display Technology.

PubMed

Cunningham, Patrick D; Souza, João B; Fedin, Igor; She, Chunxing; Lee, Byeongdu; Talapin, Dmitri V

2016-06-28

Semiconductor nanorods can emit linear-polarized light at efficiencies over 80%. Polarization of light in these systems, confirmed through single-rod spectroscopy, can be explained on the basis of the anisotropy of the transition dipole moment and dielectric confinement effects. Here we report emission polarization in macroscopic semiconductor-polymer composite films containing CdSe/CdS nanorods and colloidal CdSe nanoplatelets. Anisotropic nanocrystals dispersed in polymer films of poly butyl-co-isobutyl methacrylate (PBiBMA) can be stretched mechanically in order to obtain unidirectionally aligned arrays. A high degree of alignment, corresponding to an orientation factor of 0.87, was achieved and large areas demonstrated polarized emission, with the contrast ratio I∥/I⊥ = 5.6, making these films viable candidates for use in liquid crystal display (LCD) devices. To some surprise, we observed significant optical anisotropy and emission polarization for 2D CdSe nanoplatelets with the electronic structure of quantum wells. The aligned nanorod arrays serve as optical funnels, absorbing unpolarized light and re-emitting light from deep-green to red with quantum efficiencies over 90% and high degree of linear polarization. Our results conclusively demonstrate the benefits of anisotropic nanostructures for LCD backlighting. The polymer films with aligned CdSe/CdS dot-in-rod and rod-in-rod nanostructures show more than 2-fold enhancement of brightness compared to the emitter layers with randomly oriented nanostructures. This effect can be explained as the combination of linearly polarized luminescence and directional emission from individual nanostructures.

Estimation of full moment tensors, including uncertainties, for earthquakes, volcanic events, and nuclear explosions

NASA Astrophysics Data System (ADS)

Alvizuri, Celso R.

We present a catalog of full seismic moment tensors for 63 events from Uturuncu volcano in Bolivia. The events were recorded during 2011-2012 in the PLUTONS seismic array of 24 broadband stations. Most events had magnitudes between 0.5 and 2.0 and did not generate discernible surface waves; the largest event was Mw 2.8. For each event we computed the misfit between observed and synthetic waveforms, and we used first-motion polarity measurements to reduce the number of possible solutions. Each moment tensor solution was obtained using a grid search over the six-dimensional space of moment tensors. For each event we show the misfit function in eigenvalue space, represented by a lune. We identify three subsets of the catalog: (1) 6 isotropic events, (2) 5 tensional crack events, and (3) a swarm of 14 events southeast of the volcanic center that appear to be double couples. The occurrence of positively isotropic events is consistent with other published results from volcanic and geothermal regions. Several of these previous results, as well as our results, cannot be interpreted within the context of either an oblique opening crack or a crack-plus-double-couple model. Proper characterization of uncertainties for full moment tensors is critical for distinguishing among physical models of source processes. A seismic moment tensor is a 3x3 symmetric matrix that provides a compact representation of a seismic source. We develop an algorithm to estimate moment tensors and their uncertainties from observed seismic data. For a given event, the algorithm performs a grid search over the six-dimensional space of moment tensors by generating synthetic waveforms for each moment tensor and then evaluating a misfit function between the observed and synthetic waveforms. 'The' moment tensor M0 for the event is then the moment tensor with minimum misfit. To describe the uncertainty associated with M0, we first convert the misfit function to a probability function. The uncertainty, or rather the confidence, is then given by the 'confidence curve' P( V), where P(V) is the probability that the true moment tensor for the event lies within the neighborhood of M that has fractional volume V. The area under the confidence curve provides a single, abbreviated 'confidence parameter' for M0. We apply the method to data from events in different regions and tectonic settings: 63 small (M w 4) earthquakes in the southern Alaska subduction zone, and 12 earthquakes and 17 nuclear explosions at the Nevada Test Site. Characterization of moment tensor uncertainties puts us in better position to discriminate among moment tensor source types and to assign physical processes to the events.

Diffusion approximation with polarization and resonance effects for the modelling of seismic waves in strongly scattering small-scale media

NASA Astrophysics Data System (ADS)

Margerin, Ludovic

2013-01-01

This paper presents an analytical study of the multiple scattering of seismic waves by a collection of randomly distributed point scatterers. The theory assumes that the energy envelopes are smooth, but does not require perturbations to be small, thereby allowing the modelling of strong, resonant scattering. The correlation tensor of seismic coda waves recorded at a three-component sensor is decomposed into a sum of eigenmodes of the elastodynamic multiple scattering (Bethe-Salpeter) equation. For a general moment tensor excitation, a total number of four modes is necessary to describe the transport of seismic waves polarization. Their spatio-temporal dependence is given in closed analytical form. Two additional modes transporting exclusively shear polarizations may be excited by antisymmetric moment tensor sources only. The general solution converges towards an equipartition mixture of diffusing P and S waves which allows the retrieval of the local Green's function from coda waves. The equipartition time is obtained analytically and the impact of absorption on Green's function reconstruction is discussed. The process of depolarization of multiply scattered waves and the resulting loss of information is illustrated for various seismic sources. It is shown that coda waves may be used to characterize the source mechanism up to lapse times of the order of a few mean free times only. In the case of resonant scatterers, a formula for the diffusivity of seismic waves incorporating the effect of energy entrapment inside the scatterers is obtained. Application of the theory to high-contrast media demonstrates that coda waves are more sensitive to slow rather than fast velocity anomalies by several orders of magnitude. Resonant scattering appears as an attractive physical phenomenon to explain the small values of the diffusion constant of seismic waves reported in volcanic areas.

Half-metallic Co-based quaternary Heusler alloys for spintronics: Defect- and pressure-induced transitions and properties

DOE PAGES

Enamullah, .; Johnson, D. D.; Suresh, K. G.; ...

2016-11-07

Heusler compounds offer potential as spintronic devices due to their spin polarization and half-metallicity properties, where electron spin-majority (minority) manifold exhibits states (band gap) at the electronic chemical potential, yielding full spin polarization in a single manifold. Yet, Heuslers often exhibit intrinsic disorder that degrades its half-metallicity and spin polarization. Using density-functional theory, we analyze the electronic and magnetic properties of equiatomic Heusler (L2 1) CoMnCrAl and CoFeCrGe alloys for effects of hydrostatic pressure and intrinsic disorder (thermal antisites, binary swaps, and vacancies). Under pressure, CoMnCrAl undergoes a metallic transition, while half-metallicity in CoFeCrGe is retained for a limited range.more » Antisite disorder between Cr-Al pair in CoMnCrAl alloy is energetically the most favorable, and retains half-metallic character in Cr-excess regime. However, Co-deficient samples in both alloys undergo a transition from half-metallic to metallic, with a discontinuity in the saturation magnetization. For binary swaps, configurations that compete with the ground state are identified and show no loss of half-metallicity; however, the minority-spin band gap and magnetic moments vary depending on the atoms swapped. For single binary swaps, there is a significant energy cost in CoMnCrAl but with no loss of half-metallicity. Although a few configurations in CoFeCrGe energetically compete with the ground state, the minority-spin band gap and magnetic moments vary depending on the atoms swapped. Furthermore, this information should help in controlling these potential spintronic materials.« less

Half-metallic Co-based quaternary Heusler alloys for spintronics: Defect- and pressure-induced transitions and properties

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

Enamullah, .; Johnson, D. D.; Suresh, K. G.

Heusler compounds offer potential as spintronic devices due to their spin polarization and half-metallicity properties, where electron spin-majority (minority) manifold exhibits states (band gap) at the electronic chemical potential, yielding full spin polarization in a single manifold. Yet, Heuslers often exhibit intrinsic disorder that degrades its half-metallicity and spin polarization. Using density-functional theory, we analyze the electronic and magnetic properties of equiatomic Heusler (L2 1) CoMnCrAl and CoFeCrGe alloys for effects of hydrostatic pressure and intrinsic disorder (thermal antisites, binary swaps, and vacancies). Under pressure, CoMnCrAl undergoes a metallic transition, while half-metallicity in CoFeCrGe is retained for a limited range.more » Antisite disorder between Cr-Al pair in CoMnCrAl alloy is energetically the most favorable, and retains half-metallic character in Cr-excess regime. However, Co-deficient samples in both alloys undergo a transition from half-metallic to metallic, with a discontinuity in the saturation magnetization. For binary swaps, configurations that compete with the ground state are identified and show no loss of half-metallicity; however, the minority-spin band gap and magnetic moments vary depending on the atoms swapped. For single binary swaps, there is a significant energy cost in CoMnCrAl but with no loss of half-metallicity. Although a few configurations in CoFeCrGe energetically compete with the ground state, the minority-spin band gap and magnetic moments vary depending on the atoms swapped. Furthermore, this information should help in controlling these potential spintronic materials.« less

First-principle study of single TM atoms X (X=Fe, Ru or Os) doped monolayer WS2 systems

NASA Astrophysics Data System (ADS)

Zhu, Yuan-Yan; Zhang, Jian-Min

2018-05-01

We report the structural, magnetic and electronic properties of the pristine and single TM atoms X (X = Fe, Ru or Os) doped monolayer WS2 systems based on first-principle calculations. The results show that the W-S bond shows a stronger covalent bond, but the covalency is obviously weakened after the substitution of W atom with single X atoms, especially for Ru (4d75s1) with the easily lost electronic configuration. The smaller total energies of the doped systems reveal that the spin-polarized states are energetically favorable than the non-spin-polarized states, and the smallest total energy of -373.918 eV shows the spin-polarized state of the Os doped monolayer WS2 system is most stable among three doped systems. In addition, although the pristine monolayer WS2 system is a nonmagnetic-semiconductor with a direct band gap of 1.813 eV, single TM atoms Fe and Ru doped monolayer WS2 systems transfer to magnetic-HM with the total moments Mtot of 1.993 and 1.962 μB , while single TM atom Os doped monolayer WS2 systems changes to magnetic-metal with the total moments Mtot of 1.569 μB . Moreover, the impurity states with a positive spin splitting energies of 0.543, 0.276 and 0.1999 eV near the Fermi level EF are mainly contributed by X-dxy and X-dx2-y2 states hybridized with its nearest-neighbor atom W-dz2 states for Fe, Ru and Os doped monolayer WS2 system, respectively. Finally, we hope that the present study on monolayer WS2 will provide a useful theoretical guideline for exploring low-dimensional spintronic materials in future experiments.

Photoswitching of ferroelectric liquid crystals using chiral thioindigo dopants: The development of a photochemical switch hitter.

PubMed

Lemieux, Robert P

2004-01-01

By virtue of its spontaneous polarization (PS), a ferroelectric SmC* liquid crystal can be switched between two states corresponding to opposite molecular tilt orientations using an electric field, thus producing an ON-OFF light shutter between crossed polarizers. Considerable efforts have been made over the past decade to develop photonic FLC light shutters because of their potential uses in dynamic holography and optical data storage. The ON-OFF switching of a FLC light shutter can be triggered by light via a photoinversion of PS using a photochromic dopant. The spontaneous polarization is a chiral bulk property that can be left-handed (negative) or right-handed (positive), depending on the absolute configuration of the chiral component of the SmC* phase. In the approach described herein, the magnitude of PS is modulated via the photoisomerization of a chiral thioindigo dopant that undergoes a large increase in transverse dipole moment upon trans-cis photoisomerization. The sign of PS is photoinverted using an "ambidextrous" thioindigo dopant containing a chiral 2-octyloxy side chain that is coupled to the thioindigo core and induces a positive PS, and a chiral 2,3-difluorooctyloxy side chain that is decoupled from the core and induces a negative PS. In the trans form, the 2,3-difluorooctyloxy side chain predominates and the net PS induced by the dopant is negative. However, upon trans-cis-photoisomerization, the increase in transverse dipole moment of the 2-octyloxy/thioindigo unit raises its induced PS over that of the decoupled 2,3-difluorooctyloxy side chain, and thus inverts the net sign of PS induced by the dopant from negative to positive. Copyright 2004 The Japan Chemical Journal Forum and Wiley Periodicals, Inc.

Photophysical parameters and fluorescence quenching of 7-diethylaminocoumarin (DEAC) laser dye

NASA Astrophysics Data System (ADS)

El-Mossalamy, E. H.; Obaid, A. Y.; El-Daly, S. A.

2011-10-01

The optical properties including electronic absorption spectrum, emission spectrum, fluorescence quantum yield, and dipole moment of electronic transition of 7-diethylaminocoumarin (DEAC) laser dye have been measured in different solvents. Both electronic absorption and fluorescence spectra are red shifted as the polarity of the medium increases, indicating that the dipole moment of molecule increases on excitation. The fluorescence quantum yield of DEAC decreases as the polarity of solvent increases, a result of the role of solvent polarity in stabilization of the twisting of the intramolecular charge transfer (TICT) in excited state, which is a non-emissive state, as well as hydrogen bonding with the hetero-atom of dye. The emission spectrum of DEAC has also been measured in cationic (CTAC) and anionic (SDS) micelles, the intensity increases as the concentration of surfactant increases, and an abrupt change in emission intensity is observed at critical micelle concentration (CMC) of surfactant. 2×10 -3 mol dm -3 of DEAC gives laser emission in the blue region on pumping with nitrogen laser ( λex=337.1 nm). The laser parameters such as tuning range, gain coefficient ( α), emission cross section ( σe), and half-life energy have been calculated in different solvents, namely acetone, dioxane , ethanol, and dimethyforamide (DMF). The photoreactivity of DEAC has been studied in CCl 4 at a wavelength of 366 nm. The values of photochemical yield ( ϕc) and rate constant ( k) are determined. The interaction of organic acceptors such as picric acid (PA), tetracyanoethylene (TCNE), and 7,7,8,8-tetracynoquinonedimethane (TCNQ) with DEAC is also studied using fluorescence measurements in acetonitrile (CH 3CN); from fluorescence quenching study we assume the possible electron transfer from excited donor DEAC to organic acceptor forming non-emissive exciplex.

Distribution, origin and implications of seismic stress release in shallow and intermediate-depth subduction systems

NASA Astrophysics Data System (ADS)

Chen, Po-Fei

A characterization of focal mechanisms is developed for shallow and intermediate-depth earthquakes in the context of the local geometry of subduction systems. Its application to the Ryukyu-Taiwan-Luzon system is used to refine the spatial distribution of characteristic groups of earthquakes in the framework of local tectonic processes, such as flipping of the polarity of subduction and the nascent processes of arc-continent collision. The Harvard catalogue of Centroid Moment Tensor solutions is expanded to include intermediate-depth earthquakes from the WWSSN-HGLP era (1962--1975). Seventy-six new solutions are obtained, with the resulting dataset estimated to be complete for M0 ≥ 1026 dyn-cm. While source mechanisms from our new dataset are generally similar to those previously compiled in the Harvard catalogue, seismic moment release rates are found to be significantly smaller for the WWSSN era. The intermediate-depth seismicity of South America is compiled from the Harvard catalogue, using projection along local slab coordinates, to determine along-strike variations in the distribution of earthquakes and in the geometry of their stress release. Slab geometry is investigated in relation to slab stresses and the presence or absence of arc volcanism. Steeper-dipping slabs are found to exhibit consistent down-dip extension, a higher rate of seismic moment release and surface volcanism. Visualization using slab coordinate projections is extended systematically to a global survey of the geometry of stress release in intermediate-depth earthquakes. Various proposed models for all subduction zones are appraised, as contributors to stress regimes, based on global data compilations. Down-dip stresses, where prominent, are found to be consistent with the thermo-mechanical and petrological force models. Slab-normal conjugate stresses generally support the concept of earthquake reactivation of fossil faults. Patterns of lateral stresses support the predictions of the so-called "punctured-ping-pong-ball" model.

Oscillating dynamo in the presence of a fossil magnetic field - The solar cycle

NASA Technical Reports Server (NTRS)

Levy, E. H.; Boyer, D.

1982-01-01

Hydromagnetic dynamo generation of oscillating magnetic fields in the presence of an external, ambient magnetic field introduces a marked polarity asymmetry between the two halves of the magnetic cycle. The principle of oscillating dynamo interaction with external fields is developed, and a tentative application to the sun is described. In the sun a dipole moment associated with the stable fluid beneath the convection zone would produce an asymmetrical solar cycle.

Gravitational radiation from magnetically funneled supernova fallback onto a magnetar

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

Melatos, A.; Priymak, M., E-mail: amelatos@unimelb.edu.au, E-mail: m.priymak@pgrad.unimelb.edu.au

2014-10-20

Protomagnetars spun up to millisecond rotation periods by supernova fallback are predicted to radiate gravitational waves via hydrodynamic instabilities for ∼10{sup 2} s before possibly collapsing to form a black hole. It is shown that magnetic funneling of the accretion flow (1) creates a magnetically confined polar mountain, which boosts the gravitational wave signal, and (2) 'buries' the magnetic dipole moment, delaying the propeller phase and assisting black hole formation.

UTD analysis of electromagnetic scattering by flat structures. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Sikta, F. A.; Peters, L., Jr.

1981-01-01

The different scattering mechanisms that contribute to the radar cross of finite flat plates were identified and analyzed. The geometrical theory of diffraction, the equivalent current and the corner diffraction are used for this study. A study of the cross polarized field for a monopole mounted on a plate is presented, using novel edge wave mechanism in the analysis. The results are compared with moment method solutions as well as measured data.

Nonlinear spline wavefront reconstruction through moment-based Shack-Hartmann sensor measurements.

PubMed

Viegers, M; Brunner, E; Soloviev, O; de Visser, C C; Verhaegen, M

2017-05-15

We propose a spline-based aberration reconstruction method through moment measurements (SABRE-M). The method uses first and second moment information from the focal spots of the SH sensor to reconstruct the wavefront with bivariate simplex B-spline basis functions. The proposed method, since it provides higher order local wavefront estimates with quadratic and cubic basis functions can provide the same accuracy for SH arrays with a reduced number of subapertures and, correspondingly, larger lenses which can be beneficial for application in low light conditions. In numerical experiments the performance of SABRE-M is compared to that of the first moment method SABRE for aberrations of different spatial orders and for different sizes of the SH array. The results show that SABRE-M is superior to SABRE, in particular for the higher order aberrations and that SABRE-M can give equal performance as SABRE on a SH grid of halved sampling.

Theoretical Study of the Electric Dipole Moment Function of the CIO Molecule

NASA Technical Reports Server (NTRS)

Pettersson, Lars G. M.; Langhoff, Stephen R.; Chong, Delano P.

1986-01-01

The potential energy function and electric dipole moment function (EDMF) are computed for CIO Chi(sup 2)Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. Remaining questions concerning the position of the maximum of the EDMF may be resolved through experimental measurement of dipole moments of higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 +/- 2 /sq cm atm in good agreement with three experimental values, but larger than a recent value of 5 /sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.

Tau hadronic spectral function moments: perturbative expansion and αs extractions

NASA Astrophysics Data System (ADS)

Boito, D.

2016-04-01

In the extraction of αs from hadronic τ decays different moments of the spectral functions have been used. Furthermore, the two mainstream renormalization group improvement (RGI) frameworks, namely Fixed Order Perturbation Theory (FOPT) and Contour Improved Perturbation Theory (CIPT), lead to conflicting values of αs. In order to improve the strategy used in αs determinations, we have performed a systematic study of the perturbative behaviour of these spectral moments in the context of FOPT and CIPT. Higher order coefficients of the perturbative series, yet unknown, were modelled using available knowledge of the renormalon content of the QCD Adler function. We conclude that within these RGI frameworks some of the moments often employed in αs extractions should be avoided due to their poor perturbative behaviour. Finally, under reasonable assumptions about higher orders, we conclude that FOPT is the preferred method to perform the renormalization group improvement of the perturbative series.

Scattering of cylindrical electric field waves from an elliptical dielectric cylindrical shell

NASA Astrophysics Data System (ADS)

Urbanik, E. A.

1982-12-01

This thesis examines the scattering of cylindrical waves by large dielectric scatterers of elliptic cross section. The solution method was the method of moments using a Galerkin approach. Sinusoidal basis and testing functions were used resulting in a higher convergence rate. The higher rate of convergence made it possible for the program to run on the Aeronautical Systems Division's CYBER computers without any special storage methods. This report includes discussion on moment methods, solution of integral equations, and the relationship between the electric field and the source region or self cell singularity. Since the program produced unacceptable run times, no results are contained herein. The importance of this work is the evaluation of the practicality of moment methods using standard techniques. The long run times for a mid-sized scatterer demonstrate the impracticality of moment methods for dielectrics using standard techniques.

Extension of the method of moments for population balances involving fractional moments and application to a typical agglomeration problem.

PubMed

Alexiadis, Alessio; Vanni, Marco; Gardin, Pascal

2004-08-01

The method of moment (MOM) is a powerful tool for solving population balance. Nevertheless it cannot be used in every circumstance. Sometimes, in fact, it is not possible to write the governing equations in closed form. Higher moments, for instance, could appear in the evolution of the lower ones. This obstacle has often been resolved by prescribing some functional form for the particle size distribution. Another example is the occurrence of fractional moment, usually connected with the presence of fractal aggregates. For this case we propose a procedure that does not need any assumption on the form of the distribution but it is based on the "moments generating function" (that is the Laplace transform of the distribution). An important result of probability theory is that the kth derivative of the moments generating function represents the kth moment of the original distribution. This result concerns integer moments but, taking in account the Weyl fractional derivative, could be extended to fractional orders. Approximating fractional derivative makes it possible to express the fractional moments in terms of the integer ones and so to use regularly the method of moments.