ASTRORAY: General relativistic polarized radiative transfer code

NASA Astrophysics Data System (ADS)

Shcherbakov, Roman V.

2014-07-01

ASTRORAY employs a method of ray tracing and performs polarized radiative transfer of (cyclo-)synchrotron radiation. The radiative transfer is conducted in curved space-time near rotating black holes described by Kerr-Schild metric. Three-dimensional general relativistic magneto hydrodynamic (3D GRMHD) simulations, in particular performed with variations of the HARM code, serve as an input to ASTRORAY. The code has been applied to reproduce the sub-mm synchrotron bump in the spectrum of Sgr A*, and to test the detectability of quasi-periodic oscillations in its light curve. ASTRORAY can be readily applied to model radio/sub-mm polarized spectra of jets and cores of other low-luminosity active galactic nuclei. For example, ASTRORAY is uniquely suitable to self-consistently model Faraday rotation measure and circular polarization fraction in jets.

Polarization of skylight in the O(2)A band: effects of aerosol properties.

PubMed

Boesche, Eyk; Stammes, Piet; Preusker, Réne; Bennartz, Ralf; Knap, Wouter; Fischer, Juergen

2008-07-01

Motivated by several observations of the degree of linear polarization of skylight in the oxygen A (O(2)A) band that do not yet have a quantitative explanation, we analyze the influence of aerosol altitude, microphysics, and optical thickness on the degree of linear polarization of the zenith skylight in the spectral region of the O(2)A band, between 755 to 775 nm. It is shown that the degree of linear polarization inside the O(2)A band is particularly sensitive to aerosol altitude. The sensitivity is strongest for aerosols within the troposphere and depends also on their microphysical properties and optical thickness. The polarization of the O(2)A band can be larger than the polarization of the continuum, which typically occurs for strongly polarizing aerosols in an elevated layer, or smaller, which typically occurs for depolarizing aerosols or cirrus clouds in an elevated layer. We show that in the case of a single aerosol layer in the atmosphere a determination of the aerosol layer altitude may be obtained. Furthermore, we show limitations of the aerosol layer altitude determination in case of multiple aerosol layers. To perform these simulations we developed a fast method for multiple scattering radiative transfer calculations in gaseous absorption bands including polarization. The method is a combination of doubling-adding and k-binning methods. We present an error estimation of this method by comparing with accurate line-by-line radiative transfer simulations. For the Motivated by several observations of the degree of linear polarization of skylight in the oxygen A (O(2)A) band that do not yet have a quantitative explanation, we analyze the influence of aerosol altitude, microphysics, and optical thickness on the degree of linear polarization of the zenith skylight in the spectral region of the O(2)A band, between 755 to 775 nm. It is shown that the degree of linear polarization inside the O(2)A band is particularly sensitive to aerosol altitude. The sensitivity is strongest for aerosols within the troposphere and depends also on their microphysical properties and optical thickness. The polarization of the O(2)A band can be larger than the polarization of the continuum, which typically occurs for strongly polarizing aerosols in an elevated layer, or smaller, which typically occurs for depolarizing aerosols or cirrus clouds in an elevated layer. We show that in the case of a single aerosol layer in the atmosphere a determination of the aerosol layer altitude may be obtained. Furthermore, we show limitations of the aerosol layer altitude determination in case of multiple aerosol layers. To perform these simulations we developed a fast method for multiple scattering radiative transfer calculations in gaseous absorption bands including polarization. The method is a combination of doubling-adding and k-binning methods. We present an error estimation of this method by comparing with accurate line-by-line radiative transfer simulations. For the O(2)A band, the errors in the degree of linear polarization are less than 0.11% for transmitted light, and less than 0.31% for reflected light. band, the errors in the degree of linear polarization are less than 0.11% for transmitted light, and less than 0.31% for reflected light.

Polarization transfer in x-ray transitions due to photoionization in highly charged copper-like ions

NASA Astrophysics Data System (ADS)

Ma, Kun; Chen, Zhan-Bin; Xie, Lu-You; Dong, Chen-Zhong

2018-02-01

Using the density matrix theory and the multi-configuration Dirac-Fock method, the 3{d}3/2 subshell photoionization of highly charged ions is studied, together with their subsequent radiative decay. The effects of polarization transfer on the linear polarization and angular distribution of the 3{d}94{s}2{}2{D}3/2\\to 3{d}104p{}2{P}1/2 characteristic line photoemission for selected Cu-like Zn+, Ba27+, {{{W}}}45+, and {{{U}}}63+ ions are investigated. Our results show that the polarization transfer, arising from the originally polarized incident light, may lead to a considerable change in the alignment parameters and the polarization properties of the radiation, the character of which is highly sensitive to the initial photon polarization, yet virtually independent of the photon energy. These characteristics are very similar to those of the electron bremsstrahlung process reported by Märtin et al (2012 Phys. Rev. Lett. 108 264801). The present results are compared with available experimental results and show a good quantitative agreement.

Hyperpolarization of Frozen Hydrocarbon Gases by Dynamic Nuclear Polarization at 1.2 K.

PubMed

Vuichoud, Basile; Canet, Estel; Milani, Jonas; Bornet, Aurélien; Baudouin, David; Veyre, Laurent; Gajan, David; Emsley, Lyndon; Lesage, Anne; Copéret, Christophe; Thieuleux, Chloé; Bodenhausen, Geoffrey; Koptyug, Igor; Jannin, Sami

2016-08-18

We report a simple and general method for the hyperpolarization of condensed gases by dynamic nuclear polarization (DNP). The gases are adsorbed in the pores of structured mesoporous silica matrices known as HYPSOs (HYper Polarizing SOlids) that have paramagnetic polarizing agents covalently bound to the surface of the mesopores. DNP is performed at low temperatures and moderate magnetic fields (T = 1.2 K and B0 = 6.7 T). Frequency-modulated microwave irradiation is applied close to the electron spin resonance frequency (f = 188.3 GHz), and the electron spin polarization of the polarizing agents of HYPSO is transferred to the nuclear spins of the frozen gas. A proton polarization as high as P((1)H) = 70% can be obtained, which can be subsequently transferred to (13)C in natural abundance by cross-polarization, yielding up to P((13)C) = 27% for ethylene.

Monte Carlo Calculations of Polarized Microwave Radiation Emerging from Cloud Structures

NASA Technical Reports Server (NTRS)

Kummerow, Christian; Roberti, Laura

1998-01-01

The last decade has seen tremendous growth in cloud dynamical and microphysical models that are able to simulate storms and storm systems with very high spatial resolution, typically of the order of a few kilometers. The fairly realistic distributions of cloud and hydrometeor properties that these models generate has in turn led to a renewed interest in the three-dimensional microwave radiative transfer modeling needed to understand the effect of cloud and rainfall inhomogeneities upon microwave observations. Monte Carlo methods, and particularly backwards Monte Carlo methods have shown themselves to be very desirable due to the quick convergence of the solutions. Unfortunately, backwards Monte Carlo methods are not well suited to treat polarized radiation. This study reviews the existing Monte Carlo methods and presents a new polarized Monte Carlo radiative transfer code. The code is based on a forward scheme but uses aliasing techniques to keep the computational requirements equivalent to the backwards solution. Radiative transfer computations have been performed using a microphysical-dynamical cloud model and the results are presented together with the algorithm description.

Compensated second-order recoupling: application to third spin assisted recoupling†

PubMed Central

Giffard, Mathilde; Hediger, Sabine; Lewandowski, Józef R.; Bardet, Michel; Simorre, Jean-Pierre; Griffin, Robert G.; De Paëpe, Gaël

2015-01-01

We consider the effect of phase shifts in the context of second-order recoupling techniques in solid-state NMR. Notably we highlight conditions leading to significant improvements for the Third Spin Assisted Recoupling (TSAR) mechanism and demonstrate the benefits of resulting techniques for detecting long-distance transfer in biomolecular systems. The modified pulse sequences of PAR and PAIN-CP, Phase-Shifted Proton Assisted Recoupling (AH-PS-PAR) and Phase-Shifted Proton-Assisted Insensitive Nuclei Cross Polarization (ABH-PS-PAIN-CP), still rely on cross terms between heteronuclear dipolar couplings involving assisting protons that mediate zero-quantum polarization transfer between low-γ nuclei (13C–13C, 15N–15N, 15N–13C polarization transfer). Using Average Hamiltonian Theory we show that phase inversion compensates off-resonance contributions and yields improved polarization transfer as well as substantial broadening of the matching conditions. PS-TSAR greatly improves on the standard TSAR based methods because it alleviates their sensitivity to precise RF settings which significantly enhances robustness of the experiments. We demonstrate these new methods on a 19.6 kDa protein (U–[15N, 13C]-YajG) at high magnetic fields (up to 900 MHz 1H frequency) and fast sample spinning (up to 65 kHz MAS frequency). PMID:22513727

Cyclotron line resonant transfer through neutron star atmospheres

NASA Technical Reports Server (NTRS)

Wang, John C. L.; Wasserman, Ira M.; Salpeter, Edwin E.

1988-01-01

Monte Carlo methods are used to study in detail the resonant radiative transfer of cyclotron line photons with recoil through a purely scattering neutron star atmosphere for both the polarized and unpolarized cases. For each case, the number of scatters, the path length traveled, the escape frequency shift, the escape direction cosine, the emergent frequency spectra, and the angular distribution of escaping photons are investigated. In the polarized case, transfer is calculated using both the cold plasma e- and o-modes and the magnetic vacuum perpendicular and parallel modes.

The vector radiative transfer numerical model of coupled ocean-atmosphere system using the matrix-operator method

NASA Astrophysics Data System (ADS)

Xianqiang, He; Delu, Pan; Yan, Bai; Qiankun, Zhu

2005-10-01

The numerical model of the vector radiative transfer of the coupled ocean-atmosphere system is developed based on the matrix-operator method, which is named PCOART. In PCOART, using the Fourier analysis, the vector radiative transfer equation (VRTE) splits up into a set of independent equations with zenith angle as only angular coordinate. Using the Gaussian-Quadrature method, VRTE is finally transferred into the matrix equation, which is calculated by using the adding-doubling method. According to the reflective and refractive properties of the ocean-atmosphere interface, the vector radiative transfer numerical model of ocean and atmosphere is coupled in PCOART. By comparing with the exact Rayleigh scattering look-up-table of MODIS(Moderate-resolution Imaging Spectroradiometer), it is shown that PCOART is an exact numerical calculation model, and the processing methods of the multi-scattering and polarization are correct in PCOART. Also, by validating with the standard problems of the radiative transfer in water, it is shown that PCOART could be used to calculate the underwater radiative transfer problems. Therefore, PCOART is a useful tool to exactly calculate the vector radiative transfer of the coupled ocean-atmosphere system, which can be used to study the polarization properties of the radiance in the whole ocean-atmosphere system and the remote sensing of the atmosphere and ocean.

Polarization radiation in the planetary atmosphere delimited by a heterogeneous diffusely reflecting surface

NASA Technical Reports Server (NTRS)

Strelkov, S. A.; Sushkevich, T. A.

1983-01-01

Spatial frequency characteristics (SFC) and the scattering functions were studied in the two cases of a uniform horizontal layer with absolutely black bottom, and an isolated layer. The mathematical model for these examples describes the horizontal heterogeneities in a light field with regard to radiation polarization in a three dimensional planar atmosphere, delimited by a heterogeneous surface with diffuse reflection. The perturbation method was used to obtain vector transfer equations which correspond to the linear and nonlinear systems of polarization radiation transfer. The boundary value tasks for the vector transfer equation that is a parametric set and one dimensional are satisfied by the SFC of the nonlinear system, and are expressed through the SFC of linear approximation. As a consequence of the developed theory, formulas were obtained for analytical calculation of albedo in solving the task of dissemination of polarization radiation in the planetary atmosphere with uniform Lambert bottom.

Transfer matrix approach for the Kerr and Faraday rotation in layered nanostructures.

PubMed

Széchenyi, Gábor; Vigh, Máté; Kormányos, Andor; Cserti, József

2016-09-21

To study the optical rotation of the polarization of light incident on multilayer systems consisting of atomically thin conductors and dielectric multilayers we present a general method based on transfer matrices. The transfer matrix of the atomically thin conducting layer is obtained using the Maxwell equations. We derive expressions for the Kerr (Faraday) rotation angle and for the ellipticity of the reflected (transmitted) light as a function of the incident angle and polarization of the light. The method is demonstrated by calculating the Kerr (Faraday) angle for bilayer graphene in the quantum anomalous Hall state placed on the top of dielectric multilayers. The optical conductivity of the bilayer graphene is calculated in the framework of a four-band model.

Gauss-Seidel and Successive Overrelaxation Methods for Radiative Transfer with Partial Frequency Redistribution

NASA Astrophysics Data System (ADS)

Sampoorna, M.; Trujillo Bueno, J.

2010-04-01

The linearly polarized solar limb spectrum that is produced by scattering processes contains a wealth of information on the physical conditions and magnetic fields of the solar outer atmosphere, but the modeling of many of its strongest spectral lines requires solving an involved non-local thermodynamic equilibrium radiative transfer problem accounting for partial redistribution (PRD) effects. Fast radiative transfer methods for the numerical solution of PRD problems are also needed for a proper treatment of hydrogen lines when aiming at realistic time-dependent magnetohydrodynamic simulations of the solar chromosphere. Here we show how the two-level atom PRD problem with and without polarization can be solved accurately and efficiently via the application of highly convergent iterative schemes based on the Gauss-Seidel and successive overrelaxation (SOR) radiative transfer methods that had been previously developed for the complete redistribution case. Of particular interest is the Symmetric SOR method, which allows us to reach the fully converged solution with an order of magnitude of improvement in the total computational time with respect to the Jacobi-based local accelerated lambda iteration method.

Validation of space-based polarization measurements by use of a single-scattering approximation, with application to the global ozone monitoring experiment.

PubMed

Aben, Ilse; Tanzi, Cristina P; Hartmann, Wouter; Stam, Daphne M; Stammes, Piet

2003-06-20

A method is presented for in-flight validation of space-based polarization measurements based on approximation of the direction of polarization of scattered sunlight by the Rayleigh single-scattering value. This approximation is verified by simulations of radiative transfer calculations for various atmospheric conditions. The simulations show locations along an orbit where the scattering geometries are such that the intensities of the parallel and orthogonal polarization components of the light are equal, regardless of the observed atmosphere and surface. The method can be applied to any space-based instrument that measures the polarization of reflected solar light. We successfully applied the method to validate the Global Ozone Monitoring Experiment (GOME) polarization measurements. The error in the GOME's three broadband polarization measurements appears to be approximately 1%.

Photodynamics of intramolecular proton transfer in polar and nonpolar biflavonoid solutions

NASA Astrophysics Data System (ADS)

Bondarev, S. L.; Knyukshto, V. N.; Tikhomirov, S. A.; Buganov, O. V.; Pyrko, A. N.

2012-10-01

Using methods of steady state luminescence and femtosecond spectroscopy, we have studied the mechanism of intramolecular proton transfer in synthesized 3,7-dihydroxy-2,8-di(4-methoxyphenyl)-4H,6H-pyrano[3,2- g]chromen-4,6-dion in polar and nonpolar solutions, films, and polycrystals at 293 and 77 K. In an excited singlet state, intramolecular proton transfer occurs in two stages. At the first stage, a tautomer with one transferred proton (OTP tautomer) is formed from the Franck-Condon state within τ1 = 0.6 ps. At the second stage, the second proton is transferred within τ2 = 3.1 ps and a tautomer with two transferred protons (TTP tautomer) is formed, which fluoresces in toluene at 293 K with a high quantum yield, Φ f = 0.66, and the fluorescence spectrum of which is characterized by a large Stokes shift, 9900 cm-1. At 293 K, polar solvents (dimethylformamide, dimethyl sulfoxide, ethanol, etc.) solvate the BFV molecule in the ground state, while, in the excited state, an OTP tautomer is mainly formed. In polar ethanol at 77 K, a dual fluorescence spectrum is observed, which is caused by the fluorescence emission of polysolvates with λ{max/ f } = 460 nm and TTP phototautomers at λ{max/ f }= 610 nm.

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

PubMed

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

2011-08-28

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory

PubMed Central

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G.

2011-01-01

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi–Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi–Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. PMID:21895159

Modified compensation algorithm of lever-arm effect and flexural deformation for polar shipborne transfer alignment based on improved adaptive Kalman filter

NASA Astrophysics Data System (ADS)

Wang, Tongda; Cheng, Jianhua; Guan, Dongxue; Kang, Yingyao; Zhang, Wei

2017-09-01

Due to the lever-arm effect and flexural deformation in the practical application of transfer alignment (TA), the TA performance is decreased. The existing polar TA algorithm only compensates a fixed lever-arm without considering the dynamic lever-arm caused by flexural deformation; traditional non-polar TA algorithms also have some limitations. Thus, the performance of existing compensation algorithms is unsatisfactory. In this paper, a modified compensation algorithm of the lever-arm effect and flexural deformation is proposed to promote the accuracy and speed of the polar TA. On the basis of a dynamic lever-arm model and a noise compensation method for flexural deformation, polar TA equations are derived in grid frames. Based on the velocity-plus-attitude matching method, the filter models of polar TA are designed. An adaptive Kalman filter (AKF) is improved to promote the robustness and accuracy of the system, and then applied to the estimation of the misalignment angles. Simulation and experiment results have demonstrated that the modified compensation algorithm based on the improved AKF for polar TA can effectively compensate the lever-arm effect and flexural deformation, and then improve the accuracy and speed of TA in the polar region.

Improvement of the linear polarization resistance method for testing steel corrosion inhibitors

NASA Astrophysics Data System (ADS)

Faritov, A. T.; Rozhdestvenskii, Yu. G.; Yamshchikova, S. A.; Minnikhanova, E. R.; Tyusenkov, A. S.

2016-11-01

The linear polarization resistance method is used to improve the technique of corrosion control in liquid conducting according to GOST 9.514-99 (General Corrosion and Aging Protection System. Corrosion Inhibitors for Metals in Water Systems. Electrochemical Method of Determining the Protective Ability). Corrosion monitoring is shown to be performed by electronic devices with real-time data transfer to industrial controllers and SCADA systems.

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

Chung, S.; Lin, C.C.

The absorption coefficients for the free-free transitions in collisions between slow electrons and neutral oxygen atoms have been calculated for wavelengths in the range of 1 to 30 [mu]m and temperatures between 5000 and 50 000 K. The wave functions of the unbound electron are the solutions of a one-electron Schroedinger-like continuum equation that includes the Coulomb, exchange, and polarization interactions with the oxygen atom. The polarization potential is determined by a first-principles calculation based on the method of polarized orbitals. Our absorption coefficients are in good agreement with those of John and Williams [J. Quant. Spectrosc. Radiat. Transfer 17,more » 169 (1977)], but are much smaller than the experimental data of Taylor and Caledonia [J. Quant. Spectrosc. Radiat. Transfer 9, 681 (1969)] and of Kung and Chang [J. Quant. Spectrosc. Radiat. Transfer 16, 579 (1976)].« less

Spectrophotometric and spectroscopic studies of charge transfer complex of 1-Naphthylamine as an electron donor with picric acid as an electron acceptor in different polar solvents

NASA Astrophysics Data System (ADS)

Singh, Neeti; Ahmad, Afaq

2010-08-01

The charge transfer complex of 1-Naphthylamine as a donor with π-acceptor picric acid has been studied spectrophotometrically in different solvents at room temperature. The results indicate that the formation of charge transfer complex is high in less polar solvent. The stoichiometry of the complex was found to be 1:1 by straight line method. The data are analysed in terms of formation constant ( KCT), molar extinction coefficient ( ɛCT), standard free energy (Δ G o), oscillator strength ( ƒ), transition dipole moment ( μ EN), resonance energy ( R N) and ionization potential ( I D). It is concluded that the formation constant ( KCT) of the complex is found to be depends upon the nature of both electron acceptor and donor and also on the polarity of solvents. Further the charge transfer molecular complex between picric acid and 1-Naphthylamine is stabilized by hydrogen bonding.

Analysis of spatial pseudodepolarizers in imaging systems

NASA Technical Reports Server (NTRS)

Mcguire, James P., Jr.; Chipman, Russell A.

1990-01-01

The objective of a number of optical instruments is to measure the intensity accurately without bias as to the incident polarization state. One method to overcome polarization bias in optical systems is the insertion of a spatial pseudodepolarizer. Both the degree of depolarization and image degradation (from the polarization aberrations of the pseudodepolarizer) are analyzed for two depolarizer designs: (1) the Cornu pseudodepolarizer, effective for linearly polarized light, and (2) the dual Babinet compensator pseudodepolarizer, effective for all incident polarization states. The image analysis uses a matrix formalism to describe the polarization dependence of the diffraction patterns and optical transfer function.

Sensitivity enhancement in whole-body natural abundance 13C spectroscopy using 13C/1H double-resonance techniques at 4 tesla.

PubMed

Bomsdorf, H; Röschmann, P; Wieland, J

1991-11-01

In vivo 13C spectroscopy experiments were performed using a whole-body MR system at a static field of 4 T. The main goal of the investigations was to evaluate the sensitivity increase achievable by means of 13C/1H double-resonance techniques at 4 T. Spectra from subcutaneous fat as well as muscle glycogen from the lower leg were acquired using frequency selective proton decoupling and the polarization transfer method SINEPT. With respect to measurements on subcutaneous fat, polarization transfer turned out to be more efficient than selective decoupling. About a fourfold enhancement in spectral peak intensity for the C = C line doublet of the unsaturated fatty acid chain was obtained. Combining polarization transfer with decoupling yielded a factor of 6 in signal amplitude. In contrast to that, the signal enhancement observed in measurements on the glycogen C-1 resonance was only around twofold. The lower efficiency is explained by fast T2 relaxation of the proton transition. A T2 value of about 3 ms was derived from the experimental data. Acquisition times as low as 3 min were realized for normal level glycogen in human calf muscle, enabling a time resolution adequate for dynamic studies on muscle glycogen depletion. Aspects of RF power absorption in tissue and the generally higher efficiency make polarization transfer methods preferable to selective decoupling in whole-body 13C spectroscopy at 4 T.

Radially polarized conical beam from an embedded etched fiber.

PubMed

Kalaidji, Djamel; Spajer, Michel; Marthouret, Nadège; Grosjean, Thierry

2009-06-15

We propose a method for producing a conical beam based on the lateral refraction of the TM(01) mode from a two-mode fiber after chemical etching of the cladding, and for controlling its radial polarization. The whole power of the guided mode is transferred to the refracted beam with low diffraction. Polarization control by a series of azimuthal detectors and a stress controller affords the transmission of a stabilized radial polarization through an optical fiber. A solid component usable for many applications has been obtained.

APC: A New Code for Atmospheric Polarization Computations

NASA Technical Reports Server (NTRS)

Korkin, Sergey V.; Lyapustin, Alexei I.; Rozanov, Vladimir V.

2014-01-01

A new polarized radiative transfer code Atmospheric Polarization Computations (APC) is described. The code is based on separation of the diffuse light field into anisotropic and smooth (regular) parts. The anisotropic part is computed analytically. The smooth regular part is computed numerically using the discrete ordinates method. Vertical stratification of the atmosphere, common types of bidirectional surface reflection and scattering by spherical particles or spheroids are included. A particular consideration is given to computation of the bidirectional polarization distribution function (BPDF) of the waved ocean surface.

Optics of short-pitch deformed-helix ferroelectric liquid crystals: Symmetries, exceptional points, and polarization-resolved angular patterns

NASA Astrophysics Data System (ADS)

Kiselev, Alexei D.; Chigrinov, Vladimir G.

2014-10-01

In order to explore electric-field-induced transformations of polarization singularities in the polarization-resolved angular (conoscopic) patterns emerging after deformed-helix ferroelectric liquid crystal (DHFLC) cells with subwavelength helix pitch, we combine the transfer matrix formalism with the results for the effective dielectric tensor of biaxial FLCs evaluated using an improved technique of averaging over distorted helical structures. Within the framework of the transfer matrix method, we deduce a number of symmetry relations and show that the symmetry axis of L lines (curves of linear polarization) is directed along the major in-plane optical axis which rotates under the action of the electric field. When the angle between this axis and the polarization plane of incident linearly polarized light is above its critical value, the C points (points of circular polarization) appear in the form of symmetrically arranged chains of densely packed star-monstar pairs. We also emphasize the role of phase singularities of a different kind and discuss the enhanced electro-optic response of DHFLCs near the exceptional point where the condition of zero-field isotropy is fulfilled.

POLARIZED LINE FORMATION IN NON-MONOTONIC VELOCITY FIELDS

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

Sampoorna, M.; Nagendra, K. N., E-mail: sampoorna@iiap.res.in, E-mail: knn@iiap.res.in

2016-12-10

For a correct interpretation of the observed spectro-polarimetric data from astrophysical objects such as the Sun, it is necessary to solve the polarized line transfer problems taking into account a realistic temperature structure, the dynamical state of the atmosphere, a realistic scattering mechanism (namely, the partial frequency redistribution—PRD), and the magnetic fields. In a recent paper, we studied the effects of monotonic vertical velocity fields on linearly polarized line profiles formed in isothermal atmospheres with and without magnetic fields. However, in general the velocity fields that prevail in dynamical atmospheres of astrophysical objects are non-monotonic. Stellar atmospheres with shocks, multi-componentmore » supernova atmospheres, and various kinds of wave motions in solar and stellar atmospheres are examples of non-monotonic velocity fields. Here we present studies on the effect of non-relativistic non-monotonic vertical velocity fields on the linearly polarized line profiles formed in semi-empirical atmospheres. We consider a two-level atom model and PRD scattering mechanism. We solve the polarized transfer equation in the comoving frame (CMF) of the fluid using a polarized accelerated lambda iteration method that has been appropriately modified for the problem at hand. We present numerical tests to validate the CMF method and also discuss the accuracy and numerical instabilities associated with it.« less

Sensitizing solid state nuclear magnetic resonance of dilute nuclei by spin-diffusion assisted polarization transfers.

PubMed

Lupulescu, Adonis; Frydman, Lucio

2011-10-07

Recent years have witnessed efforts geared at increasing the sensitivity of NMR experiments, by relying on the suitable tailoring and exploitation of relaxation phenomena. These efforts have included the use of paramagnetic agents, enhanced (1)H-(1)H incoherent and coherent transfers processes in 2D liquid state spectroscopy, and homonuclear (13)C-(13)C spin diffusion effects in labeled solids. The present study examines some of the opportunities that could open when exploiting spontaneous (1)H-(1)H spin-diffusion processes, to enhance relaxation and to improve the sensitivity of dilute nuclei in solid state NMR measurements. It is shown that polarization transfer experiments executed under sufficiently fast magic-angle-spinning conditions, enable a selective polarization of the dilute low-γ spins by their immediate neighboring protons. Repolarization of the latter can then occur during the time involved in monitoring the signal emitted by the low-γ nuclei. The basic features involved in the resulting approach, and its potential to improve the effective sensitivity of solid state NMR measurements on dilute nuclei, are analyzed. Experimental tests witness the advantages that could reside from utilizing this kind of approach over conventional cross-polarization processes. These measurements also highlight a number of limitations that will have to be overcome for transforming selective polarization transfers of this kind into analytical methods of choice. © 2011 American Institute of Physics

Solvent effects on the excited-state double proton transfer mechanism in the 7-azaindole dimer: a TDDFT study with the polarizable continuum model.

PubMed

Yu, Xue-Fang; Yamazaki, Shohei; Taketsugu, Tetsuya

2017-08-30

Solvent effects on the excited-state double proton transfer (ESDPT) mechanism in the 7-azaindole (7AI) dimer were investigated using the time-dependent density functional theory (TDDFT) method. Excited-state potential energy profiles along the reaction paths in a locally excited (LE) state and a charge transfer (CT) state were calculated using the polarizable continuum model (PCM) to include the solvent effect. A series of non-polar and polar solvents with different dielectric constants were used to examine the polarity effect on the ESDPT mechanism. The present results suggest that in a non-polar solvent and a polar solvent with a small dielectric constant, ESDPT follows a concerted mechanism, similar to the case in the gas phase. In a polar solvent with a relatively large dielectric constant, however, ESDPT is likely to follow a stepwise mechanism via a stable zwitterionic intermediate in the LE state on the adiabatic potential energy surface, although inclusion of zero-point vibrational energy (ZPE) corrections again suggests the concerted mechanism. In the meantime, the stepwise reaction path involving the CT state with neutral intermediates is also examined, and is found to be less competitive than the concerted or stepwise path in the LE state in both non-polar and polar solvents. The present study provides a new insight into the experimental controversy of the ESDPT mechanism of the 7AI dimer in a solution.

Many-body kinetics of dynamic nuclear polarization by the cross effect

NASA Astrophysics Data System (ADS)

Karabanov, A.; Wiśniewski, D.; Raimondi, F.; Lesanovsky, I.; Köckenberger, W.

2018-03-01

Dynamic nuclear polarization (DNP) is an out-of-equilibrium method for generating nonthermal spin polarization which provides large signal enhancements in modern diagnostic methods based on nuclear magnetic resonance. A particular instance is cross-effect DNP, which involves the interaction of two coupled electrons with the nuclear spin ensemble. Here we develop a theory for this important DNP mechanism and show that the nonequilibrium nuclear polarization buildup is effectively driven by three-body incoherent Markovian dissipative processes involving simultaneous state changes of two electrons and one nucleus. We identify different parameter regimes for effective polarization transfer and discuss under which conditions the polarization dynamics can be simulated by classical kinetic Monte Carlo methods. Our theoretical approach allows simulations of the polarization dynamics on an individual spin level for ensembles consisting of hundreds of nuclear spins. The insight obtained by these simulations can be used to find optimal experimental conditions for cross-effect DNP and to design tailored radical systems that provide optimal DNP efficiency.

Resonant polarization transfer from electron spins to nuclear spins-or to muon spins-in semiconductors

NASA Astrophysics Data System (ADS)

Henstra, A.; Wenckebach, W. Th.

1991-02-01

A review is given of newly developed pulsed Electron Spin Resonance (ESR) methods for dynamic polarization of nuclear spins. The application of two of these methods, Nuclear Orientation Via Electron spin Locking (NOVEL) and the Integrated Solid Effect (ISE), for the polarization of nuclear spins in semiconductors is discussed in more detail. It is proposed to use these methods to study the ESR spectrum of unpaired electrons in the vicinity of muons that are bound in a solid. Thus, ESR would be observed with a sensitivity which is enhanced by about ten orders of magnitude compared to conventional ESR.

Near-Field Magneto-Optical Microscope

DOEpatents

Vlasko-Vlasov, Vitalii; Welp, Ulrich; and Crabtree, George W.

2005-12-06

A device and method for mapping magnetic fields of a sample at a resolution less than the wavelength of light without altering the magnetic field of the sample is disclosed. A device having a tapered end portion with a magneto-optically active particle positioned at the distal end thereof in communication with a fiber optic for transferring incoming linearly polarized light from a source thereof to the particle and for transferring reflected light from the particle is provided. The fiber optic has a reflective material trapping light within the fiber optic and in communication with a light detector for determining the polarization of light reflected from the particle as a function of the strength and direction of the magnetic field of the sample. Linearly polarized light from the source thereof transferred to the particle positioned proximate the sample is affected by the magnetic field of the sample sensed by the particle such that the difference in polarization of light entering and leaving the particle is due to the magnetic field of the sample. Relative movement between the particle and sample enables mapping.

Near Field Magneto-Optical Microscope

DOEpatents

Vlasko-Vlasov, Vitalii K.; Welp, Ulrich; Crabtree, George W.

2005-12-06

A device and method for mapping magnetic fields of a sample at a resolution less than the wavelength of light without altering the magnetic field of the sample is disclosed. A device having a tapered end portion with a magneto-optically active particle positioned at the distal end thereof in communication with a fiber optic for transferring incoming linearly polarized light from a source thereof to the particle and for transferring reflected light from the particle is provided. The fiber optic has a reflective material trapping light within the fiber optic and in communication with a light detector for determining the polarization of light reflected from the particle as a function of the strength and direction of the magnetic field of the sample. Linearly polarized light from the source thereof transferred to the particle positioned proximate the sample is affected by the magnetic field of the sample sensed by the particle such that the difference in polarization of light entering and leaving the particle is due to the magnetic field of the sample. Relative movement between the particle and sample enables mapping.

Polarization Switching and Light-Enhanced Piezoelectricity in Lead Halide Perovskites.

PubMed

Coll, Mariona; Gomez, Andrés; Mas-Marza, Elena; Almora, Osbel; Garcia-Belmonte, Germà; Campoy-Quiles, Mariano; Bisquert, Juan

2015-04-16

We investigate the ferroelectric properties of photovoltaic methylammonium lead halide CH3NH3PbI3 perovskite using piezoelectric force microscopy (PFM) and macroscopic polarization methods. The electric polarization is clearly observed by amplitude and phase hysteresis loops. However, the polarization loop decreases as the frequency is lowered, persisting for a short time only, in the one second regime, indicating that CH3NH3PbI3 does not exhibit permanent polarization at room temperature. This result is confirmed by macroscopic polarization measurement based on a standard capacitive method. We have observed a strong increase of piezoelectric response under illumination, consistent with the previously reported giant photoinduced dielectric constant at low frequencies. We speculate that an intrinsic charge transfer photoinduced dipole in the perovskite cage may lie at the origin of this effect.

Photophysical study of some 3-benzoylmethyleneindol-2-ones and estimation of ground and excited states dipole moments from solvatochromic methods using solvent polarity parameters

NASA Astrophysics Data System (ADS)

Saroj, Manju K.; Sharma, Neera; Rastogi, Ramesh C.

2012-03-01

3-Benzoylmethyleneindol-2-ones, isatin based chalcones containing donor and acceptor moieties that exhibit excited-state intramolecular charge transfer, have been studied in different solvents by absorption and emission spectroscopy. The excited state behavior of these compounds is strongly dependent on the nature of substituents and the environment. These compounds show multiple emissions arising from a locally excited state and the two states due to intramolecular processes viz. intramolecular charge transfer (ICT) and excited state intramolecular proton transfer (ESIPT). Excited-state dipole moments have been calculated using Stoke-shifts of LE and ICT states using solvatochromic methods. The higher values of dipole moments obtained lead to support the formation of ICT state as one of the prominent species in the excited states of all 3-benzoylmethyleneindol-2-ones. The correlation of the solvatochromic Stokes-shifts with the microscopic solvent polarity parameter (ETN) was found to be superior to that obtained using bulk solvent polarity functions. The absorption and florescence spectral characteristics have been also investigated as a function of acidity and basicity (Ho/pH) in aqueous phase.

RADIATIVE TRANSFER MODELING OF THE ENIGMATIC SCATTERING POLARIZATION IN THE SOLAR Na i D{sub 1} LINE

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

Belluzzi, Luca; Bueno, Javier Trujillo; Degl’Innocenti, Egidio Landi

2015-12-01

The modeling of the peculiar scattering polarization signals observed in some diagnostically important solar resonance lines requires the consideration of the detailed spectral structure of the incident radiation field as well as the possibility of ground level polarization, along with the atom's hyperfine structure and quantum interference between hyperfine F-levels pertaining either to the same fine structure J-level, or to different J-levels of the same term. Here we present a theoretical and numerical approach suitable for solving this complex non-LTE radiative transfer problem. This approach is based on the density-matrix metalevel theory (where each level is viewed as a continuousmore » distribution of sublevels) and on accurate formal solvers of the transfer equations and efficient iterative methods. We show an application to the D-lines of Na i, with emphasis on the enigmatic D{sub 1} line, pointing out the observable signatures of the various physical mechanisms considered. We demonstrate that the linear polarization observed in the core of the D{sub 1} line may be explained by the effect that one gets when the detailed spectral structure of the anisotropic radiation responsible for the optical pumping is taken into account. This physical ingredient is capable of introducing significant scattering polarization in the core of the Na i D{sub 1} line without the need for ground-level polarization.« less

A New Polar Transfer Alignment Algorithm with the Aid of a Star Sensor and Based on an Adaptive Unscented Kalman Filter.

PubMed

Cheng, Jianhua; Wang, Tongda; Wang, Lu; Wang, Zhenmin

2017-10-23

Because of the harsh polar environment, the master strapdown inertial navigation system (SINS) has low accuracy and the system model information becomes abnormal. In this case, existing polar transfer alignment (TA) algorithms which use the measurement information provided by master SINS would lose their effectiveness. In this paper, a new polar TA algorithm with the aid of a star sensor and based on an adaptive unscented Kalman filter (AUKF) is proposed to deal with the problems. Since the measurement information provided by master SINS is inaccurate, the accurate information provided by the star sensor is chosen as the measurement. With the compensation of lever-arm effect and the model of star sensor, the nonlinear navigation equations are derived. Combined with the attitude matching method, the filter models for polar TA are designed. An AUKF is introduced to solve the abnormal information of system model. Then, the AUKF is used to estimate the states of TA. Results have demonstrated that the performance of the new polar TA algorithm is better than the state-of-the-art polar TA algorithms. Therefore, the new polar TA algorithm proposed in this paper is effectively to ensure and improve the accuracy of TA in the harsh polar environment.

A New Polar Transfer Alignment Algorithm with the Aid of a Star Sensor and Based on an Adaptive Unscented Kalman Filter

PubMed Central

Cheng, Jianhua; Wang, Tongda; Wang, Lu; Wang, Zhenmin

2017-01-01

Because of the harsh polar environment, the master strapdown inertial navigation system (SINS) has low accuracy and the system model information becomes abnormal. In this case, existing polar transfer alignment (TA) algorithms which use the measurement information provided by master SINS would lose their effectiveness. In this paper, a new polar TA algorithm with the aid of a star sensor and based on an adaptive unscented Kalman filter (AUKF) is proposed to deal with the problems. Since the measurement information provided by master SINS is inaccurate, the accurate information provided by the star sensor is chosen as the measurement. With the compensation of lever-arm effect and the model of star sensor, the nonlinear navigation equations are derived. Combined with the attitude matching method, the filter models for polar TA are designed. An AUKF is introduced to solve the abnormal information of system model. Then, the AUKF is used to estimate the states of TA. Results have demonstrated that the performance of the new polar TA algorithm is better than the state-of-the-art polar TA algorithms. Therefore, the new polar TA algorithm proposed in this paper is effectively to ensure and improve the accuracy of TA in the harsh polar environment. PMID:29065521

Polarization characteristics of inhomogeneous models of nonstationary light-scattering media

NASA Astrophysics Data System (ADS)

Smolinskii, E. S.; Petruk, V. G.; Lavreniuk, V. I.

1990-09-01

The optical parameters of monodisperse layers of MgO and turpentine black with different surface particle densities are investigated using a polarization spectrum extinction meter. A method for determining the volume density of a real nonstationary scattering and absorbing medium is proposed which is based on the transfer equations. Graphical and spectroanalytical data are presented which allow for various optical and physical factors. Polarization measurements of the layers are carried out, and scattering matrices are obtained.

Formal Solutions for Polarized Radiative Transfer. I. The DELO Family

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

Janett, Gioele; Carlin, Edgar S.; Steiner, Oskar

The discussion regarding the numerical integration of the polarized radiative transfer equation is still open and the comparison between the different numerical schemes proposed by different authors in the past is not fully clear. Aiming at facilitating the comprehension of the advantages and drawbacks of the different formal solvers, this work presents a reference paradigm for their characterization based on the concepts of order of accuracy , stability , and computational cost . Special attention is paid to understand the numerical methods belonging to the Diagonal Element Lambda Operator family, in an attempt to highlight their specificities.

Polarization impacts on the water-leaving radiance retrieval from above-water radiometric measurements.

PubMed

Harmel, Tristan; Gilerson, Alexander; Tonizzo, Alberto; Chowdhary, Jacek; Weidemann, Alan; Arnone, Robert; Ahmed, Sam

2012-12-10

Above-water measurements of water-leaving radiance are widely used for water-quality monitoring and ocean-color satellite data validation. Reflected skylight in above-water radiometry needs to be accurately estimated prior to derivation of water-leaving radiance. Up-to-date methods to estimate reflection of diffuse skylight on rough sea surfaces are based on radiative transfer simulations and sky radiance measurements. But these methods neglect the polarization state of the incident skylight, which is generally highly polarized. In this paper, the effects of polarization on the sea surface reflectance and the subsequent water-leaving radiance estimation are investigated. We show that knowledge of the polarization field of the diffuse skylight significantly improves above-water radiometry estimates, in particular in the blue part of the spectrum where the reflected skylight is dominant. A newly developed algorithm based on radiative transfer simulations including polarization is described. Its application to the standard Aerosol Robotic Network-Ocean Color and hyperspectral radiometric measurements of the 1.5-year dataset acquired at the Long Island Sound site demonstrates the noticeable importance of considering polarization for water-leaving radiance estimation. In particular it is shown, based on time series of collocated data acquired in coastal waters, that the azimuth range of measurements leading to good-quality data is significantly increased, and that these estimates are improved by more than 12% at 413 nm. Full consideration of polarization effects is expected to significantly improve the quality of the field data utilized for satellite data validation or potential vicarious calibration purposes.

The influence of polarization on box air mass factors for UV/vis nadir satellite observations

NASA Astrophysics Data System (ADS)

Hilboll, Andreas; Richter, Andreas; Rozanov, Vladimir V.; Burrows, John P.

2015-04-01

Tropospheric abundances of pollutant trace gases like, e.g., NO2, are often derived by applying the differential optical absorption spectroscopy (DOAS) method to space-borne measurements of back-scattered and reflected solar radiation. The resulting quantity, the slant column density (SCD), subsequently has to be converted to more easily interpretable vertical column densities by means of the so-called box air mass factor (BAMF). The BAMF describes the ratio of SCD and VCD within one atmospheric layer and is calculated by a radiative transfer model. Current operational and scientific data products of satellite-derived trace gas VCDs do not include the effect of polarization in their radiative transfer models. However, the various scattering processes in the atmosphere do lead to a distinctive polarization pattern of the observed Earthshine spectra. This study investigates the influence of these polarization patterns on box air mass factors for satellite nadir DOAS measurements of NO2 in the UV/vis wavelength region. NO2 BAMFs have been simulated for a multitude of viewing geometries, surface albedos, and surface altitudes, using the radiative transfer model SCIATRAN. The results show a potentially large influence of polarization on the BAMF, which can reach 10% and more close to the surface. A simple correction for this effect seems not to be feasible, as it strongly depends on the specific measurement scenario and can lead to both high and low biases of the resulting NO2 VCD. We therefore conclude that all data products of NO2 VCDs derived from space-borne DOAS measurements should include polarization effects in their radiative transfer model calculations, or at least include the errors introduced by using linear models in their uncertainty estimates.

Protein's electronic polarization contributes significantly to its catalytic function

NASA Astrophysics Data System (ADS)

Xiang, Yun; Duan, Lili; Zhang, John Z. H.

2011-05-01

Ab initio quantum mechanical/molecular mechanical method is combined with the polarized protein-specific charge to study the chemical reactions catalyzed by protein enzymes. Significant improvement in the accuracy and efficiency of free-energy simulation is demonstrated by calculating the free-energy profile of the primary proton transfer reaction in triosephosphate isomerase. Quantitative agreement with experimental results is achieved. Our simulation results indicate that electronic polarization makes important contribution to enzyme catalysis by lowering the energy barrier by as much as 3 kcal/mol.

A method to calculate Stokes parameters and angle of polarization of skylight from polarized CIMEL sun/sky radiometers

NASA Astrophysics Data System (ADS)

Li, L.; Li, Z.; Li, K.; Blarel, L.; Wendisch, M.

2014-12-01

The polarized CIMEL sun/sky radiometers have been routinely operated within the Sun/sky-radiometer Observation NETwork (SONET) in China and some sites of the AErosol RObotic NETwork (AERONET) around the world. However, the polarization measurements are not yet widely used due to in a certain degree the lack of Stokes parameters derived directly from these polarization measurements. Meanwhile, it have been shown that retrievals of several microphysical properties of aerosol particles can be significantly improved by using degree of linear polarization (DoLP) measurements of polarized CIMEL sun/sky radiometers (CE318-DP). The Stokes parameters Q and U, as well as angle of polarization (AoP) contain additional information about linear polarization and its orientation. A method to calculate Stokes parameters Q, U, and AoP from CE318-DP polarized skylight measurements is introduced in this study. A new polarized almucantar geometry based on CE318-DP is measured to illustrate abundant variation features of these parameters. The polarization parameters calculated in this study are consistent with previous results of DoLP and I, and also comparable to vector radiative transfer simulations.

Observations of cavity polaritons in one-dimensional photonic crystals containing a liquid-crystalline semiconductor based on perylene bisimide units

NASA Astrophysics Data System (ADS)

Sakata, T.; Suzuki, M.; Yamamoto, T.; Nakanishi, S.; Funahashi, M.; Tsurumachi, N.

2017-10-01

We investigated the optical transmission properties of one-dimensional photonic crystal (1D-PC) microcavity structures containing the liquid-crystalline (LC) perylene tetracarboxylic bisimide (PTCBI) derivative. We fabricated the microcavity structures for this study by two different methods and observed the cavity polaritons successfully in both samples. For one sample, since the PTCBI molecules were aligned in the cavity layer of the 1D-PC by utilizing a friction transfer method, vacuum Rabi splitting energy was strongly dependent on the polarization of the incident light produced by the peculiar optical features of the LC organic semiconductor. For the other sample, we did not utilize the friction transfer method and did not observe such polarization dependence. However, we did observe a relatively large Rabi splitting energy of 187 meV, probably due to the improvement of optical confinement effect.

Discontinuous Galerkin finite element methods for radiative transfer in spherical symmetry

NASA Astrophysics Data System (ADS)

Kitzmann, D.; Bolte, J.; Patzer, A. B. C.

2016-11-01

The discontinuous Galerkin finite element method (DG-FEM) is successfully applied to treat a broad variety of transport problems numerically. In this work, we use the full capacity of the DG-FEM to solve the radiative transfer equation in spherical symmetry. We present a discontinuous Galerkin method to directly solve the spherically symmetric radiative transfer equation as a two-dimensional problem. The transport equation in spherical atmospheres is more complicated than in the plane-parallel case owing to the appearance of an additional derivative with respect to the polar angle. The DG-FEM formalism allows for the exact integration of arbitrarily complex scattering phase functions, independent of the angular mesh resolution. We show that the discontinuous Galerkin method is able to describe accurately the radiative transfer in extended atmospheres and to capture discontinuities or complex scattering behaviour which might be present in the solution of certain radiative transfer tasks and can, therefore, cause severe numerical problems for other radiative transfer solution methods.

[Polarized light microscopy for evaluation of oocytes as a prognostic factor in the evolution of a cycle in assisted reproduction].

PubMed

González-Ortega, C; Cancino-Villarreal, P; Alonzo-Torres, V E; Martínez-Robles, I; Pérez-Peña, E; Gutiérrez-Gutiérrez, A M

2016-04-01

Identification of the best embryos to transfer is a key element for success in assisted reproduction. In the last decade, several morphological criteria of oocytes and embryos were evaluated with regard to their potential for predicting embryo viability. The introduction of polarization light microscopy systems has allowed the visualization of the meiotic spindle and the different layers of the zona pellucida in human oocytes on the basis of birefringence in a non-destructive way. Conflicting results have been reported regarding the predictive value in ICSI cycles. To assess the predictive ability of meiotic spindle and zona pellucida of human oocytes to implant by polarized microscopy in ICSI cycles. Prospective and observational clinical study. 903 oocytes from 94 ICSI cycles were analyzed with polarized microscopy. Meiotic spindle visualization and zona pellucida birefringence values by polarized microscopy were correlated with ICSI cycles results. Meiotic spindle visualization and birefringence values of zona pellucida decreased in a direct basis with increasing age. In patients aged over the 35 years, the percentage of a visible spindle and mean zona pellucida birefringence was lower than in younger patients. Fertilization rate were higher in oocytes with visible meiotic spindle (81.3% vs. 64%; p < 0.0001), as well as embryo quality (47.4% vs. 39%; p=0.01). Fertilization rate was higher in oocytes with positive values of birefringence (77.5 % vs. 68.5% p=0.005) with similar embryo quality. Conception cycles showed oocytes with higher mean value of zona birefringence and visible spindle vs. no-conception cycles (p<0.05). Polarized light microscopy improves oocyte selection, which significantly impacts in the development of embryos with greater implantation potential. The use of polarized light microscopy with sperm selection methods, blastocyst culture and deferred embryo transfers will contribute to transfer fewer embryos without diminishing rates of live birth and single embryo transfer will be more feasible.

Aerosol polarization effects on atmospheric correction and aerosol retrievals in ocean color remote sensing.

PubMed

Wang, Menghua

2006-12-10

The current ocean color data processing system for the Sea-viewing Wide Field-of-View Sensor (SeaWiFS) and the moderate resolution imaging spectroradiometer (MODIS) uses the Rayleigh lookup tables that were generated using the vector radiative transfer theory with inclusion of the polarization effects. The polarization effects, however, are not accounted for in the aerosol lookup tables for the ocean color data processing. I describe a study of the aerosol polarization effects on the atmospheric correction and aerosol retrieval algorithms in the ocean color remote sensing. Using an efficient method for the multiple vector radiative transfer computations, aerosol lookup tables that include polarization effects are generated. Simulations have been carried out to evaluate the aerosol polarization effects on the derived ocean color and aerosol products for all possible solar-sensor geometries and the various aerosol optical properties. Furthermore, the new aerosol lookup tables have been implemented in the SeaWiFS data processing system and extensively tested and evaluated with SeaWiFS regional and global measurements. Results show that in open oceans (maritime environment), the aerosol polarization effects on the ocean color and aerosol products are usually negligible, while there are some noticeable effects on the derived products in the coastal regions with nonmaritime aerosols.

Calibration of the degree of linear polarization measurements of the polarized Sun-sky radiometer based on the POLBOX system.

PubMed

Li, Zhengqiang; Li, Kaitao; Li, Li; Xu, Hua; Xie, Yisong; Ma, Yan; Li, Donghui; Goloub, Philippe; Yuan, Yinlin; Zheng, Xiaobing

2018-02-10

Polarization observation of sky radiation is the frontier approach to improve the remote sensing of atmospheric components, e.g., aerosol and clouds. The polarization calibration of the ground-based Sun-sky radiometer is the basis for obtaining accurate degree of linear polarization (DOLP) measurement. In this paper, a DOLP calibration method based on a laboratory polarized light source (POLBOX) is introduced in detail. Combined with the CE318-DP Sun-sky polarized radiometer, a calibration scheme for DOLP measurement is established for the spectral range of 440-1640 nm. Based on the calibration results of the Sun-sky radiometer observation network, the polarization calibration coefficient and the DOLP calibration residual are analyzed statistically. The results show that the DOLP residual of the calibration scheme is about 0.0012, and thus it can be estimated that the final DOLP calibration accuracy of this method is about 0.005. Finally, it is verified that the accuracy of the calibration results is in accordance with the expected results by comparing the simulated DOLP with the vector radiative transfer calculations.

First principles molecular dynamics of molten NaI: Structure, self-diffusion, polarization effects, and charge transfer

NASA Astrophysics Data System (ADS)

Galamba, N.; Costa Cabral, B. J.

2007-09-01

The structure and self-diffusion of NaI and NaCl at temperatures close to their melting points are studied by first principles Hellmann-Feynman molecular dynamics (HFMD). The results are compared with classical MD using rigid-ion (RI) and shell-model (ShM) interionic potentials. HFMD for NaCl was reported before at a higher temperature [N. Galamba and B. J. Costa Cabral, J. Chem. Phys. 126, 124502 (2007)]. The main differences between the structures predicted by HFMD and RI MD for NaI concern the cation-cation and the anion-cation pair correlation functions. A ShM which allows only for the polarization of I- reproduces the main features of the HFMD structure of NaI. The inclusion of polarization effects for both ionic species leads to a more structured ionic liquid, although a good agreement with HFMD is also observed. HFMD Green-Kubo self-diffusion coefficients are larger than those obtained from RI and ShM simulations. A qualitative study of charge transfer in molten NaI and NaCl was also carried out with the Hirshfeld charge partitioning method. Charge transfer in molten NaI is comparable to that in NaCl, and results for NaCl at two temperatures support the view that the magnitude of charge transfer is weakly state dependent for ionic systems. Finally, Hirshfeld charge distributions indicate that differences between RI and HFMD results are mainly related to polarization effects, while the influence of charge transfer fluctuations is minimal for these systems.

The PEPPo method for polarized positrons and PEPPo II

DOE PAGES

Cardman, Lawrence S.

2018-05-01

The Polarized Electrons for Polarized Positrons (PEPPo) experiment at the injector of the Continuous Electron Beam Accelerator Facility demonstrated for the first time the efficient transfer of polarization from electrons to positrons via a two-step process: polarized bremsstrahlung radiation is induced by a polarized electron beam in a high-Z target; then the polarized bremsstrahlung produces polarized positrons via the pair-production process in the same target. Positron polarization up to 82% was measured for an initial electron beam momentum of 8.19 MeV/c, limited only by the electron beam polarization of 85%. This technique extends polarized positron capabilities from GeV to MeVmore » electron beams, and opens access to polarized positron beam physics to a wide community. We present the results of the PEPPo experiment and outline tentative plans for a follow-up experiment that would investigate key aspects of an approach based on PEPPo as a polarized positron source for the 12 GeV Upgrade of CEBAF.« less

Achieving highly efficient and broad-angle polarization beam filtering using epsilon-near-zero metamaterials mimicked by metal-dielectric multilayers

NASA Astrophysics Data System (ADS)

Wu, Feng

2018-03-01

We report a highly efficient and broad-angle polarization beam filter at visible wavelengths using an anisotropic epsilon-near-zero metamaterial mimicked by a multilayer composed of alternative subwavelength magnesium fluoride and silver layers. The underlying physics can be explained by the dramatic difference between two orthogonal polarizations' iso-frequency curves of anisotropic epsilon-near-zero metamaterials. Transmittance for two orthogonal polarization waves and the polarization extinction ratio are calculated via the transfer matrix method to assess the comprehensive performance of the proposed polarization beam filter. From the simulation results, the proposed polarization beam filter is highly efficient (the polarization extinction ratio is far larger than two orders of magnitude) and has a broad operating angle range (ranging from 30° to 75°). Finally, we show that the proper tailoring of the periodic number enables us to obtain high comprehensive performance of the proposed polarization beam filter.

Method of calculating retroreflector-array transfer functions. [laser range finders

NASA Technical Reports Server (NTRS)

Arnold, D. A.

1978-01-01

Techniques and equations used in calculating the transfer functions to relate the observed return laser pulses to the center of mass of the Lageos satellite retroflector array, and for most of the retroreflector-equipped satellites now in orbit are described. The methods derived include the effects of coherent interference, diffraction, polarization, and dihedral-angle offsets. Particular emphasis is given to deriving expressions for the diffraction pattern and active reflecting area of various cube-corner designs.

Polarization Transfer in Proton Compton Scattering at High Momentum Transfer

NASA Astrophysics Data System (ADS)

Hamilton, D. J.; Mamyan, V. H.; Aniol, K. A.; Annand, J. R.; Bertin, P. Y.; Bimbot, L.; Bosted, P.; Calarco, J. R.; Camsonne, A.; Chang, G. C.; Chang, T.-H.; Chen, J.-P.; Choi, Seonho; Chudakov, E.; Danagoulian, A.; Degtyarenko, P.; de Jager, C. W.; Deur, A.; Dutta, D.; Egiyan, K.; Gao, H.; Garibaldi, F.; Gayou, O.; Gilman, R.; Glamazdin, A.; Glashausser, C.; Gomez, J.; Hansen, J.-O.; Hayes, D.; Higinbotham, D.; Hinton, W.; Horn, T.; Howell, C.; Hunyady, T.; Hyde-Wright, C. E.; Jiang, X.; Jones, M. K.; Khandaker, M.; Ketikyan, A.; Kubarovsky, V.; Kramer, K.; Kumbartzki, G.; Laveissière, G.; Lerose, J.; Lindgren, R. A.; Margaziotis, D. J.; Markowitz, P.; McCormick, K.; Meziani, Z.-E.; Michaels, R.; Moussiegt, P.; Nanda, S.; Nathan, A. M.; Nikolenko, D. M.; Nelyubin, V.; Norum, B. E.; Paschke, K.; Pentchev, L.; Perdrisat, C. F.; Piasetzky, E.; Pomatsalyuk, R.; Punjabi, V. A.; Rachek, I.; Radyushkin, A.; Reitz, B.; Roche, R.; Roedelbronn, M.; Ron, G.; Sabatie, F.; Saha, A.; Savvinov, N.; Shahinyan, A.; Shestakov, Y.; Širca, S.; Slifer, K.; Solvignon, P.; Stoler, P.; Tajima, S.; Sulkosky, V.; Todor, L.; Vlahovic, B.; Weinstein, L. B.; Wang, K.; Wojtsekhowski, B.; Voskanyan, H.; Xiang, H.; Zheng, X.; Zhu, L.

2005-06-01

Compton scattering from the proton was investigated at s=6.9 GeV2 and t=-4.0 GeV2 via polarization transfer from circularly polarized incident photons. The longitudinal and transverse components of the recoil proton polarization were measured. The results are in disagreement with a prediction of perturbative QCD based on a two-gluon exchange mechanism, but agree well with a prediction based on a reaction mechanism in which the photon interacts with a single quark carrying the spin of the proton.

A quantum mechanical-Poisson-Boltzmann equation approach for studying charge flow between ions and a dielectric continuum

NASA Astrophysics Data System (ADS)

Gogonea, Valentin; Merz, Kenneth M.

2000-02-01

This paper presents a theoretical model for the investigation of charge transfer between ions and a solvent treated as a dielectric continuum media. The method is a combination of a semiempirical effective Hamiltonian with a modified Poisson-Boltzmann equation which includes charge transfer in the form of a surface charge density positioned at the dielectric interface. The new Poisson-Boltzmann equation together with new boundary conditions results in a new set of equations for the electrostatic potential (or polarization charge densities). Charge transfer adds a new free energy component to the solvation free energy term, which accounts for all interactions between the transferred charge at the dielectric interface, the solute wave function and the solvent polarization charges. Practical calculations on a set of 19 anions and 17 cations demonstrate that charge exchange with a dielectric is present and it is in the range of 0.06-0.4 eu. Furthermore, the pattern of the magnitudes of charge transfer can be related to the acid-base properties of the ions in many cases, but exceptions are also found. Finally, we show that the method leads to an energy decomposition scheme of the total electrostatic energy, which can be used in mechanistic studies on protein and DNA interaction with water.

Designing dipolar recoupling and decoupling experiments for biological solid-state NMR using interleaved continuous wave and RF pulse irradiation.

PubMed

Bjerring, Morten; Jain, Sheetal; Paaske, Berit; Vinther, Joachim M; Nielsen, Niels Chr

2013-09-17

Rapid developments in solid-state NMR methodology have boosted this technique into a highly versatile tool for structural biology. The invention of increasingly advanced rf pulse sequences that take advantage of better hardware and sample preparation have played an important part in these advances. In the development of these new pulse sequences, researchers have taken advantage of analytical tools, such as average Hamiltonian theory or lately numerical methods based on optimal control theory. In this Account, we focus on the interplay between these strategies in the systematic development of simple pulse sequences that combines continuous wave (CW) irradiation with short pulses to obtain improved rf pulse, recoupling, sampling, and decoupling performance. Our initial work on this problem focused on the challenges associated with the increasing use of fully or partly deuterated proteins to obtain high-resolution, liquid-state-like solid-state NMR spectra. Here we exploit the overwhelming presence of (2)H in such samples as a source of polarization and to gain structural information. The (2)H nuclei possess dominant quadrupolar couplings which complicate even the simplest operations, such as rf pulses and polarization transfer to surrounding nuclei. Using optimal control and easy analytical adaptations, we demonstrate that a series of rotor synchronized short pulses may form the basis for essentially ideal rf pulse performance. Using similar approaches, we design (2)H to (13)C polarization transfer experiments that increase the efficiency by one order of magnitude over standard cross polarization experiments. We demonstrate how we can translate advanced optimal control waveforms into simple interleaved CW and rf pulse methods that form a new cross polarization experiment. This experiment significantly improves (1)H-(15)N and (15)N-(13)C transfers, which are key elements in the vast majority of biological solid-state NMR experiments. In addition, we demonstrate how interleaved sampling of spectra exploiting polarization from (1)H and (2)H nuclei can substantially enhance the sensitivity of such experiments. Finally, we present systematic development of (1)H decoupling methods where CW irradiation of moderate amplitude is interleaved with strong rotor-synchronized refocusing pulses. We show that these sequences remove residual cross terms between dipolar coupling and chemical shielding anisotropy more effectively and improve the spectral resolution over that observed in current state-of-the-art methods.

Microtesla SABRE enables 10% nitrogen-15 nuclear spin polarization.

PubMed

Theis, Thomas; Truong, Milton L; Coffey, Aaron M; Shchepin, Roman V; Waddell, Kevin W; Shi, Fan; Goodson, Boyd M; Warren, Warren S; Chekmenev, Eduard Y

2015-02-04

Parahydrogen is demonstrated to efficiently transfer its nuclear spin hyperpolarization to nitrogen-15 in pyridine and nicotinamide (vitamin B(3) amide) by conducting "signal amplification by reversible exchange" (SABRE) at microtesla fields within a magnetic shield. Following transfer of the sample from the magnetic shield chamber to a conventional NMR spectrometer, the (15)N NMR signals for these molecules are enhanced by ∼30,000- and ∼20,000-fold at 9.4 T, corresponding to ∼10% and ∼7% nuclear spin polarization, respectively. This method, dubbed "SABRE in shield enables alignment transfer to heteronuclei" or "SABRE-SHEATH", promises to be a simple, cost-effective way to hyperpolarize heteronuclei. It may be particularly useful for in vivo applications because of longer hyperpolarization lifetimes, lack of background signal, and facile chemical-shift discrimination of different species.

Microtesla SABRE Enables 10% Nitrogen-15 Nuclear Spin Polarization

PubMed Central

2016-01-01

Parahydrogen is demonstrated to efficiently transfer its nuclear spin hyperpolarization to nitrogen-15 in pyridine and nicotinamide (vitamin B3 amide) by conducting “signal amplification by reversible exchange” (SABRE) at microtesla fields within a magnetic shield. Following transfer of the sample from the magnetic shield chamber to a conventional NMR spectrometer, the 15N NMR signals for these molecules are enhanced by ∼30,000- and ∼20,000-fold at 9.4 T, corresponding to ∼10% and ∼7% nuclear spin polarization, respectively. This method, dubbed “SABRE in shield enables alignment transfer to heteronuclei” or “SABRE-SHEATH”, promises to be a simple, cost-effective way to hyperpolarize heteronuclei. It may be particularly useful for in vivo applications because of longer hyperpolarization lifetimes, lack of background signal, and facile chemical-shift discrimination of different species. PMID:25583142

Viscosity induced emission of red-emitting NLOphoric coumarin morpholine-thiazole hybrid styryl dyes as FMRs: Consolidated experimental and theoretical approach

NASA Astrophysics Data System (ADS)

Avhad, Kiran C.; Patil, Dinesh S.; Chitrambalam, S.; Sreenath, M. C.; Joe, I. Hubert; Sekar, Nagaiyan

2018-05-01

Four new coumarin hybrid styryl dyes are synthesized by condensing 4-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-morpholinothiazole-5-carbaldehyde with dicyanovinylene containing active methylene intermediates and their linear and non-linear optical properties are studied. The dye having dicyanovinylene-isophorone acceptor displayed a large Stokes shift of 3702-4795 cm-1 in non-polar to polar solvent respectively. The dyes exhibit a good charge transfer characteristics and positive emission solvatochromism (∼50 nm-72 nm) in non-polar to a polar solvent which is well supported by multi-linear regression analysis. Viscosity induced enhancement study in ethanol/polyethylene glycol-400 system shows 2.71-6.78 fold increase in emission intensity. The intra and twisted-intramolecular charge transfer (ICT-TICT) characteristics were established using emission solvatochromism, polarity plots, generalised Mullikan-Hush (GMH) analysis and optimized geometry. A dye having the highest charge transfer dipole moment relatively possess the maximum two-photon absorption cross-section area (KK-1 = 165-207 GM) which was established using theoretical two-level model. The NLO properties have been investigated employing solvatochromic and computational methods and were found to be directly proportional to the polarity of the solvent. Z-scan results reveal that the dyes KK-1 and KK-2 possesses reverse saturable kind of behaviour whereas KK-3 and KK-4 show saturable kind of behaviour. From the experimental and theoretical data, these coumarin thiazole hybrid dyes can be considered as promising candidates for FMR and NLOphores.

Relaxation-optimized transfer of spin order in Ising spin chains

NASA Astrophysics Data System (ADS)

Stefanatos, Dionisis; Glaser, Steffen J.; Khaneja, Navin

2005-12-01

In this paper, we present relaxation optimized methods for the transfer of bilinear spin correlations along Ising spin chains. These relaxation optimized methods can be used as a building block for the transfer of polarization between distant spins on a spin chain, a problem that is ubiquitous in multidimensional nuclear magnetic resonance spectroscopy of proteins. Compared to standard techniques, significant reduction in relaxation losses is achieved by these optimized methods when transverse relaxation rates are much larger than the longitudinal relaxation rates and comparable to couplings between spins. We derive an upper bound on the efficiency of the transfer of the spin order along a chain of spins in the presence of relaxation and show that this bound can be approached by the relaxation optimized pulse sequences presented in the paper.

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.

The Physics of Polarization

NASA Astrophysics Data System (ADS)

Landi Degl'Innocenti, Egidio

2015-10-01

The introductory lecture that has been delivered at this Symposium is a condensed version of an extended course held by the author at the XII Canary Island Winter School from November 13 to November 21, 2000. The full series of lectures can be found in Landi Degl'Innocenti (2002). The original reference is organized in 20 Sections that are here itemized: 1. Introduction, 2. Description of polarized radiation, 3. Polarization and optical devices: Jones calculus and Muller matrices, 4. The Fresnel equations, 5. Dichroism and anomalous dispersion, 6. Polarization in everyday life, 7. Polarization due to radiating charges, 8. The linear antenna, 9. Thomson scattering, 10. Rayleigh scattering, 11. A digression on Mie scattering, 12. Bremsstrahlung radiation, 13. Cyclotron radiation, 14. Synchrotron radiation, 15. Polarization in spectral lines, 16. Density matrix and atomic polarization, 17. Radiative transfer and statistical equilibrium equations, 18. The amplification condition in polarized radiative transfer, and 19. Coupling radiative transfer and statistical equilibrium equations.

IPRT polarized radiative transfer model intercomparison project - Three-dimensional test cases (phase B)

NASA Astrophysics Data System (ADS)

Emde, Claudia; Barlakas, Vasileios; Cornet, Céline; Evans, Frank; Wang, Zhen; Labonotte, Laurent C.; Macke, Andreas; Mayer, Bernhard; Wendisch, Manfred

2018-04-01

Initially unpolarized solar radiation becomes polarized by scattering in the Earth's atmosphere. In particular molecular scattering (Rayleigh scattering) polarizes electromagnetic radiation, but also scattering of radiation at aerosols, cloud droplets (Mie scattering) and ice crystals polarizes. Each atmospheric constituent produces a characteristic polarization signal, thus spectro-polarimetric measurements are frequently employed for remote sensing of aerosol and cloud properties. Retrieval algorithms require efficient radiative transfer models. Usually, these apply the plane-parallel approximation (PPA), assuming that the atmosphere consists of horizontally homogeneous layers. This allows to solve the vector radiative transfer equation (VRTE) efficiently. For remote sensing applications, the radiance is considered constant over the instantaneous field-of-view of the instrument and each sensor element is treated independently in plane-parallel approximation, neglecting horizontal radiation transport between adjacent pixels (Independent Pixel Approximation, IPA). In order to estimate the errors due to the IPA approximation, three-dimensional (3D) vector radiative transfer models are required. So far, only a few such models exist. Therefore, the International Polarized Radiative Transfer (IPRT) working group of the International Radiation Commission (IRC) has initiated a model intercomparison project in order to provide benchmark results for polarized radiative transfer. The group has already performed an intercomparison for one-dimensional (1D) multi-layer test cases [phase A, 1]. This paper presents the continuation of the intercomparison project (phase B) for 2D and 3D test cases: a step cloud, a cubic cloud, and a more realistic scenario including a 3D cloud field generated by a Large Eddy Simulation (LES) model and typical background aerosols. The commonly established benchmark results for 3D polarized radiative transfer are available at the IPRT website (http://www.meteo.physik.uni-muenchen.de/ iprt).

Polarization Transfer in Proton Compton Scattering at High Momentum Transfer

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

D.J. Hamilton; Vahe Mamyan

2004-10-01

Compton scattering from the proton was investigated at s = 6.9 GeV{sup 2} and t = -4.0 TeV{sup 2} via polarization transfer from circularly polarized incident photons. The longitudinal and transverse components of the recoil proton polarization were measured. The results are in excellent agreement with a prediction based on a reaction mechanism in which the photon interacts with a single quark carrying the spin of the proton and in disagreement with a prediction of pQCD based on a two-gluon exchange mechanism.

Evidence for Coherent Transfer of para-Hydrogen-Induced Polarization at Low Magnetic Fields.

PubMed

Kiryutin, Alexey S; Yurkovskaya, Alexandra V; Kaptein, Robert; Vieth, Hans-Martin; Ivanov, Konstantin L

2013-08-01

We have investigated the mechanism of para-hydrogen-induced polarization (PHIP) transfer from the original strongly aligned protons to other nuclei at low external magnetic fields. Although it is known that PHIP is efficiently transferred at low fields, the nature of the transfer mechanism, that is, coherent spin mixing or cross-relaxation, is not well established. Polarization transfer kinetics for individual protons of styrene was, for the first time, measured and modeled theoretically. Pronounced oscillations were observed indicating a coherent transfer mechanism. Spin coherences were excited by passing through an avoided level crossing of the nuclear spin energy levels. Transfer at avoided level crossings is selective with respect to spin order. Our work provides evidence that the coherent PHIP transfer mechanism is dominant at low magnetic fields.

Para-hydrogen induced polarization without incorporation of para-hydrogen into the analyte.

PubMed

Atkinson, Kevin D; Cowley, Michael J; Duckett, Simon B; Elliott, Paul I P; Green, Gary G R; López-Serrano, Joaquín; Khazal, Iman G; Whitwood, Adrian C

2009-01-19

The cationic iridium complexes [Ir(COD)(PR3)2]BF4 (1a-c) (a, R = Ph; b, R = p-tolyl; c, R = p-C6H4-OMe) react with parahydrogen in the presence of pyridine to give trans, cis, cis-[Ir(PR3)2(py)2(H)2]+ (2a-c) and small amounts of fac, cis-[Ir(PR3)(py)3(H)2]+ (3a-c), each of which exhibit polarized hydride resonances due to the magnetic inequivalence associated with the resultant AA"XX" spin system when 15N-labeled pyridine is employed. The pyridine ligands in 2 are labile, exchanging slowly into free pyridine with a rate constant of 0.4 s(-1) for 2a at 335 K in a dissociative process where DeltaH(double dagger) = 134 +/- 1 kJ mol(-1) and DeltaS(double dagger) = 151 +/- 5 J mol(-1) K(-1). Pyridine ligand exchange in 2 proves to be slower than that determined for 3. Parahydrogen induced polarization (PHIP) based on the hydride ligands of 2 and 3 is transferred efficiently to the 15N nuclei of the bound pyridine ligand by suitable insensitive-nuclei-enhanced-by-polarization-transfer (INEPT) based procedures. Related methods are then used to facilitate the sensitization of the free pyridine 15N signal by a factor of 120-fold through ligand exchange even though this substrate does not contain parahydrogen. This therefore corresponds to the successful polarization of an analyte by parahydrogen induced polarization methods without the need for the actual chemical incorporation of any parahydrogen derived nuclei into it.

Virtues of Polarization in Remote Sensing of Atmospheres and Oceans

NASA Astrophysics Data System (ADS)

Kattawar, G. W.

2007-12-01

Polarization of skylight has been used for navigation by many insects and ocean organisms for millions of years. In fact, some marine organisms rely on polarization vision for their very existence. However, the use of polarization in remote sensing is just now becoming a powerful tool in many areas of science such as in the detection of cancerous skin lesions, bioaerosols (such as anthrax), hydrosols in the ocean, and plant diseases, just to mention a few. We will first introduce the Stokes parameter-Mueller matrix formalism and discuss ways to measure the elements of both. Several methods will be discussed to show how a combination of polarimetric quantities can be mapped to improve contrast by the human visual system when ordinary radiance measurements fail to do so. These ideas will be extended into the multiple scattering domain where we will introduce an "effective Mueller matrix" and see the benefits arising from it. One of the primary reasons for inclusion of polarization in the equation of transfer is that it is the only correct way to do radiative transfer. We will then conclude with areas of future research that will surely lead to even more striking applications.

[Determination of several antibiotics using voltamperometry at the interface of nitrobenzene and water].

PubMed

Koryta, I; Kozlov, Iu N; Gofmanova, A; Khalil, V; Vanysek, P

1983-11-01

A new electroanalytical method of voltamperometry at the interface of two immiscible electrolyte solutions (ITIES) is based on electrochemical polarization of a liquid/liquid interface. The resulting current voltage characteristics completely resemble those obtained with metallic electrodes. The charge transfer processes are either the direct ion transfer across the ITIES or the transfer facilitated by macrocyclic ionophores. Determination of tetracycline antibiotics is based on the direct transfer of the cationic forms of these substances in acid media. Determination of valinomycin, nonactin and monensin acting as ion carriers is connected with the facilitated alkali metal ion transfer. In general, antibiotic concentrations higher than 0.02-0.05 mmol/l can be determined with this method. Monensin can also be determined in the extracts of Streptomyces cinnamonensis.

Complete spatiotemporal characterization and optical transfer matrix inversion of a 420 mode fiber.

PubMed

Carpenter, Joel; Eggleton, Benjamin J; Schröder, Jochen

2016-12-01

The ability to measure a scattering medium's optical transfer matrix, the mapping between any spatial input and output, has enabled applications such as imaging to be performed through media which would otherwise be opaque due to scattering. However, the scattering of light occurs not just in space, but also in time. We complete the characterization of scatter by extending optical transfer matrix methods into the time domain, allowing any spatiotemporal input state at one end to be mapped directly to its corresponding spatiotemporal output state. We have measured the optical transfer function of a multimode fiber in its entirety; it consists of 420 modes in/out at 32768 wavelengths, the most detailed complete characterization of multimode waveguide light propagation to date, to the best of our knowledge. We then demonstrate the ability to generate any spatial/polarization state at the output of the fiber at any wavelength, as well as predict the temporal response of any spatial/polarization input state.

[The Effect of Observation Geometry on Polarized Skylight Spectrum].

PubMed

Zhang, Ren-bin; Wang, Ling-mei; Gao, Jun; Wang, Chi

2015-03-01

Study on polarized skylight spectral characters while observation geometry changing in different solar zenith angles (SZA), viewing zenith angles (VZA) or relative azimuth angles (RAA). Simulation calculation of cloudless daylight polarimetric spectrum is realized based on the solver, vector discrete ordinate method, of radiative transfer equation. In the Sun's principal and perpendicular plane, the spectral irradiance data, varying at wavelengths in the range between 0.4 and 3 μm, are calculated to extend the atmospheric polarization spectral information under the conditions: the MODTRAN solar reference spectrur is the only illuminant source; the main influencing factors of polarized radiative transfer include underlying surface albedo, aerosol layers and components, and the absorption of trace gases. Simulation analysis results: (1) While the relative azimuth angle is zero, the magnitude of spectrum U/I is lower than 10(-7) and V/I is negligible, the degree of polarization and the spectrum Q/I are shaped like the letter V or mirror-writing U. (2) In twilight, when the Sun is not in FOV of the detector, the polarization of the daytime sky has two maximum near 0.51 and 2.75 μm, and a minimum near 1.5 μm. For arbitrary observation geometry, the spectral signal of V/I may be ignored. According to observation geometry, choosing different spectral bands or polarized signal will be propitious to targets detection.

Excited State Charge Transfer reaction with dual emission from 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile: Spectral measurement and theoretical density functional theory calculation

NASA Astrophysics Data System (ADS)

Jana, Sankar; Dalapati, Sasanka; Ghosh, Shalini; Kar, Samiran; Guchhait, Nikhil

2011-07-01

The excited state intramolecular charge transfer process in donor-chromophore-acceptor system 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile (DMAPPDN) has been investigated by steady state absorption and emission spectroscopy in combination with Density Functional Theory (DFT) calculations. This flexible donor acceptor molecule DMAPPDN shows dual fluorescence corresponding to emission from locally excited and charge transfer state in polar solvent. Large solvatochromic emission shift, effect of variation of pH and HOMO-LUMO molecular orbital pictures support excited state intramolecular charge transfer process. The experimental findings have been correlated with the calculated structure and potential energy surfaces based on the Twisted Intramolecular Charge Transfer (TICT) model obtained at DFT level using B3LYP functional and 6-31+G( d, p) basis set. The theoretical potential energy surfaces for the excited states have been generated in vacuo and acetonitrile solvent using Time Dependent Density Functional Theory (TDDFT) and Time Dependent Density Functional Theory Polarized Continuum Model (TDDFT-PCM) method, respectively. All the theoretical results show well agreement with the experimental observations.

POLARIZED LINE FORMATION IN MOVING ATMOSPHERES WITH PARTIAL FREQUENCY REDISTRIBUTION AND A WEAK MAGNETIC FIELD

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

Sampoorna, M.; Nagendra, K. N., E-mail: sampoorna@iiap.res.in, E-mail: knn@iiap.res.in

2015-10-10

The dynamical state of the solar and stellar atmospheres depends on the macroscopic velocity fields prevailing within them. The presence of such velocity fields in the line formation regions strongly affects the polarized radiation field emerging from these atmospheres. Thus it becomes necessary to solve the radiative transfer equation for polarized lines in moving atmospheres. Solutions based on the “observer’s frame method” are computationally expensive to obtain, especially when partial frequency redistribution (PRD) in line scattering and large-amplitude velocity fields are taken into account. In this paper we present an efficient alternative method of solution, namely, the comoving frame technique,more » to solve the polarized PRD line formation problems in the presence of velocity fields. We consider one-dimensional planar isothermal atmospheres with vertical velocity fields. We present a study of the effect of velocity fields on the emergent linear polarization profiles formed in optically thick moving atmospheres. We show that the comoving frame method is far superior when compared to the observer’s frame method in terms of the computational speed and memory requirements.« less

An analytical model for the celestial distribution of polarized light, accounting for polarization singularities, wavelength and atmospheric turbidity

NASA Astrophysics Data System (ADS)

Wang, Xin; Gao, Jun; Fan, Zhiguo; Roberts, Nicholas W.

2016-06-01

We present a computationally inexpensive analytical model for simulating celestial polarization patterns in variable conditions. We combine both the singularity theory of Berry et al (2004 New J. Phys. 6 162) and the intensity model of Perez et al (1993 Sol. Energy 50 235-245) such that our single model describes three key sets of data: (1) the overhead distribution of the degree of polarization as well as the existence of neutral points in the sky; (2) the change in sky polarization as a function of the turbidity of the atmosphere; and (3) sky polarization patterns as a function of wavelength, calculated in this work from the ultra-violet to the near infra-red. To verify the performance of our model we generate accurate reference data using a numerical radiative transfer model and statistical comparisons between these two methods demonstrate no significant difference in almost all situations. The development of our analytical model provides a novel method for efficiently calculating the overhead skylight polarization pattern. This provides a new tool of particular relevance for our understanding of animals that use the celestial polarization pattern as a source of visual information.

Orbital Engineering in Symmetry-Breaking Polar Heterostructures

NASA Astrophysics Data System (ADS)

Disa, Ankit S.; Kumah, Divine P.; Malashevich, Andrei; Chen, Hanghui; Arena, Dario A.; Specht, Eliot D.; Ismail-Beigi, Sohrab; Walker, F. J.; Ahn, Charles H.

2015-01-01

We experimentally demonstrate a novel approach to substantially modify orbital occupations and symmetries in electronically correlated oxides. In contrast to methods using strain or confinement, this orbital tuning is achieved by exploiting charge transfer and inversion symmetry breaking using atomically layered heterostructures. We illustrate the technique in the LaTiO3-LaNiO3-LaAlO3 system; a combination of x-ray absorption spectroscopy and ab initio theory reveals electron transfer and concomitant polar fields, resulting in a ˜50 % change in the occupation of Ni d orbitals. This change is sufficiently large to remove the orbital degeneracy of bulk LaNiO3 and creates an electronic configuration approaching a single-band Fermi surface. Furthermore, we theoretically show that such three-component heterostructuring is robust and tunable by choice of insulator in the heterostructure, providing a general method for engineering orbital configurations and designing novel electronic systems.

Simultaneously 'pushing' and 'pulling' graphene oxide into low-polar solvents through a designed interface.

PubMed

Liu, Zhen; Liu, Jingquan; Wang, Yichao; Razal, Joselito M; Francis, Paul S; Biggs, Mark J; Barrow, Colin J; Yang, Wenrong

2018-08-03

Dispersing graphene oxide (GO) in low-polar solvents can realize a perfect self-assembly with functional molecules and application in removal of organic impurities that only dissolve in low-polar solvents. The surface chemistry of GO plays an important role in its dispersity in these solvents. The direct transfer of hydrophilic GO into low-polar solvents, however, has remained an experimental challenge. In this study, we design an interface to transfer GO by simultaneously 'pushing and pulling' the nanosheets into low-polar solvents. Our approach is outstanding due to the ability to obtain monolayers of chemically reduced GO (CRGO) with designed surface properties in the organic phase. Using the transferred GO or CRGO dispersions, we have fabricated GO/fullerene nanocomposites and assessed the ability of CRGOs for dye adsorption. We hope our work can provide a universal approach for the phase transfer of other nanomaterials.

PRESTO polarization transfer to quadrupolar nuclei: Implications for dynamic nuclear polarization

DOE PAGES

Perras, Frederic A.; Kobayashi, Takeshi; Pruski, Marek

2015-08-04

In this study, we show both experimentally and numerically on a series of model systems that in experiments involving transfer of magnetization from 1H to the quadrupolar nuclei under magic-angle-spinning (MAS), the PRESTO technique consistently outperforms traditionally used cross polarization (CP), affording more quantitative intensities, improved lineshapes, better overall sensitivity, and straightforward optimization. This advantage derives from the fact that PRESTO circumvents the convoluted and uncooperative spin dynamics during the CP transfer under MAS, by replacing the spin-locking of quadrupolar nuclei with a single central transition selective 90° pulse and using a symmetry-based recoupling sequence in the 1H channel. Thismore » is important in the context of dynamic nuclear polarization (DNP) NMR of quadrupolar nuclei, where the efficient transfer of enhanced 1H polarization is desired to obtain the highest sensitivity.« less

Assessment of polarization effect on aerosol retrievals from MODIS

NASA Astrophysics Data System (ADS)

Korkin, S.; Lyapustin, A.

2010-12-01

Light polarization affects the total intensity of scattered radiation. In this work, we compare aerosol retrievals performed by code MAIAC [1] with and without taking polarization into account. The MAIAC retrievals are based on the look-up tables (LUT). For this work, MAIAC was run using two different LUTs, the first one generated using the scalar code SHARM [2], and the second one generated with the vector code Modified Vector Discrete Ordinates Method (MVDOM). MVDOM is a new code suitable for computations with highly anisotropic phase functions, including cirrus clouds and snow [3]. To this end, the solution of the vector radiative transfer equation (VRTE) is represented as a sum of anisotropic and regular components. The anisotropic component is evaluated in the Small Angle Modification of the Spherical Harmonics Method (MSH) [4]. The MSH is formulated in the frame of reference of the solar beam where z-axis lies along the solar beam direction. In this case, the MSH solution for anisotropic part is nearly symmetric in azimuth, and is computed analytically. In scalar case, this solution coincides with the Goudsmit-Saunderson small-angle approximation [5]. To correct for an analytical separation of the anisotropic part of the signal, the transfer equation for the regular part contains a correction source function term [6]. Several examples of polarization impact on aerosol retrievals over different surface types will be presented. 1. Lyapustin A., Wang Y., Laszlo I., Kahn R., Korkin S., Remer L., Levy R., and Reid J. S. Multi-Angle Implementation of Atmospheric Correction (MAIAC): Part 2. Aerosol Algorithm. J. Geophys. Res., submitted (2010). 2. Lyapustin A., Muldashev T., Wang Y. Code SHARM: fast and accurate radiative transfer over spatially variable anisotropic surfaces. In: Light Scattering Reviews 5. Chichester: Springer, 205 - 247 (2010). 3. Budak, V.P., Korkin S.V. On the solution of a vectorial radiative transfer equation in an arbitrary three-dimensional turbid medium with anisotropic scattering. JQSRT, 109, 220-234 (2008). 4. Budak V.P., Sarmin S.E. Solution of radiative transfer equation by the method of spherical harmonics in the small angle modification. Atmospheric and Oceanic Optics, 3, 898-903 (1990). 5. Goudsmit S., Saunderson J.L. Multiple scattering of electrons. Phys. Rev., 57, 24-29 (1940). 6. Budak V.P, Klyuykov D.A., Korkin S.V. Convergence acceleration of radiative transfer equation solution at strongly anisotropic scattering. In: Light Scattering Reviews 5. Chichester: Springer, 147 - 204 (2010).

Broadband working-waveband-tunable polarization converter based on anisotropic metasurface

NASA Astrophysics Data System (ADS)

Lin, Yu; Wang, Lei; Gao, Jun; Lu, Yichao; Jiang, Suhua; Zeng, Wei

2017-03-01

We experimentally and theoretically demonstrate an ultrathin, broadband, and highly efficient metamaterial-based polarization converter with a metasurface/insulator/metal (MIM) configuration. In such a system, the resonance undergoes a transition from a vertical Fabry-Pérot type to a transverse type as the spacer thickness decreases. By changing the spacer thickness from 1 to 15 mm, the working waveband of this device could be tuned from 10.9-12.9 to 6-8 GHz without compromising the polarization conversion efficiency. Equivalent circuit theory and the transfer matrix method are used for demonstrating the physical mechanism of our device.

A Unified Theory for the Blue- and Red-Shifting Phenomena in Hydrogen and Halogen Bonds.

PubMed

Wang, Changwei; Danovich, David; Shaik, Sason; Mo, Yirong

2017-04-11

Typical hydrogen and halogen bonds exhibit red-shifts of their vibrational frequencies upon the formation of hydrogen and halogen bonding complexes (denoted as D···Y-A, Y = H and X). The finding of blue-shifts in certain complexes is of significant interest, which has led to numerous studies of the origins of the phenomenon. Because charge transfer mixing (i.e., hyperconjugation in bonding systems) has been regarded as one of the key forces, it would be illuminating to compare the structures and vibrational frequencies in bonding complexes with the charge transfer effect "turned on" and "turned off". Turning off the charge transfer mixing can be achieved by employing the block-localized wave function (BLW) method, which is an ab initio valence bond (VB) method. Further, with the BLW method, the overall stability gained in the formation of a complex can be analyzed in terms of a few physically meaningful terms. Thus, the BLW method provides a unified and physically lucid way to explore the nature of red- and blue-shifting phenomena in both hydrogen and halogen bonding complexes. In this study, a direct correlation between the total stability and the variation of the Y-A bond length is established based on our BLW computations, and the consistent roles of all energy components are clarified. The n(D) → σ*(Y-A) electron transfer stretches the Y-A bond, while the polarization due to the approach of interacting moieties reduces the HOMO-LUMO gap and results in a stronger orbital mixing within the YA monomer. As a consequence, both the charge transfer and polarization stabilize bonding systems with the Y-A bond stretched and red-shift the vibrational frequency of the Y-A bond. Notably, the energy of the frozen wave function is the only energy component which prefers the shrinking of the Y-A bond and thus is responsible for the associated blue-shifting. The total variations of the Y-A bond length and the corresponding stretching vibrational frequency are thus determined by the competition between the frozen-energy term and the sum of polarization and charge transfer energy terms. Because the frozen energy is composed of electrostatic and Pauli exchange interactions and frequency shifting is a long-range phenomenon, we conclude that long-range electrostatic interaction is the driving force behind the frozen energy term.

Polarization transfer observables in elastic electron-proton scattering at Q2=2.5 , 5.2, 6.8, and 8.5 GeV2

NASA Astrophysics Data System (ADS)

Puckett, A. J. R.; Brash, E. J.; Jones, M. K.; Luo, W.; Meziane, M.; Pentchev, L.; Perdrisat, C. F.; Punjabi, V.; Wesselmann, F. R.; Afanasev, A.; Ahmidouch, A.; Albayrak, I.; Aniol, K. A.; Arrington, J.; Asaturyan, A.; Baghdasaryan, H.; Benmokhtar, F.; Bertozzi, W.; Bimbot, L.; Bosted, P.; Boeglin, W.; Butuceanu, C.; Carter, P.; Chernenko, S.; Christy, M. E.; Commisso, M.; Cornejo, J. C.; Covrig, S.; Danagoulian, S.; Daniel, A.; Davidenko, A.; Day, D.; Dhamija, S.; Dutta, D.; Ent, R.; Frullani, S.; Fenker, H.; Frlez, E.; Garibaldi, F.; Gaskell, D.; Gilad, S.; Gilman, R.; Goncharenko, Y.; Hafidi, K.; Hamilton, D.; Higinbotham, D. W.; Hinton, W.; Horn, T.; Hu, B.; Huang, J.; Huber, G. M.; Jensen, E.; Keppel, C.; Khandaker, M.; King, P.; Kirillov, D.; Kohl, M.; Kravtsov, V.; Kumbartzki, G.; Li, Y.; Mamyan, V.; Margaziotis, D. J.; Marsh, A.; Matulenko, Y.; Maxwell, J.; Mbianda, G.; Meekins, D.; Melnik, Y.; Miller, J.; Mkrtchyan, A.; Mkrtchyan, H.; Moffit, B.; Moreno, O.; Mulholland, J.; Narayan, A.; Nedev, S.; Nuruzzaman, Piasetzky, E.; Pierce, W.; Piskunov, N. M.; Prok, Y.; Ransome, R. D.; Razin, D. S.; Reimer, P.; Reinhold, J.; Rondon, O.; Shabestari, M.; Shahinyan, A.; Shestermanov, K.; Širca, S.; Sitnik, I.; Smykov, L.; Smith, G.; Solovyev, L.; Solvignon, P.; Subedi, R.; Tomasi-Gustafsson, E.; Vasiliev, A.; Veilleux, M.; Wojtsekhowski, B. B.; Wood, S.; Ye, Z.; Zanevsky, Y.; Zhang, X.; Zhang, Y.; Zheng, X.; Zhu, L.

2017-11-01

Background: Interest in the behavior of nucleon electromagnetic form factors at large momentum transfers has steadily increased since the discovery, using polarization observables, of the rapid decrease of the ratio GEp/GMp of the proton's electric and magnetic form factors for momentum transfers Q2≳1 GeV2, in strong disagreement with previous extractions of this ratio using the traditional Rosenbluth separation technique. Purpose: The GEp-III and GEp -2 γ experiments were carried out in Jefferson Laboratory's (JLab's) Hall C from 2007 to 2008, to extend the knowledge of GEp/GMp to the highest practically achievable Q2 given the maximum beam energy of 6 GeV and to search for effects beyond the Born approximation in polarization transfer observables of elastic e ⃗p scattering. This article provides an expanded description of the common experimental apparatus and data analysis procedures, and reports the results of a final reanalysis of the data from both experiments, including the previously unpublished results of the full-acceptance dataset of the GEp -2 γ experiment. Methods: Polarization transfer observables in elastic e ⃗p →e p ⃗ scattering were measured at central Q2 values of 2.5, 5.2, 6.8, and 8.54 GeV2. At Q2=2.5 GeV2 , data were obtained for central values of the virtual photon polarization parameter ɛ of 0.149, 0.632, and 0.783. The Hall C High Momentum Spectrometer detected and measured the polarization of protons recoiling elastically from collisions of JLab's polarized electron beam with a liquid hydrogen target. A large-acceptance electromagnetic calorimeter detected the elastically scattered electrons in coincidence to suppress inelastic backgrounds. Results: The final GEp-III data are largely unchanged relative to the originally published results. The statistical uncertainties of the final GEp -2 γ data are significantly reduced at ɛ =0.632 and 0.783 relative to the original publication. Conclusions: The final GEp-III results show that the decrease with Q2 of GEp/GMp continues to Q2=8.5 GeV2 , but at a slowing rate relative to the approximately linear decrease observed in earlier Hall A measurements. At Q2=8.5 GeV2 , GEp/GMp remains positive but is consistent with zero. At Q2=2.5 GeV2 , GEp/GMp derived from the polarization component ratio R ∝Pt/Pℓ shows no statistically significant ɛ dependence, as expected in the Born approximation. On the other hand, the ratio Pℓ/PℓBorn of the longitudinal polarization transfer component to its Born value shows an enhancement of roughly 1.7% at ɛ =0.783 relative to ɛ =0.149 , with ≈2.2 σ significance based on the total uncertainty, implying a similar effect in the transverse component Pt that cancels in the ratio R .

Efficient algorithms for the simulation of non-adiabatic electron transfer in complex molecular systems: application to DNA.

PubMed

Kubař, Tomáš; Elstner, Marcus

2013-04-28

In this work, a fragment-orbital density functional theory-based method is combined with two different non-adiabatic schemes for the propagation of the electronic degrees of freedom. This allows us to perform unbiased simulations of electron transfer processes in complex media, and the computational scheme is applied to the transfer of a hole in solvated DNA. It turns out that the mean-field approach, where the wave function of the hole is driven into a superposition of adiabatic states, leads to over-delocalization of the hole charge. This problem is avoided using a surface hopping scheme, resulting in a smaller rate of hole transfer. The method is highly efficient due to the on-the-fly computation of the coarse-grained DFT Hamiltonian for the nucleobases, which is coupled to the environment using a QM/MM approach. The computational efficiency and partial parallel character of the methodology make it possible to simulate electron transfer in systems of relevant biochemical size on a nanosecond time scale. Since standard non-polarizable force fields are applied in the molecular-mechanics part of the calculation, a simple scaling scheme was introduced into the electrostatic potential in order to simulate the effect of electronic polarization. It is shown that electronic polarization has an important effect on the features of charge transfer. The methodology is applied to two kinds of DNA sequences, illustrating the features of transfer along a flat energy landscape as well as over an energy barrier. The performance and relative merit of the mean-field scheme and the surface hopping for this application are discussed.

Crossed-beam energy transfer: polarization effects and evidence of saturation

NASA Astrophysics Data System (ADS)

Turnbull, D.; Colaïtis, A.; Follett, R. K.; Palastro, J. P.; Froula, D. H.; Michel, P.; Goyon, C.; Chapman, T.; Divol, L.; Kemp, G. E.; Mariscal, D.; Patankar, S.; Pollock, B. B.; Ross, J. S.; Moody, J. D.; Tubman, E. R.; Woolsey, N. C.

2018-05-01

Recent results on crossed-beam energy transfer are presented. Wavelength tuning was used to vary the amount of energy transfer between two beams in a quasi-stationary plasma with carefully controlled conditions. The amount of transfer agreed well with calculations assuming linear ion acoustic waves (IAWs) with amplitudes up to δ n/n≈ 0.015. Increasing the initial probe intensity to access larger IAW amplitudes for otherwise fixed conditions yields evidence of saturation. The ability to manipulate a beam's polarization, which results from the anisotropic nature of the interaction, is revisited; an example is provided to demonstrate how polarization effects in a multibeam situation can dramatically enhance the expected amount of energy transfer.

Mechanism of spontaneous polarization transfer in high-field SABRE experiments

NASA Astrophysics Data System (ADS)

Knecht, Stephan; Kiryutin, Alexey S.; Yurkovskaya, Alexandra V.; Ivanov, Konstantin L.

2018-02-01

We propose an explanation of the previously reported SABRE (Signal Amplification By Reversible Exchange) effect at high magnetic fields, observed in the absence of RF-excitation and relying only on "spontaneous" polarization transfer from parahydrogen (pH2, the H2 molecule in its nuclear singlet spin state) to a SABRE substrate. We propose a detailed mechanism for spontaneous polarization transfer and show that it is comprised of three steps: (i) Generation of the anti-phase Î1zÎ2z spin order of catalyst-bound H2; (ii) spin order conversion Î1zÎ2z → (Î1z +Î2z) due to cross-correlated relaxation, leading to net polarization of H2; (iii) polarization transfer to the SABRE substrate, occurring due to NOE. Formation of anti-phase polarization is due to singlet-to-T0 mixing in the catalyst-bound form of H2, while cross-correlated relaxation originates from fluctuations of dipole-dipole interactions and chemical shift anisotropy. The proposed mechanism is supported by a theoretical treatment, magnetic field-dependent studies and high-field NMR measurements with both pH2 and thermally polarized H2.

Mechanism of spontaneous polarization transfer in high-field SABRE experiments.

PubMed

Knecht, Stephan; Kiryutin, Alexey S; Yurkovskaya, Alexandra V; Ivanov, Konstantin L

2018-02-01

We propose an explanation of the previously reported SABRE (Signal Amplification By Reversible Exchange) effect at high magnetic fields, observed in the absence of RF-excitation and relying only on "spontaneous" polarization transfer from parahydrogen (pH 2 , the H 2 molecule in its nuclear singlet spin state) to a SABRE substrate. We propose a detailed mechanism for spontaneous polarization transfer and show that it is comprised of three steps: (i) Generation of the anti-phase Î 1z Î 2z spin order of catalyst-bound H 2 ; (ii) spin order conversion Î 1z Î 2z →(Î 1z +Î 2z ) due to cross-correlated relaxation, leading to net polarization of H 2 ; (iii) polarization transfer to the SABRE substrate, occurring due to NOE. Formation of anti-phase polarization is due to singlet-to-T 0 mixing in the catalyst-bound form of H 2 , while cross-correlated relaxation originates from fluctuations of dipole-dipole interactions and chemical shift anisotropy. The proposed mechanism is supported by a theoretical treatment, magnetic field-dependent studies and high-field NMR measurements with both pH 2 and thermally polarized H 2 . Copyright © 2017 Elsevier Inc. All rights reserved.

Equivalence of internal and external mixture schemes of single scattering properties in vector radiative transfer

PubMed Central

Mukherjee, Lipi; Zhai, Peng-Wang; Hu, Yongxiang; Winker, David M.

2018-01-01

Polarized radiation fields in a turbid medium are influenced by single-scattering properties of scatterers. It is common that media contain two or more types of scatterers, which makes it essential to properly mix single-scattering properties of different types of scatterers in the vector radiative transfer theory. The vector radiative transfer solvers can be divided into two basic categories: the stochastic and deterministic methods. The stochastic method is basically the Monte Carlo method, which can handle scatterers with different scattering properties explicitly. This mixture scheme is called the external mixture scheme in this paper. The deterministic methods, however, can only deal with a single set of scattering properties in the smallest discretized spatial volume. The single-scattering properties of different types of scatterers have to be averaged before they are input to deterministic solvers. This second scheme is called the internal mixture scheme. The equivalence of these two different mixture schemes of scattering properties has not been demonstrated so far. In this paper, polarized radiation fields for several scattering media are solved using the Monte Carlo and successive order of scattering (SOS) methods and scattering media contain two types of scatterers: Rayleigh scatterers (molecules) and Mie scatterers (aerosols). The Monte Carlo and SOS methods employ external and internal mixture schemes of scatterers, respectively. It is found that the percentage differences between radiances solved by these two methods with different mixture schemes are of the order of 0.1%. The differences of Q/I, U/I, and V/I are of the order of 10−5 ~ 10−4, where I, Q, U, and V are the Stokes parameters. Therefore, the equivalence between these two mixture schemes is confirmed to the accuracy level of the radiative transfer numerical benchmarks. This result provides important guidelines for many radiative transfer applications that involve the mixture of different scattering and absorptive particles. PMID:29047543

Field-cycling NMR experiments in an ultra-wide magnetic field range: relaxation and coherent polarization transfer.

PubMed

Zhukov, Ivan V; Kiryutin, Alexey S; Yurkovskaya, Alexandra V; Grishin, Yuri A; Vieth, Hans-Martin; Ivanov, Konstantin L

2018-05-09

An experimental method is described allowing fast field-cycling Nuclear Magnetic Resonance (NMR) experiments over a wide range of magnetic fields from 5 nT to 10 T. The method makes use of a hybrid technique: the high field range is covered by positioning the sample in the inhomogeneous stray field of the NMR spectrometer magnet. For fields below 2 mT a magnetic shield is mounted on top of the spectrometer; inside the shield the magnetic field is controlled by a specially designed coil system. This combination allows us to measure T1-relaxation times and nuclear Overhauser effect parameters over the full range in a routine way. For coupled proton-carbon spin systems relaxation with a common T1 is found at low fields, where the spins are "strongly coupled". In some cases, experiments at ultralow fields provide access to heteronuclear long-lived spin states. Efficient coherent polarization transfer is seen for proton-carbon spin systems at ultralow fields as follows from the observation of quantum oscillations in the polarization evolution. Applications to analysis and the manipulation of heteronuclear spin systems are discussed.

Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared Intensities.

PubMed

Duarte, Leonardo J; Richter, Wagner E; Silva, Arnaldo F; Bruns, Roy E

2017-10-26

Fundamental infrared vibrational transition intensities of gas-phase molecules are sensitive probes of changes in electronic structure accompanying small molecular distortions. Models containing charge, charge transfer, and dipolar polarization effects are necessary for a successful classification of the C-H, C-F, and C-Cl stretching and bending intensities. C-H stretching and in-plane bending vibrations involving sp 3 carbon atoms have small equilibrium charge contributions and are accurately modeled by the charge transfer-counterpolarization contribution and its interaction with equilibrium charge movement. Large C-F and C═O stretching intensities have dominant equilibrium charge movement contributions compared to their charge transfer-dipolar polarization ones and are accurately estimated by equilibrium charge and the interaction contribution. The C-F and C-Cl bending modes have charge and charge transfer-dipolar polarization contribution sums that are of similar size but opposite sign to their interaction values resulting in small intensities. Experimental in-plane C-H bends have small average intensities of 12.6 ± 10.4 km mol -1 owing to negligible charge contributions and charge transfer-counterpolarization cancellations, whereas their average out-of-plane experimental intensities are much larger, 65.7 ± 20.0 km mol -1 , as charge transfer is zero and only dipolar polarization takes place. The C-F bending intensities have large charge contributions but very small intensities. Their average experimental out-of-plane intensity of 9.9 ± 12.6 km mol -1 arises from the cancellation of large charge contributions by dipolar polarization contributions. The experimental average in-plane C-F bending intensity, 5.8 ± 7.3 km mol -1 , is also small owing to charge and charge transfer-counterpolarization sums being canceled by their interaction contributions. Models containing only atomic charges and their fluxes are incapable of describing electronic structure changes for simple molecular distortions that are of interest in classifying infrared intensities. One can expect dipolar polarization effects to also be important for larger distortions of chemical interest.

Probing energy transfer events in the light harvesting complex 2 (LH2) of Rhodobacter sphaeroides with two-dimensional spectroscopy.

PubMed

Fidler, Andrew F; Singh, Ved P; Long, Phillip D; Dahlberg, Peter D; Engel, Gregory S

2013-10-21

Excitation energy transfer events in the photosynthetic light harvesting complex 2 (LH2) of Rhodobacter sphaeroides are investigated with polarization controlled two-dimensional electronic spectroscopy. A spectrally broadened pulse allows simultaneous measurement of the energy transfer within and between the two absorption bands at 800 nm and 850 nm. The phased all-parallel polarization two-dimensional spectra resolve the initial events of energy transfer by separating the intra-band and inter-band relaxation processes across the two-dimensional map. The internal dynamics of the 800 nm region of the spectra are resolved as a cross peak that grows in on an ultrafast time scale, reflecting energy transfer between higher lying excitations of the B850 chromophores into the B800 states. We utilize a polarization sequence designed to highlight the initial excited state dynamics which uncovers an ultrafast transfer component between the two bands that was not observed in the all-parallel polarization data. We attribute the ultrafast transfer component to energy transfer from higher energy exciton states to lower energy states of the strongly coupled B850 chromophores. Connecting the spectroscopic signature to the molecular structure, we reveal multiple relaxation pathways including a cyclic transfer of energy between the two rings of the complex.

Collisional Transfer of Population and Orientation in NaK

NASA Astrophysics Data System (ADS)

Wolfe, C. M.; Ashman, S.; Huennekens, J.; Beser, B.; Bai, J.; Lyyra, A. M.

2010-03-01

We report current work to study transfer of population and orientation in collisions of NaK molecules with argon and potassium atoms using polarization labeling (PL) and laser- induced fluorescence (LIF) spectroscopy. In the PL experiment, a circularly polarized pump laser excites a specific NaK A^1&+circ;(v'=16, J') <- X^1&+circ;(v''=0, J'±1) transition, creating an orientation (non-uniform MJ' level distribution) in both levels. The linearly polarized probe laser is scanned over various 3^1π(v, J'±1) <- A^1&+circ;(v'=16, J') transitions. The probe laser passes through a crossed linear polarizer before detection, and signal is recorded if the probe laser polarization has been modified by the vapor (which occurs when it comes into resonance with an oriented level). Using both spectroscopic methods, analysis of weak collisional satellite lines adjacent to these directly populated lines, as a function of argon buffer gas pressure and cell temperature, allows us to discern separately the effects collisions with argon atoms and potassium atoms have on the population and orientation of the molecule. In addition, code has been written which provides a theoretical analysis of the process, through a solution of the density matrix equations of motion for the system.

Electrochemical Behavior of Sulfur in Aqueous Alkaline Solutions

NASA Astrophysics Data System (ADS)

Mamyrbekova, Aigul; Mamitova, A. D.; Mamyrbekova, Aizhan

2018-03-01

The kinetics and mechanism of the electrode oxidation-reduction of sulfur on an electrically conductive sulfur-graphite electrode in an alkaline solution was studied by the potentiodynamic method. To examine the mechanism of electrode processes occurring during AC polarization on a sulfur-graphite electrode, the cyclic polarization in both directions and anodic polarization curves were recorded. The kinetic parameters: charge transfer coefficients (α), diffusion coefficients ( D), heterogeneous rate constants of electrode process ( k s), and effective activation energies of the process ( E a) were calculated from the results of polarization measurements. An analysis of the results and calculated kinetic parameters of electrode processes showed that discharge ionization of sulfur in alkaline solutions occurs as a sequence of two stages and is a quasireversible process.

Retrieval of the scattering and microphysical properties of aerosols from ground-based optical measurements including polarization. I. Method.

PubMed

Vermeulen, A; Devaux, C; Herman, M

2000-11-20

A method has been developed for retrieving the scattering and microphysical properties of atmospheric aerosol from measurements of solar transmission, aureole, and angular distribution of the scattered and polarized sky light in the solar principal plane. Numerical simulations of measurements have been used to investigate the feasibility of the method and to test the algorithm's performance. It is shown that the absorption and scattering properties of an aerosol, i.e., the single-scattering albedo, the phase function, and the polarization for single scattering of incident unpolarized light, can be obtained by use of radiative transfer calculations to correct the values of scattered radiance and polarized radiance for multiple scattering, Rayleigh scattering, and the influence of ground. The method requires only measurement of the aerosol's optical thickness and an estimate of the ground's reflectance and does not need any specific assumption about properties of the aerosol. The accuracy of the retrieved phase function and polarization of the aerosols is examined at near-infrared wavelengths (e.g., 0.870 mum). The aerosol's microphysical properties (size distribution and complex refractive index) are derived in a second step. The real part of the refractive index is a strong function of the polarization, whereas the imaginary part is strongly dependent on the sky's radiance and the retrieved single-scattering albedo. It is demonstrated that inclusion of polarization data yields the real part of the refractive index.

Numerical method to optimize the polar-azimuthal orientation of infrared superconducting-nanowire single-photon detectors.

PubMed

Csete, Mária; Sipos, Áron; Najafi, Faraz; Hu, Xiaolong; Berggren, Karl K

2011-11-01

A finite-element method for calculating the illumination-dependence of absorption in three-dimensional nanostructures is presented based on the radio frequency module of the Comsol Multiphysics software package (Comsol AB). This method is capable of numerically determining the optical response and near-field distribution of subwavelength periodic structures as a function of illumination orientations specified by polar angle, φ, and azimuthal angle, γ. The method was applied to determine the illumination-angle-dependent absorptance in cavity-based superconducting-nanowire single-photon detector (SNSPD) designs. Niobium-nitride stripes based on dimensions of conventional SNSPDs and integrated with ~ quarter-wavelength hydrogen-silsesquioxane-filled nano-optical cavity and covered by a thin gold film acting as a reflector were illuminated from below by p-polarized light in this study. The numerical results were compared to results from complementary transfer-matrix-method calculations on composite layers made of analogous film-stacks. This comparison helped to uncover the optical phenomena contributing to the appearance of extrema in the optical response. This paper presents an approach to optimizing the absorptance of different sensing and detecting devices via simultaneous numerical optimization of the polar and azimuthal illumination angles. © 2011 Optical Society of America

Crossed-beam energy transfer: polarization effects and evidence of saturation

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

Turnbull, D.; Colaitis, A.; Follett, R. K.

In this article, recent results on crossed-beam energy transfer are presented. Wave-length tuning was used to vary the amount of energy transfer between two beams in a quasi-stationary plasma with carefully controlled conditions. The amount of transfer agreed well with calculations assuming linear ion acoustic waves with amplitudes up to δn/n ≈ 0.015. Increasing the initial probe intensity to access larger ion acoustic wave amplitudes for otherwise fixed conditions yields evidence of saturation. The ability to manipulate a beam’s polarization, which results from the anisotropic nature of the interaction, is revisited; an example is provided to demonstrate how polarization effectsmore » in a multibeam situation can dramatically enhance the expected amount of energy transfer.« less

Crossed-beam energy transfer: polarization effects and evidence of saturation

DOE PAGES

Turnbull, D.; Colaitis, A.; Follett, R. K.; ...

2018-04-05

In this article, recent results on crossed-beam energy transfer are presented. Wave-length tuning was used to vary the amount of energy transfer between two beams in a quasi-stationary plasma with carefully controlled conditions. The amount of transfer agreed well with calculations assuming linear ion acoustic waves with amplitudes up to δn/n ≈ 0.015. Increasing the initial probe intensity to access larger ion acoustic wave amplitudes for otherwise fixed conditions yields evidence of saturation. The ability to manipulate a beam’s polarization, which results from the anisotropic nature of the interaction, is revisited; an example is provided to demonstrate how polarization effectsmore » in a multibeam situation can dramatically enhance the expected amount of energy transfer.« less

Direct Numerical Simulations of Concentration and Temperature Polarization in Direct Contact Membrane Distillation

NASA Astrophysics Data System (ADS)

Lou, Jincheng; Tilton, Nils

2017-11-01

Membrane distillation (MD) is a method of desalination with boundary layers that are challenging to simulate. MD is a thermal process in which warm feed and cool distilled water flow on opposite sides of a hydrophobic membrane. The temperature difference causes water to evaporate from the feed, travel through the membrane, and condense in the distillate. Two challenges to MD are temperature and concentration polarization. Temperature polarization represents a reduction in the transmembrane temperature difference due to heat transfer through the membrane. Concentration polarization describes the accumulation of solutes near the membrane. These phenomena reduce filtration and lead to membrane fouling. They are difficult to simulate due to the coupling between the velocity, temperature, and concentration fields on the membrane. Unsteady regimes are particularly challenging because noise at the outlets can pollute the near-membrane flow fields. We present the development of a finite-volume method for the simulation of fluid flow, heat, and mass transport in MD systems. Using the method, we perform a parametric study of the polarization boundary layers, and show that the concentration boundary layer shows self-similar behavior that satisfies power laws for the downstream growth. Funded by the U.S. Bureau of Reclamation.

Nonreciprocal optical isolation via graphene based photonic crystals

NASA Astrophysics Data System (ADS)

Roshan Entezar, S.; Karimi Habil, M.

2018-03-01

The transmission properties of a one-dimensional photonic crystal containing graphene mono-layers are studied using the transfer matrix method. It is shown that the structure can be used as a polarization-selective nonreciprocal device which discriminates between the two circularly polarized waves with different handedness impinging in the same direction. This structure may be utilized in designing optical isolators for the circularly polarized waves due to the gyrotropic behavior of the graphene mono-layers under the perpendicularly applied external magnetic field. Moreover, the effect of an external magnetic field and the chemical potential of the graphene mono-layers on the band gap of the structure are investigated.

Effect of asymmetrical transfer coefficients of a non-polarizing beam splitter on the nonlinear error of the polarization interferometer

NASA Astrophysics Data System (ADS)

Zhao, Chen-Guang; Tan, Jiu-Bin; Liu, Tao

2010-09-01

The mechanism of a non-polarizing beam splitter (NPBS) with asymmetrical transfer coefficients causing the rotation of polarization direction is explained in principle, and the measurement nonlinear error caused by NPBS is analyzed based on Jones matrix theory. Theoretical calculations show that the nonlinear error changes periodically, and the error period and peak values increase with the deviation between transmissivities of p-polarization and s-polarization states. When the transmissivity of p-polarization is 53% and that of s-polarization is 48%, the maximum error reaches 2.7 nm. The imperfection of NPBS is one of the main error sources in simultaneous phase-shifting polarization interferometer, and its influence can not be neglected in the nanoscale ultra-precision measurement.

Exploring the Effects of Cloud Vertical Structure on Cloud Microphysical Retrievals based on Polarized Reflectances

NASA Astrophysics Data System (ADS)

Miller, D. J.; Zhang, Z.; Platnick, S. E.; Ackerman, A. S.; Cornet, C.; Baum, B. A.

2013-12-01

A polarized cloud reflectance simulator was developed by coupling an LES cloud model with a polarized radiative transfer model to assess the capabilities of polarimetric cloud retrievals. With future remote sensing campaigns like NASA's Aerosols/Clouds/Ecosystems (ACE) planning to feature advanced polarimetric instruments it is important for the cloud remote sensing community to understand the retrievable information available and the related systematic/methodical limitations. The cloud retrieval simulator we have developed allows us to probe these important questions in a realistically relevant test bed. Our simulator utilizes a polarized adding-doubling radiative transfer model and an LES cloud field from a DHARMA simulation (Ackerman et al. 2004) with cloud properties based on the stratocumulus clouds observed during the DYCOMS-II field campaign. In this study we will focus on how the vertical structure of cloud microphysics can influence polarized cloud effective radius retrievals. Numerous previous studies have explored how retrievals based on total reflectance are affected by cloud vertical structure (Platnick 2000, Chang and Li 2002) but no such studies about the effects of vertical structure on polarized retrievals exist. Unlike the total cloud reflectance, which is predominantly multiply scattered light, the polarized reflectance is primarily the result of singly scattered photons. Thus the polarized reflectance is sensitive to only the uppermost region of the cloud (tau~<1) where photons can scatter once and still escape before being scattered again. This means that retrievals based on polarized reflectance have the potential to reveal behaviors specific to the cloud top. For example cloud top entrainment of dry air, a major influencer on the microphysical development of cloud droplets, can be potentially studied with polarimetric retrievals.

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

Polarization Transfer in the Reaction 4He($$\\vec{v}$$,e'$$\\vec{p}$$) 3H in the Quasielastic Scattering Region

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

Dieterich, Sonja

2002-05-01

There has been a longstanding issue concerning possible nucleon modifications in a (dense) nuclear medium. Polarization transfer data for exclusive quasielastic electron scattering are a sensitive to the ratio of the electric and magnetic nucleon form factors in the medium. Although proper interpretation of the results requires accounting for such effects as final state interactions and meson exchange currents, their effect on polarization transfer is predicted to be small. Studies of model dependencies, e.g., the off-shell current operator and spinor distortions, have been done. Final results of a measurement of polarization transfer in the 4He(more » $$\\vec{v}$$,e'$$\\vec{p}$$) 3H reaction will be discussed. The experiments were carried out at MAMI, Mainz at a Q 2 of 0.4 GeV 2 and at the Thomas Jefferson Lab, Newport News, Virginia at the Q 2 values 0.5, 1.0, 1.6 and 2.6 GeV 2. Measured values of the transferred and induced polarization are compared with various theoretical calculations. The experiment showed a difference between the fully relativistic model with may indicate medium modifications of the form factor.« less

Polarization Calibration of the Chromospheric Lyman-Alpha SpectroPolarimeter for a 0.1% Polarization Sensitivity in the VUV Range. Part II: In-Flight Calibration

NASA Astrophysics Data System (ADS)

Giono, G.; Ishikawa, R.; Narukage, N.; Kano, R.; Katsukawa, Y.; Kubo, M.; Ishikawa, S.; Bando, T.; Hara, H.; Suematsu, Y.; Winebarger, A.; Kobayashi, K.; Auchère, F.; Trujillo Bueno, J.; Tsuneta, S.; Shimizu, T.; Sakao, T.; Cirtain, J.; Champey, P.; Asensio Ramos, A.; Štěpán, J.; Belluzzi, L.; Manso Sainz, R.; De Pontieu, B.; Ichimoto, K.; Carlsson, M.; Casini, R.; Goto, M.

2017-04-01

The Chromospheric Lyman-Alpha SpectroPolarimeter is a sounding rocket instrument designed to measure for the first time the linear polarization of the hydrogen Lyman-{α} line (121.6 nm). The instrument was successfully launched on 3 September 2015 and observations were conducted at the solar disc center and close to the limb during the five-minutes flight. In this article, the disc center observations are used to provide an in-flight calibration of the instrument spurious polarization. The derived in-flight spurious polarization is consistent with the spurious polarization levels determined during the pre-flight calibration and a statistical analysis of the polarization fluctuations from solar origin is conducted to ensure a 0.014% precision on the spurious polarization. The combination of the pre-flight and the in-flight polarization calibrations provides a complete picture of the instrument response matrix, and a proper error transfer method is used to confirm the achieved polarization accuracy. As a result, the unprecedented 0.1% polarization accuracy of the instrument in the vacuum ultraviolet is ensured by the polarization calibration.

A new strategy for in vivo spectral editing. Application to GABA editing using selective homonuclear polarization transfer spectroscopy

NASA Astrophysics Data System (ADS)

Shen, Jun; Yang, Jehoon; Choi, In-Young; Li, Shizhe Steve; Chen, Zhengguang

2004-10-01

A novel single-shot in vivo spectral editing method is proposed in which the signal to be detected, is regenerated anew from the thermal equilibrium magnetization of a source to which it is J-coupled. The thermal equilibrium magnetization of the signal to be detected together with those of overlapping signals are suppressed by single-shot gradient dephasing prior to the signal regeneration process. Application of this new strategy to in vivo GABA editing using selective homonuclear polarization transfer allows complete suppression of overlapping creatine and glutathione while detecting the GABA-4 methylene resonance at 3.02 ppm with an editing yield similar to that of conventional editing methods. The NAA methyl group at 2.02 ppm was simultaneously detected and can be used as an internal navigator echo for correcting the zero order phase and frequency shifts and as an internal reference for concentration. This new method has been demonstrated for robust in vivo GABA editing in the rat brain and for study of GABA synthesis after acute vigabatrin administration.

Depolarization after resonance energy transfer (DARET): a sensitive fluorescence-based assay for botulinum neurotoxin protease activity.

PubMed

Gilmore, Marcella A; Williams, Dudley; Okawa, Yumiko; Holguin, Bret; James, Nicholas G; Ross, Justin A; Roger Aoki, K; Jameson, David M; Steward, Lance E

2011-06-01

The DARET (depolarization after resonance energy transfer) assay is a coupled Förster resonance energy transfer (FRET)-fluorescence polarization assay for botulinum neurotoxin type A or E (BoNT/A or BoNT/E) proteolytic activity that relies on a fully recombinant substrate. The substrate consists of blue fluorescent protein (BFP) and green fluorescent protein (GFP) flanking SNAP-25 (synaptosome-associated protein of 25 kDa) residues 134-206. In this assay, the substrate is excited with polarized light at 387 nm, which primarily excites the BFP, whereas emission from the GFP is monitored at 509 nm. Energy transfer from the BFP to the GFP in the intact substrate results in a substantial depolarization of the GFP emission. The energy transfer is eliminated when the fluorescent domains separate on cleavage by the endopeptidase, and emission from the directly excited GFP product fragment is then highly polarized, resulting in an overall increase in polarization. This increase in polarization can be monitored to assay the proteolytic activity of BoNT/A and BoNT/E in real time. It allows determination of the turnover rate of the substrate and the kinetic constants (V(max) and k(cat)) based on the concentration of cleaved substrate determined directly from the measurements using the additivity properties of polarization. The assay is amenable to high-throughput applications. Copyright © 2011 Elsevier Inc. All rights reserved.

Chirality and energy transfer amplified circularly polarized luminescence in composite nanohelix

PubMed Central

Yang, Dong; Duan, Pengfei; Zhang, Li; Liu, Minghua

2017-01-01

Transfer of both chirality and energy information plays an important role in biological systems. Here we show a chiral donor π-gelator and assembled it with an achiral π-acceptor to see how chirality and energy can be transferred in a composite donor–acceptor system. It is found that the individual chiral gelator can self-assemble into nanohelix. In the presence of the achiral acceptor, the self-assembly can also proceed and lead to the formation of the composite nanohelix. In the composite nanohelix, an energy transfer is realized. Interestingly, in the composite nanohelix, the achiral acceptor can both capture the supramolecular chirality and collect the circularly polarized energy from the chiral donor, showing both supramolecular chirality and energy transfer amplified circularly polarized luminescence (ETACPL). PMID:28585538

Chirality and energy transfer amplified circularly polarized luminescence in composite nanohelix

NASA Astrophysics Data System (ADS)

Yang, Dong; Duan, Pengfei; Zhang, Li; Liu, Minghua

2017-06-01

Transfer of both chirality and energy information plays an important role in biological systems. Here we show a chiral donor π-gelator and assembled it with an achiral π-acceptor to see how chirality and energy can be transferred in a composite donor-acceptor system. It is found that the individual chiral gelator can self-assemble into nanohelix. In the presence of the achiral acceptor, the self-assembly can also proceed and lead to the formation of the composite nanohelix. In the composite nanohelix, an energy transfer is realized. Interestingly, in the composite nanohelix, the achiral acceptor can both capture the supramolecular chirality and collect the circularly polarized energy from the chiral donor, showing both supramolecular chirality and energy transfer amplified circularly polarized luminescence (ETACPL).

Polarization Transfer in Wide-Angle Compton Scattering and Single-Pion Photoproduction from the Proton

NASA Astrophysics Data System (ADS)

Fanelli, C.; Cisbani, E.; Hamilton, D. J.; Salmé, G.; Wojtsekhowski, B.; Ahmidouch, A.; Annand, J. R. M.; Baghdasaryan, H.; Beaufait, J.; Bosted, P.; Brash, E. J.; Butuceanu, C.; Carter, P.; Christy, E.; Chudakov, E.; Danagoulian, S.; Day, D.; Degtyarenko, P.; Ent, R.; Fenker, H.; Fowler, M.; Frlez, E.; Gaskell, D.; Gilman, R.; Horn, T.; Huber, G. M.; de Jager, C. W.; Jensen, E.; Jones, M. K.; Kelleher, A.; Keppel, C.; Khandaker, M.; Kohl, M.; Kumbartzki, G.; Lassiter, S.; Li, Y.; Lindgren, R.; Lovelace, H.; Luo, W.; Mack, D.; Mamyan, V.; Margaziotis, D. J.; Markowitz, P.; Maxwell, J.; Mbianda, G.; Meekins, D.; Meziane, M.; Miller, J.; Mkrtchyan, A.; Mkrtchyan, H.; Mulholland, J.; Nelyubin, V.; Pentchev, L.; Perdrisat, C. F.; Piasetzky, E.; Prok, Y.; Puckett, A. J. R.; Punjabi, V.; Shabestari, M.; Shahinyan, A.; Slifer, K.; Smith, G.; Solvignon, P.; Subedi, R.; Wesselmann, F. R.; Wood, S.; Ye, Z.; Zheng, X.

2015-10-01

Wide-angle exclusive Compton scattering and single-pion photoproduction from the proton have been investigated via measurement of the polarization transfer from a circularly polarized photon beam to the recoil proton. The wide-angle Compton scattering polarization transfer was analyzed at an incident photon energy of 3.7 GeV at a proton scattering angle of θcmp=70 ° . The longitudinal transfer KLL, measured to be 0.645 ±0.059 ±0.048 , where the first error is statistical and the second is systematic, has the same sign as predicted for the reaction mechanism in which the photon interacts with a single quark carrying the spin of the proton. However, the observed value is ˜3 times larger than predicted by the generalized-parton-distribution-based calculations, which indicates a significant unknown contribution to the scattering amplitude.

Magnetization transfer from laser-polarized xenon to protons located in the hydrophobic cavity of the wheat nonspecific lipid transfer protein

PubMed Central

Landon, Céline; Berthault, Patrick; Vovelle, Françoise; Desvaux, Hervé

2001-01-01

Nonspecific lipid transfer protein from wheat is studied by liquid-state NMR in the presence of xenon. The gas–protein interaction is indicated by the dependence of the protein proton chemical shifts on the xenon pressure and formally confirmed by the first observation of magnetization transfer from laser-polarized xenon to the protein protons. Twenty-six heteronuclear nOes have allowed the characterization of four interaction sites inside the wheat ns-LTP cavity. Their locations are in agreement with the variations of the chemical shifts under xenon pressure and with solvation simulations. The richness of the information obtained by the noble gas with a nuclear polarization multiplied by ∼12,000 makes this approach based on dipolar cross-relaxation with laser-polarized xenon promising for probing protein hydrophobic pockets at ambient pressure. PMID:11274467

Polarization Transfer in Wide-Angle Compton Scattering and Single-Pion Photoproduction from the Proton

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

Fanelli, C.; Cisbani, E.; Hamilton, D. J.

Wide-angle exclusive Compton scattering and single-pion photoproduction from the proton have been investigated via measurement of the polarization transfer from a circularly polarized photon beam to the recoil proton. The wide-angle Compton scattering polarization transfer was analyzed at an incident photon energy of 3.7 GeV at a proton scattering angle of theta(p)(cm) cm = 70 degrees. The longitudinal transfer K-LL, measured to be 0.645 +/- 0.059 +/- 0.048, where the first error is statistical and the second is systematic, has the same sign as predicted for the reaction mechanism in which the photon interacts with a single quark carrying themore » spin of the proton. However, the observed value is similar to 3 times larger than predicted by the generalized-parton-distribution-based calculations, which indicates a significant unknown contribution to the scattering amplitude.« less

Quantum State Transfer from a Single Photon to a Distant Quantum-Dot Electron Spin

NASA Astrophysics Data System (ADS)

He, Yu; He, Yu-Ming; Wei, Yu-Jia; Jiang, Xiao; Chen, Kai; Lu, Chao-Yang; Pan, Jian-Wei; Schneider, Christian; Kamp, Martin; Höfling, Sven

2017-08-01

Quantum state transfer from flying photons to stationary matter qubits is an important element in the realization of quantum networks. Self-assembled semiconductor quantum dots provide a promising solid-state platform hosting both single photon and spin, with an inherent light-matter interface. Here, we develop a method to coherently and actively control the single-photon frequency bins in superposition using electro-optic modulators, and measure the spin-photon entanglement with a fidelity of 0.796 ±0.020 . Further, by Greenberger-Horne-Zeilinger-type state projection on the frequency, path, and polarization degrees of freedom of a single photon, we demonstrate quantum state transfer from a single photon to a single electron spin confined in an InGaAs quantum dot, separated by 5 m. The quantum state mapping from the photon's polarization to the electron's spin is demonstrated along three different axes on the Bloch sphere, with an average fidelity of 78.5%.

Vector radiative transfer code SORD: Performance analysis and quick start guide

NASA Astrophysics Data System (ADS)

Korkin, Sergey; Lyapustin, Alexei; Sinyuk, Alexander; Holben, Brent; Kokhanovsky, Alexander

2017-10-01

We present a new open source polarized radiative transfer code SORD written in Fortran 90/95. SORD numerically simulates propagation of monochromatic solar radiation in a plane-parallel atmosphere over a reflecting surface using the method of successive orders of scattering (hence the name). Thermal emission is ignored. We did not improve the method in any way, but report the accuracy and runtime in 52 benchmark scenarios. This paper also serves as a quick start user's guide for the code available from ftp://maiac.gsfc.nasa.gov/pub/skorkin, from the JQSRT website, or from the corresponding (first) author.

Polarization-Dependent Ti 2p-Resonant X-ray Raman Scattering from Ti2O3

NASA Astrophysics Data System (ADS)

Tezuka, Yasuhisa; Nakajima, Nobuo; Adachi, Jun-ichi; Morimoto, Osamu; Sato, Hitoshi; Uozumi, Takayuki

2017-12-01

Detailed resonant X-ray emission spectra (XES) and these polarization dependences of Ti2O3 were obtained by excitation at the Ti 2p absorption edge. About 100 XES spectra were observed in different polarization configurations. X-ray Raman scattering spectra showed two types of crystal field (dd) excitations as well as charge-transfer (CT) excitations. Bulk states of the powder sample were obtained by the XES measurement, which is the photon-in/photon-out method. Partial photon yields (PPYs) of some elementary excitations were extracted from the XES spectra. The CT excitations were hidden in total electron yield spectra, but these were revealed by PPY measurements. Symmetry information of these excitations was acquired on the basis of polarization dependences.

Polarized scattered light from self-luminous exoplanets. Three-dimensional scattering radiative transfer with ARTES

NASA Astrophysics Data System (ADS)

Stolker, T.; Min, M.; Stam, D. M.; Mollière, P.; Dominik, C.; Waters, L. B. F. M.

2017-11-01

Context. Direct imaging has paved the way for atmospheric characterization of young and self-luminous gas giants. Scattering in a horizontally-inhomogeneous atmosphere causes the disk-integrated polarization of the thermal radiation to be linearly polarized, possibly detectable with the newest generation of high-contrast imaging instruments. Aims: We aim to investigate the effect of latitudinal and longitudinal cloud variations, circumplanetary disks, atmospheric oblateness, and cloud particle properties on the integrated degree and direction of polarization in the near-infrared. We want to understand how 3D atmospheric asymmetries affect the polarization signal in order to assess the potential of infrared polarimetry for direct imaging observations of planetary-mass companions. Methods: We have developed a three-dimensional Monte Carlo radiative transfer code (ARTES) for scattered light simulations in (exo)planetary atmospheres. The code is applicable to calculations of reflected light and thermal radiation in a spherical grid with a parameterized distribution of gas, clouds, hazes, and circumplanetary material. A gray atmosphere approximation is used for the thermal structure. Results: The disk-integrated degree of polarization of a horizontally-inhomogeneous atmosphere is maximal when the planet is flattened, the optical thickness of the equatorial clouds is large compared to the polar clouds, and the clouds are located at high altitude. For a flattened planet, the integrated polarization can both increase or decrease with respect to a spherical planet which depends on the horizontal distribution and optical thickness of the clouds. The direction of polarization can be either parallel or perpendicular to the projected direction of the rotation axis when clouds are zonally distributed. Rayleigh scattering by submicron-sized cloud particles will maximize the polarimetric signal whereas the integrated degree of polarization is significantly reduced with micron-sized cloud particles as a result of forward scattering. The presence of a cold or hot circumplanetary disk may also produce a detectable degree of polarization (≲1%) even with a uniform cloud layer in the atmosphere.

Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculations.

PubMed

Demerdash, Omar; Mao, Yuezhi; Liu, Tianyi; Head-Gordon, Martin; Head-Gordon, Teresa

2017-10-28

In this work, we evaluate the accuracy of the classical AMOEBA model for representing many-body interactions, such as polarization, charge transfer, and Pauli repulsion and dispersion, through comparison against an energy decomposition method based on absolutely localized molecular orbitals (ALMO-EDA) for the water trimer and a variety of ion-water systems. When the 2- and 3-body contributions according to the many-body expansion are analyzed for the ion-water trimer systems examined here, the 3-body contributions to Pauli repulsion and dispersion are found to be negligible under ALMO-EDA, thereby supporting the validity of the pairwise-additive approximation in AMOEBA's 14-7 van der Waals term. However AMOEBA shows imperfect cancellation of errors for the missing effects of charge transfer and incorrectness in the distance dependence for polarization when compared with the corresponding ALMO-EDA terms. We trace the larger 2-body followed by 3-body polarization errors to the Thole damping scheme used in AMOEBA, and although the width parameter in Thole damping can be changed to improve agreement with the ALMO-EDA polarization for points about equilibrium, the correct profile of polarization as a function of intermolecular distance cannot be reproduced. The results suggest that there is a need for re-examining the damping and polarization model used in the AMOEBA force field and provide further insights into the formulations of polarizable force fields in general.

Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculations

NASA Astrophysics Data System (ADS)

Demerdash, Omar; Mao, Yuezhi; Liu, Tianyi; Head-Gordon, Martin; Head-Gordon, Teresa

2017-10-01

In this work, we evaluate the accuracy of the classical AMOEBA model for representing many-body interactions, such as polarization, charge transfer, and Pauli repulsion and dispersion, through comparison against an energy decomposition method based on absolutely localized molecular orbitals (ALMO-EDA) for the water trimer and a variety of ion-water systems. When the 2- and 3-body contributions according to the many-body expansion are analyzed for the ion-water trimer systems examined here, the 3-body contributions to Pauli repulsion and dispersion are found to be negligible under ALMO-EDA, thereby supporting the validity of the pairwise-additive approximation in AMOEBA's 14-7 van der Waals term. However AMOEBA shows imperfect cancellation of errors for the missing effects of charge transfer and incorrectness in the distance dependence for polarization when compared with the corresponding ALMO-EDA terms. We trace the larger 2-body followed by 3-body polarization errors to the Thole damping scheme used in AMOEBA, and although the width parameter in Thole damping can be changed to improve agreement with the ALMO-EDA polarization for points about equilibrium, the correct profile of polarization as a function of intermolecular distance cannot be reproduced. The results suggest that there is a need for re-examining the damping and polarization model used in the AMOEBA force field and provide further insights into the formulations of polarizable force fields in general.

Spin polarization transfer by the radical pair mechanism

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

Zarea, Mehdi, E-mail: m-zarea@northwestern.edu; Ratner, Mark A.; Wasielewski, Michael R.

2015-08-07

In a three-site representation, we study a spin polarization transfer from radical pair spins to a nearby electron or nuclear spin. The quantum dynamics of the radical pair spins is governed by a constant exchange interaction between the radical pair spins which have different Zeeman frequencies. Radical pair spins can recombine to the singlet ground state or to lower energy triplet states. It is then shown that the coherent dynamics of the radical pair induces spin polarization on the nearby third spin in the presence of a magnetic field. The spin polarization transfer depends on the difference between Zeeman frequencies,more » the singlet and triplet recombination rates, and on the exchange and dipole-dipole interactions between the different spins. In particular, the sign of the polarization depends on the exchange coupling between radical pair spins and also on the difference between singlet and triplet recombination rate constants.« less

Anisotropy in electromagnetic field variations and its implication for lateral inhomogeneity of the electrical conductivity structure

NASA Astrophysics Data System (ADS)

Honkura, Y.; Watanabe, N.; Kaneko, Y.; Oshima, S.

1989-03-01

Two-dimensional analyses of magnetotelluric data provide information on anisotropic response for two different polarization cases; the so-called B-polarization and E-polarization cases. Similar anisotropy should also be observed in the horizontal components of magnetic field variations. On the assumption that a reference station provides the normal magnetic field, transfer functions for the horizontal magnetic fields can be derived in a fashion similar to the impedance analysis for magnetotelluric data. We applied this method to magnetic data obtained at some observation sites in a geothermal area in Japan. Transfer functions for the horizontal magnetic fields exhibit a strong anisotropy with the preferred direction nearly perpendicular to that for the electric field. This result implies the existence of strong electric currents flowing in the direction perpendicular to the above preferred direction for the magnetic field. The present method was also applied to the horizontal components of magnetic field variations observed at the seafloor. In this case, a magnetic observatory on land was taken as the reference station, and attenuation of the amplitude of horizontal magnetic field variation was examined. Anisotropy in attenuation was then found with the preferred direction perpendicular to the axis of the Okinawa trough where the seafloor measurement was undertaken.

Final analysis of proton form factor ratio data at Q2=4.0, 4.8, and 5.6 GeV2

NASA Astrophysics Data System (ADS)

Puckett, A. J. R.; Brash, E. J.; Gayou, O.; Jones, M. K.; Pentchev, L.; Perdrisat, C. F.; Punjabi, V.; Aniol, K. A.; Averett, T.; Benmokhtar, F.; Bertozzi, W.; Bimbot, L.; Calarco, J. R.; Cavata, C.; Chai, Z.; Chang, C.-C.; Chang, T.; Chen, J. P.; Chudakov, E.; De Leo, R.; Dieterich, S.; Endres, R.; Epstein, M. B.; Escoffier, S.; Fissum, K. G.; Fonvieille, H.; Frullani, S.; Gao, J.; Garibaldi, F.; Gilad, S.; Gilman, R.; Glamazdin, A.; Glashausser, C.; Gomez, J.; Hansen, J.-O.; Higinbotham, D.; Huber, G. M.; Iodice, M.; de Jager, C. W.; Jiang, X.; Khandaker, M.; Kozlov, S.; Kramer, K. M.; Kumbartzki, G.; LeRose, J. J.; Lhuillier, D.; Lindgren, R. A.; Liyanage, N.; Lolos, G. J.; Margaziotis, D. J.; Marie, F.; Markowitz, P.; McCormick, K.; Michaels, R.; Milbrath, B. D.; Nanda, S. K.; Neyret, D.; Piskunov, N. M.; Ransome, R. D.; Raue, B. A.; Roché, R.; Rvachev, M.; Salgado, C.; Sirca, S.; Sitnik, I.; Strauch, S.; Todor, L.; Tomasi-Gustafsson, E.; Urciuoli, G. M.; Voskanyan, H.; Wijesooriya, K.; Wojtsekhowski, B. B.; Zheng, X.; Zhu, L.

2012-04-01

Precise measurements of the proton electromagnetic form factor ratio R=μpGEp/GMp using the polarization transfer method at Jefferson Lab have revolutionized the understanding of nucleon structure by revealing the strong decrease of R with momentum transfer Q2 for Q2≳1 GeV2, in strong disagreement with previous extractions of R from cross-section measurements. In particular, the polarization transfer results have exposed the limits of applicability of the one-photon-exchange approximation and highlighted the role of quark orbital angular momentum in the nucleon structure. The GEp-II experiment in Jefferson Lab's Hall A measured R at four Q2 values in the range 3.5GeV2≤Q2≤5.6GeV2. A possible discrepancy between the originally published GEp-II results and more recent measurements at higher Q2 motivated a new analysis of the GEp-II data. This article presents the final results of the GEp-II experiment, including details of the new analysis, an expanded description of the apparatus, and an overview of theoretical progress since the original publication. The key result of the final analysis is a systematic increase in the results for R, improving the consistency of the polarization transfer data in the high-Q2 region. This increase is the result of an improved selection of elastic events which largely removes the systematic effect of the inelastic contamination, underestimated by the original analysis.

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

Kuzmina, M.G.

The polarized radiation transfer problems for slabs of weakly anisotropic optically active media are considered as the perturbations of the corresponding problems for isotropic ones. The perturbation method is developed for the integral transport equation and the estimate for the total perturbation of the solution due to the anisotropy of the medium is obtained.

[Polarization Modeling and Analysis of Light Scattering Properties of Multilayer Films on Slightly Rough Substrate].

PubMed

Gao, Hui; Gao, Jun; Wang, Ling-mei; Wang, Chi

2016-03-01

To satisfy the demand of multilayer films on polarization detection, polarized bidirectional reflectance distribution function of multilayer films on slightly rough substrate is established on the basis of first-order vector perturbation theory and polarization transfer matrix. Due to the function, light scattering polarization properties are studied under multi-factor impacts of two typical targets-monolayer anti-reflection film and multilayer high-reflection films. The result shows that for monolayer anti-reflection film, observing positions have a great influence on the degree of polarization, for the left of the peak increased and right decreased compared with the substrate target. Film target and bare substrate can be distinguished by the degree of polarization in different observation angles. For multilayer high-reflection films, the degree of polarization is significantly associated with the number and optical thickness of layers at different wavelengths of incident light and scattering angles. With the increase of the layer number, the degree of polarization near the mirror reflection area decreases. It reveals that the calculated results coincide with the experimental data, which validates the correctness and rationality of the model. This paper provides a theoretical method for polarization detection of multilayer films target and reflection stealth technology.

Influence of aerosols, clouds, and sunglint on polarization spectra of Earthshine

NASA Astrophysics Data System (ADS)

Emde, Claudia; Buras-Schnell, Robert; Sterzik, Michael; Bagnulo, Stefano

2017-08-01

Context. Ground-based observations of the Earthshine, I.e., the light scattered by Earth to the Moon, and then reflected back to Earth, simulate space observations of our planet and represent a powerful benchmark for the studies of Earth-like planets. Earthshine spectra are strongly linearly polarized, owing to scattering by molecules and small particles in the atmosphere of the Earth and surface reflection, and may allow us to measure global atmospheric and surface properties of planet Earth. Aims: We aim to interpret already published spectropolarimetric observations of the Earthshine by comparing them with new radiative transfer model simulations including a fully realistic three-dimensional (3D) surface-atmosphere model for planet Earth. Methods: We used the highly advanced Monte Carlo radiative transfer model MYSTIC to simulate polarized radiative transfer in the atmosphere of the Earth without approximations regarding the geometry, taking into account the polarization from surface reflection and multiple scattering by molecules, aerosol particles, cloud droplets, and ice crystals. Results: We have shown that Earth spectropolarimetry is highly sensitive to all these input parameters, and we have presented simulations of a fully realistic Earth atmosphere-surface model including 3D cloud fields and two-dimensional (2D) surface property maps. Our modeling results show that scattering in high ice water clouds and reflection from the ocean surface are crucial to explain the continuum polarization at longer wavelengths as has been reported in Earthshine observations taken at the Very Large Telescope in 2011 (3.8% and 6.6% at 800 nm, depending on which part of Earth was visible from the Moon at the time of the observations). We found that the relatively high degree of polarization of 6.6% can be attributed to light reflected by the ocean surface in the sunglint region. High ice-water clouds reduce the amount of absorption in the O2A band and thus explain the weak O2A band feature in the observations.

Joule heating and spin-transfer torque investigated on the atomic scale using a spin-polarized scanning tunneling microscope.

PubMed

Krause, S; Herzog, G; Schlenhoff, A; Sonntag, A; Wiesendanger, R

2011-10-28

The influence of a high spin-polarized tunnel current onto the switching behavior of a superparamagnetic nanoisland on a nonmagnetic substrate is investigated by means of spin-polarized scanning tunneling microscopy. A detailed lifetime analysis allows for a quantification of the effective temperature rise of the nanoisland and the modification of the activation energy barrier for magnetization reversal, thereby using the nanoisland as a local thermometer and spin-transfer torque analyzer. Both the Joule heating and spin-transfer torque are found to scale linearly with the tunnel current. The results are compared to experiments performed on lithographically fabricated magneto-tunnel junctions, revealing a very high spin-transfer torque switching efficiency in our experiments.

Room-temperature in situ nuclear spin hyperpolarization from optically pumped nitrogen vacancy centres in diamond

DOE PAGES

King, Jonathan P.; Jeong, Keunhong; Vassiliou, Christophoros C.; ...

2015-12-07

Low detection sensitivity stemming from the weak polarization of nuclear spins is a primary limitation of magnetic resonance spectroscopy and imaging. Methods have been developed to enhance nuclear spin polarization but they typically require high magnetic fields, cryogenic temperatures or sample transfer between magnets. Here we report bulk, room-temperature hyperpolarization of 13C nuclear spins observed via high-field magnetic resonance. The technique harnesses the high optically induced spin polarization of diamond nitrogen vacancy centres at room temperature in combination with dynamic nuclear polarization. We observe bulk nuclear spin polarization of 6%, an enhancement of ~170,000 over thermal equilibrium. The signal ofmore » the hyperpolarized spins was detected in situ with a standard nuclear magnetic resonance probe without the need for sample shuttling or precise crystal orientation. In conclusion, hyperpolarization via optical pumping/dynamic nuclear polarization should function at arbitrary magnetic fields enabling orders of magnitude sensitivity enhancement for nuclear magnetic resonance of solids and liquids under ambient conditions.« less

Spin exchange optical pumping based polarized 3He filling station for the Hybrid Spectrometer at the Spallation Neutron Source.

PubMed

Jiang, C Y; Tong, X; Brown, D R; Culbertson, H; Graves-Brook, M K; Hagen, M E; Kadron, B; Lee, W T; Robertson, J L; Winn, B

2013-06-01

The Hybrid Spectrometer (HYSPEC) is a new direct geometry spectrometer at the Spallation Neutron Source at the Oak Ridge National Laboratory. This instrument is equipped with polarization analysis capability with 60° horizontal and 15° vertical detector coverages. In order to provide wide angle polarization analysis for this instrument, we have designed and built a novel polarized (3)He filling station based on the spin exchange optical pumping method. It is designed to supply polarized (3)He gas to HYSPEC as a neutron polarization analyzer. In addition, the station can optimize the (3)He pressure with respect to the scattered neutron energies. The depolarized (3)He gas in the analyzer can be transferred back to the station to be repolarized. We have constructed the prototype filling station. Preliminary tests have been carried out demonstrating the feasibility of the filling station. Here, we report on the design, construction, and the preliminary results of the prototype filling station.

Finite element method formulation in polar coordinates for transient heat conduction problems

NASA Astrophysics Data System (ADS)

Duda, Piotr

2016-04-01

The aim of this paper is the formulation of the finite element method in polar coordinates to solve transient heat conduction problems. It is hard to find in the literature a formulation of the finite element method (FEM) in polar or cylindrical coordinates for the solution of heat transfer problems. This document shows how to apply the most often used boundary conditions. The global equation system is solved by the Crank-Nicolson method. The proposed algorithm is verified in three numerical tests. In the first example, the obtained transient temperature distribution is compared with the temperature obtained from the presented analytical solution. In the second numerical example, the variable boundary condition is assumed. In the last numerical example the component with the shape different than cylindrical is used. All examples show that the introduction of the polar coordinate system gives better results than in the Cartesian coordinate system. The finite element method formulation in polar coordinates is valuable since it provides a higher accuracy of the calculations without compacting the mesh in cylindrical or similar to tubular components. The proposed method can be applied for circular elements such as boiler drums, outlet headers, flux tubes. This algorithm can be useful during the solution of inverse problems, which do not allow for high density grid. This method can calculate the temperature distribution in the bodies of different properties in the circumferential and the radial direction. The presented algorithm can be developed for other coordinate systems. The examples demonstrate a good accuracy and stability of the proposed method.

Spin-locking and cross-polarization under magic-angle spinning of uniformly labeled solids.

PubMed

Hung, Ivan; Gan, Zhehong

2015-07-01

Spin-locking and cross-polarization under magic-angle spinning are investigated for uniformly (13)C and (15)N labeled solids. In particular, the interferences from chemical shift anisotropy, and (1)H heteronuclear and (13)C homonuclear dipolar couplings are identified. The physical origin of these interferences provides guidelines for selecting the best (13)C and (15)N polarization transfer rf fields. Optimal settings for both the zero- and double-quantum cross-polarization transfer mechanisms are recommended. Copyright © 2015 Elsevier Inc. All rights reserved.

Fundamentals of human embryonic growth in vitro and the selection of high-quality embryos for transfer.

PubMed

Boiso, Irene; Veiga, Anna; Edwards, Robert G

2002-01-01

Knowledge of the nature of embryo growth, and the handling and scoring of quality in human embryos are significant aspects for embryologists in IVF clinics. This review describes the formation, growth and maturation of human oocytes, many aspects of fertilization in vitro, embryonic transcription during preimplantation stages, and the formation of polarities, timing controls, role of mitochondria and functions of endocrine and paracrine systems. Modern concepts are fully discussed, together with their significance in the practice of IVF. This knowledge is essential for the correct clinical care of human embryos growing in vitro, especially in view of their uncharacteristic tendency to vary widely in implantation potential. Underlying causes of such variation have not been identified. Stringent tests must be enforced to ensure human embryos develop under optimal conditions, and are scored for quality using the most advanced techniques. Optimal methods of culture are described, including methods such as co-culture introduced to improve embryo quality but less important today. Detailed attention is given to quality as assessed from embryonic characteristics determined by timers, polarities, disturbed embryo growth and anomalous cell cycles. Methods for classification are described. Approaches to single embryo transfers are described, including the use of sequential media to produce high-quality blastocysts. These approaches, and others involved in surgical methods to remove fragments, transfer ooplasm or utilize newer approaches such as preimplantation diagnosis of chromosomal complements in embryos are covered. New outlooks in this field are summarized.

Polarization transfer in the {sup 4}He(e(pol), e'p(pol)) {sup 3}He reaction at Q{sup 2} = 0.8 and 1.3 GeV/c){sup 2}.

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

Paolone, M.; Malace, S. P.; Strauch, S.

2010-08-12

Proton recoil polarization was measured in the quasielastic 4He(e(pol),e{prime}p(pol)){sup 3}H reaction at Q{sup 2}=0.8 and 1.3(GeV/c){sup 2} with unprecedented precision. The polarization-transfer coefficients are found to differ from those of the {sup 1}H(e(pol),e{prime}p(pol)) reaction, contradicting a relativistic distorted-wave approximation and favoring either the inclusion of medium-modified proton form factors predicted by the quark-meson coupling model or a spin-dependent charge-exchange final-state interaction. For the first time, the polarization-transfer ratio is studied as a function of the virtuality of the proton.

Polarization Enhanced Charge Transfer: Dual-Band GaN-Based Plasmonic Photodetector.

PubMed

Jia, Ran; Zhao, Dongfang; Gao, Naikun; Liu, Duo

2017-01-13

Here, we report a dual-band plasmonic photodetector based on Ga-polar gallium nitride (GaN) for highly sensitive detection of UV and green light. We discover that decoration of Au nanoparticles (NPs) drastically increases the photoelectric responsivities by more than 50 times in comparition to the blank GaN photodetector. The observed behaviors are attributed to polarization enhanced charge transfer of optically excited hot electrons from Au NPs to GaN driven by the strong spontaneous polarization field of Ga-polar GaN. Moreover, defect ionization promoted by localized surface plasmon resonances (LSPRs) is also discussed. This novel type of photodetector may shed light on the design and fabrication of photoelectric devices based on polar semiconductors and microstructural defects.

Orphan spin operators enable the acquisition of multiple 2D and 3D magic angle spinning solid-state NMR spectra

NASA Astrophysics Data System (ADS)

Gopinath, T.; Veglia, Gianluigi

2013-05-01

We propose a general method that enables the acquisition of multiple 2D and 3D solid-state NMR spectra for U-13C, 15N-labeled proteins. This method, called MEIOSIS (Multiple ExperIments via Orphan SpIn operatorS), makes it possible to detect four coherence transfer pathways simultaneously, utilizing orphan (i.e., neglected) spin operators of nuclear spin polarization generated during 15N-13C cross polarization (CP). In the MEIOSIS experiments, two phase-encoded free-induction decays are decoded into independent nuclear polarization pathways using Hadamard transformations. As a proof of principle, we show the acquisition of multiple 2D and 3D spectra of U-13C, 15N-labeled microcrystalline ubiquitin. Hadamard decoding of CP coherences into multiple independent spin operators is a new concept in solid-state NMR and is extendable to many other multidimensional experiments. The MEIOSIS method will increase the throughput of solid-state NMR techniques for microcrystalline proteins, membrane proteins, and protein fibrils.

Discrete and continuum modeling of solvent effects in a twisted intramolecular charge transfer system: The 4-N,N-dimethylaminobenzonitrile (DMABN) molecule.

PubMed

Modesto-Costa, Lucas; Borges, Itamar

2018-08-05

The 4-N,N-dimethylaminobenzonitrile (DMABN) molecule is a prototypical system displaying twisted intramolecular (TICT) charge transfer effects. The ground and the first four electronic excited states (S 1 -S 4 ) in gas phase and upon solvation were studied. Charge transfer values as function of the torsion angle between the donor group (dimethylamine) and the acceptor moiety (benzonitrile) were explicitly computed. Potential energy curves were also obtained. The algebraic diagrammatic construction method at the second-order [ADC(2)] ab initio wave function was employed. Three solvents of increased polarities (benzene, DMSO and water) were investigated using discrete (average solvent electrostatic configuration - ASEC) and continuum (conductor-like screening model - COSMO) models. The results for the S 3 and S 4 excited states and the S 1 -S 4 charge transfer curves were not previously available in the literature. Electronic gas phase and solvent vertical spectra are in good agreement with previous theoretical and experimental results. In the twisted (90°) geometry the optical oscillator strengths have negligible values even for the S 2 bright state. Potential energy curves show two distinct pairs of curves intersecting at decreasing angles or not crossing in the more polar solvents. Charge transfer and electric dipole values allowed the rationalization of these results. The former effects are mostly independent of the solvent model and polarity. Although COSMO and ASEC solvent models mostly lead to similar results, there is an important difference: some crossings of the excitation energy curves appear only in the ASEC solvation model, which has important implications to the photochemistry of DMABN. Copyright © 2018 Elsevier B.V. All rights reserved.

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

Li, Chen; Shen, Xuan; Yang, Yurong

Perovskite RAlO 3 (R = La, Nd, Sm, and Gd) films have been deposited epitaxially on (001) TiO 2-terminated SrTiO 3 substrates. In this paper, it is observed that the two-dimensional transport characteristics at the RAlO 3/SrTiO 3 interfaces are very sensitive to the species of rare-earth element, that is to chemical strain. Although electron energy loss spectroscopy measurements show that electron transfer occurs in all the four polar/nonpolar heterostructures, the amount of electrons transferred across SmAlO 3/SrTiO 3 and GdAlO 3/SrTiO 3 interfaces are much less than those across LaAlO 3/SrTiO 3 and NdAlO 3/SrTiO 3 interfaces. First-principles calculationsmore » reveal the competition between ionic polarization and electronic polarization in the polar layers in compensating the build-in polarization due to the polar discontinuity at the interface. Finally, in particular, a large ionic polarization is found in SmAlO 3/SrTiO 3 and GdAlO 3/SrTiO 3 systems (which experience the largest tensile epitaxial strain), hence reducing the amount of electrons transferred.« less

Resonance-inclined optical nuclear spin polarization of liquids in diamond structures

NASA Astrophysics Data System (ADS)

Chen, Q.; Schwarz, I.; Jelezko, F.; Retzker, A.; Plenio, M. B.

2016-02-01

Dynamic nuclear polarization (DNP) of molecules in a solution at room temperature has the potential to revolutionize nuclear magnetic resonance spectroscopy and imaging. The prevalent methods for achieving DNP in solutions are typically most effective in the regime of small interaction correlation times between the electron and nuclear spins, limiting the size of accessible molecules. To solve this limitation, we design a mechanism for DNP in the liquid phase that is applicable for large interaction correlation times. Importantly, while this mechanism makes use of a resonance condition similar to solid-state DNP, the polarization transfer is robust to a relatively large detuning from the resonance due to molecular motion. We combine this scheme with optically polarized nitrogen-vacancy (NV) center spins in nanodiamonds to design a setup that employs optical pumping and is therefore not limited by room temperature electron thermal polarization. We illustrate numerically the effectiveness of the model in a flow cell containing nanodiamonds immobilized in a hydrogel, polarizing flowing water molecules 4700-fold above thermal polarization in a magnetic field of 0.35 T, in volumes detectable by current NMR scanners.

Numerical Study on the Effect of Electrode Polarity on Desulfurization in Direct Current Electroslag Remelting Process

NASA Astrophysics Data System (ADS)

Wang, Qiang; Liu, Yu; Wang, Fang; Li, Guangqiang; Li, Baokuan; Qiao, Wenwei

2017-10-01

In order to clarify the influence of electrode polarity on desulfurization in direct current (DC) electroslag remelting process, a transient three-dimensional coupled mathematical model has been established. The finite volume method was invoked to simultaneously solve the mass, momentum, energy, and species conservation equations. The Joule heating and Lorentz force were fully coupled through calculating Maxwell's equations with the assistance of the magnetic potential vector. The motion of the metal-slag interface was described by using the volume of fluid approach. An auxiliary metallurgical kinetics module was introduced to determine the thermochemical and the electrochemical reaction rates. A reasonable agreement between the measured data and the simulated results are observed. A longer time and a larger area for the desulfurization can be provided by the metal pool-slag interface when compared with the metal droplet-slag interface. The electrochemical transfer rate at the metal pool-slag interface is positive in the DC reverse polarity (DCRP) remelting, while in the DC straight polarity (DCSP) remelting, the electrochemical transfer rate is negative at this interface. The desulfurization progress in the DCSP remelting thus is fall behind that in the DCRP remelting. The desulfurization rate of the DCRP remelting is around 70 pct and the rate of the DCSP remelting is about 40 pct.

Template-grown NiFe/Cu/NiFe nanowires for spin transfer devices.

PubMed

Piraux, Luc; Renard, Krystel; Guillemet, Raphael; Matéfi-Tempfli, Stefan; Matéfi-Tempfli, Maria; Antohe, Vlad Andrei; Fusil, Stéphane; Bouzehouane, Karim; Cros, Vincent

2007-09-01

We have developed a new reliable method combining template synthesis and nanolithography-based contacting technique to elaborate current perpendicular-to-plane giant magnetoresistance spin valve nanowires, which are very promising for the exploration of electrical spin transfer phenomena. The method allows the electrical connection of one single nanowire in a large assembly of wires embedded in anodic porous alumina supported on Si substrate with diameters and periodicities to be controllable to a large extent. Both magnetic excitations and switching phenomena driven by a spin-polarized current were clearly demonstrated in our electrodeposited NiFe/Cu/ NiFe trilayer nanowires. This novel approach promises to be of strong interest for subsequent fabrication of phase-locked arrays of spin transfer nano-oscillators with increased output power for microwave applications.

Seebeck Effects in N-Type and P-Type Polymers Driven Simultaneously by Surface Polarization and Entropy Differences Based on Conductor/Polymer/Conductor Thin-Film Devices

DOE PAGES

Hu, Dehua; Liu, Qing; Tisdale, Jeremy; ...

2015-04-15

This paper reports Seebeck effects driven by both surface polarization difference and entropy difference by using intramolecular charge-transfer states in n-type and p-type conjugated polymers, namely IIDT and IIDDT, based on vertical conductor/polymer/conductor thin-film devices. Large Seebeck coefficients of -898 V/K and 1300 V/K from are observed from n-type IIDT p-type IIDDT, respectively, when the charge-transfer states are generated by a white light illumination of 100 mW/cm2. Simultaneously, electrical conductivities are increased from almost insulating states in dark condition to conducting states under photoexcitation in both n-type IIDT and p-type IIDDT devices. We find that the intramolecular charge-transfer states canmore » largely enhance Seebeck effects in the n-type IIDT and p-type IIDDT devices driven by both surface polarization difference and entropy difference. Furthermore, the Seebeck effects can be shifted between polarization and entropy regimes when electrical conductivities are changed. This reveals a new concept to develop Seebeck effects by controlling polarization and entropy regimes based on charge-transfer states in vertical conductor/polymer/conductor thin-film devices.« less

Radiation transfer and stellar atmospheres

NASA Astrophysics Data System (ADS)

Swihart, T. L.

This is a revised and expanded version of the author's Basic Physics of Stellar Atmospheres, published in 1971. The equation of transfer is considered, taking into account the intensity and derived quantities, the absorption coefficient, the emission coefficient, the source function, and special integrals for plane media. The gray atmosphere is discussed along with the nongray atmosphere, and aspects of line formation. Topics related to polarization are explored, giving attention to pure polarized radiation, general polarized radiation, transfer in a magnetic plasma, and Rayleigh scattering and the sunlit sky. Physical and astronomical constants, and a number of problems related to the subjects of the book are presented in an appendix.

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

NASA Astrophysics Data System (ADS)

Carnevale, Diego; Ji, Xiao; Bodenhausen, Geoffrey

2017-11-01

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

Substituent and Solvent Effects on Excited State Charge Transfer Behavior of Highly Fluorescent Dyes Containing Thiophenylimidazole-Based Aldehydes

NASA Technical Reports Server (NTRS)

Santos, Javier; Bu, Xiu R.; Mintz, Eric A.

2001-01-01

The excited state charge transfer for a series of highly fluorescent dyes containing thiophenylimidazole moiety was investigated. These systems follow the Twisted Intramolecular Charge Transfer (TICT) model. Dual fluorescence was observed for each substituted dye. X-ray structures analysis reveals a twisted ground state geometry for the donor substituted aryl on the 4 and 5 position at the imidazole ring. The excited state charge transfer was modeled by a linear solvation energy relationship using Taft's pi and Dimroth's E(sub T)(30) as solvent parameters. There is linear relation between the energy of the fluorescence transition and solvent polarity. The degree of stabilization of the excited state charge transfer was found to be consistent with the intramolecular molecular charge transfer. Excited dipole moment was studied by utilizing the solvatochromic shift method.

Quantifying highly efficient incoherent energy transfer in perylene-based multichromophore arrays.

PubMed

Webb, James E A; Chen, Kai; Prasad, Shyamal K K; Wojciechowski, Jonathan P; Falber, Alexander; Thordarson, Pall; Hodgkiss, Justin M

2016-01-21

Multichromophore perylene arrays were designed and synthesized to have extremely efficient resonance energy transfer. Using broadband ultrafast photoluminescence and transient absorption spectroscopies, transfer timescales of approximately 1 picosecond were resolved, corresponding to efficiencies of up to 99.98%. The broadband measurements also revealed spectra corresponding to incoherent transfer between localized states. Polarization resolved spectroscopy was used to measure the dipolar angles between donor and acceptor chromophores, thereby enabling geometric factors to be fixed when assessing the validity of Förster theory in this regime. Förster theory was found to predict the correct magnitude of transfer rates, with measured ∼2-fold deviations consistent with the breakdown of the point-dipole approximation at close approach. The materials presented, along with the novel methods for quantifying ultrahigh energy transfer efficiencies, will be valuable for applications demanding extremely efficient energy transfer, including fluorescent solar concentrators, optical gain, and photonic logic devices.

Microwave Polarized Signatures Generated within Cloud Systems: SSM/I Observations Interpreted with Radiative Transfer Simulations

NASA Technical Reports Server (NTRS)

Prigent, Catherine; Pardo, Juan R.; Mishchenko, Michael I.; Rossow, Willaim B.; Hansen, James E. (Technical Monitor)

2001-01-01

Special Sensor Microwave /Imager (SSM/I) observations in cloud systems are studied over the tropics. Over optically thick cloud systems, presence of polarized signatures at 37 and 85 GHz is evidenced and analyzed with the help of cloud top temperature and optical thickness extracted from visible and IR satellite observations. Scattering signatures at 85 GHz (TbV(85) less than or = 250 K) are associated with polarization differences greater than or = 6 K, approx. 50%, of the time over ocean and approx. 40% over land. In addition. over thick clouds the polarization difference at 37 GHz is rarely negligible. The polarization differences at 37 and 85 GHz do not stem from the surface but are generated in regions of relatively homogeneous clouds having high liquid water content. To interpret the observations, a radiative transfer model that includes the scattering by non-spherical particles is developed. based on the T-matrix approach and using the doubling and adding method. In addition to handling randomly and perfectly oriented particles, this model can also simulate the effect of partial orientation of the hydrometeors. Microwave brightness temperatures are simulated at SSM/I frequencies and are compared with the observations. Polarization differences of approx. 2 K can be simulated at 37 GHz over a rain layer, even using spherical drops. The polarization difference is larger for oriented non-spherical particles. The 85 GHz simulations are very sensitive to the ice phase of the cloud. Simulations with spherical particles or with randomly oriented non-spherical ice particles cannot replicate the observed polarization differences. However, with partially oriented non-spherical particles, the observed polarized signatures at 85 GHz are explained, and the sensitivity of the scattering characteristics to the particle size, asphericity, and orientation is analyzed. Implications on rain and ice retrievals are discussed.

Evaluation of Alkylamine Modified Pt Nanoparticles as Oxygen Reduction Reaction Electrocatalyst for Fuel Cells via Electrochemical Impedance Spectroscopy.

PubMed

Joshi, Prerna; Okada, Toshihiko; Miyabayashi, Keiko; Miyake, Mikio

2018-05-15

Organically (octyl amine, OA) surface modified electrocatalyst (OA-Pt/CB) was studied for its oxygen reduction reaction (ORR) activity via dc methods and its charge and mass transfer properties were studied via electrochemical impedance spectroscopy (EIS). Comparison with a commercial catalyst (TEC10V30E) with similar Pt content was also carried out. In EIS, both the catalysts showed a single time-constant with an emerging high-frequency semicircle of very small diameter which was fitted using suitable equivalent circuits. The organically modified catalyst showed lower charge-transfer resistance and hence, low polarization resistance in high potential region as compared to the commercial catalyst. The dominance of kinetic processes was observed at 0.925-1.000 V, whereas domination of diffusion based processes was observed at lower potential region for the organic catalyst. No effect due to the presence of carbon was observed in the EIS spectra. Using the hydrodynamic method, higher current penetration depth was obtained for the organically modified catalyst at 1600 rpm. Exchange current density and Tafel slopes for both the electrocatalysts were calculated from the polarization resistance obtained from EIS which was in correlation with the results obtained from dc methods.

OSOAA: A Vector Radiative Transfer Model of Coupled Atmosphere-Ocean System for a Rough Sea Surface Application to the Estimates of the Directional Variations of the Water Leaving Reflectance to Better Process Multi-angular Satellite Sensors Data Over the Ocean

NASA Technical Reports Server (NTRS)

Chami, Malik; LaFrance, Bruno; Fougnie, Bertrand; Chowdhary, Jacek; Harmel, Tristan; Waquet, Fabien

2015-01-01

In this study, we present a radiative transfer model, so-called OSOAA, that is able to predict the radiance and degree of polarization within the coupled atmosphere-ocean system in the presence of a rough sea surface. The OSOAA model solves the radiative transfer equation using the successive orders of scattering method. Comparisons with another operational radiative transfer model showed a satisfactory agreement within 0.8%. The OSOAA model has been designed with a graphical user interface to make it user friendly for the community. The radiance and degree of polarization are provided at any level, from the top of atmosphere to the ocean bottom. An application of the OSOAA model is carried out to quantify the directional variations of the water leaving reflectance and degree of polarization for phytoplankton and mineral-like dominated waters. The difference between the water leaving reflectance at a given geometry and that obtained for the nadir direction could reach 40%, thus questioning the Lambertian assumption of the sea surface that is used by inverse satellite algorithms dedicated to multi-angular sensors. It is shown as well that the directional features of the water leaving reflectance are weakly dependent on wind speed. The quantification of the directional variations of the water leaving reflectance obtained in this study should help to correctly exploit the satellite data that will be acquired by the current or forthcoming multi-angular satellite sensors.

Polarization-controlled optimal scatter suppression in transient absorption spectroscopy

PubMed Central

Malý, Pavel; Ravensbergen, Janneke; Kennis, John T. M.; van Grondelle, Rienk; Croce, Roberta; Mančal, Tomáš; van Oort, Bart

2017-01-01

Ultrafast transient absorption spectroscopy is a powerful technique to study fast photo-induced processes, such as electron, proton and energy transfer, isomerization and molecular dynamics, in a diverse range of samples, including solid state materials and proteins. Many such experiments suffer from signal distortion by scattered excitation light, in particular close to the excitation (pump) frequency. Scattered light can be effectively suppressed by a polarizer oriented perpendicular to the excitation polarization and positioned behind the sample in the optical path of the probe beam. However, this introduces anisotropic polarization contributions into the recorded signal. We present an approach based on setting specific polarizations of the pump and probe pulses, combined with a polarizer behind the sample. Together, this controls the signal-to-scatter ratio (SSR), while maintaining isotropic signal. We present SSR for the full range of polarizations and analytically derive the optimal configuration at angles of 40.5° between probe and pump and of 66.9° between polarizer and pump polarizations. This improves SSR by (or compared to polarizer parallel to probe). The calculations are validated by transient absorption experiments on the common fluorescent dye Rhodamine B. This approach provides a simple method to considerably improve the SSR in transient absorption spectroscopy. PMID:28262765

Effect of polarized radiative transfer on the Hanle magnetic field determination in prominences: Analysis of hydrogen H alpha line observations at Pic-du-Midi

NASA Technical Reports Server (NTRS)

Bommier, V.; Deglinnocenti, E. L.; Leroy, J. L.; Sahal-Brechot, S.

1985-01-01

The linear polarization of the Hydrogen H alpha line of prominences has been computed, taking into account the effect of a magnetic field (Hanle effect), of the radiative transfer in the prominence, and of the depolarization due to collisions with the surrounding electrons and protons. The corresponding formalisms are developed in a forthcoming series of papers. In this paper, the main features of the computation method are summarized. The results of computation have been used for interpretation in terms of magnetic field vector measurements from H alpha polarimetric observations in prominences performed at Pic-du-Midi coronagraph-polarimeter. Simultaneous observations in one optically thin line (He I D(3)) and one optically thick line (H alpha) give an opportunity for solving the ambiguity on the field vector determination.

Spectrophotometric and spectroscopic studies of charge transfer complexes of p-toluidine as an electron donor with picric acid as an electron acceptor in different solvents

NASA Astrophysics Data System (ADS)

Singh, Neeti; Khan, Ishaat M.; Ahmad, Afaq

2010-04-01

The charge transfer complexes of the donor p-toluidine with π-acceptor picric acid have been studied spectrophotometrically in various solvents such as carbon tetrachloride, chloroform, dichloromethane acetone, ethanol, and methanol at room temperature using absorption spectrophotometer. The results indicate that formation of CTC in non-polar solvent is high. The stoichiometry of the complex was found to be 1:1 ratio by straight-line method between donor and acceptor with maximum absorption bands. The data are discussed in terms of formation constant ( KCT), molar extinction coefficient ( ɛCT), standard free energy (Δ Go), oscillator strength ( f), transition dipole moment ( μEN), resonance energy ( RN) and ionization potential ( ID). The results indicate that the formation constant ( KCT) for the complex was shown to be dependent upon the nature of electron acceptor, donor and polarity of solvents that were used.

Markov chain formalism for generalized radiative transfer in a plane-parallel medium, accounting for polarization

NASA Astrophysics Data System (ADS)

Xu, Feng; Davis, Anthony B.; Diner, David J.

2016-11-01

A Markov chain formalism is developed for computing the transport of polarized radiation according to Generalized Radiative Transfer (GRT) theory, which was developed recently to account for unresolved random fluctuations of scattering particle density and can also be applied to unresolved spectral variability of gaseous absorption as an improvement over the standard correlated-k method. Using Gamma distribution to describe the probability density function of the extinction or absorption coefficient, a shape parameter a that quantifies the variability is introduced, defined as the mean extinction or absorption coefficient squared divided by its variance. It controls the decay rate of a power-law transmission that replaces the usual exponential Beer-Lambert-Bouguer law. Exponential transmission, hence classic RT, is recovered when a→∞. The new approach is verified to high accuracy against numerical benchmark results obtained with a custom Monte Carlo method. For a<∞, angular reciprocity is violated to a degree that increases with the spatial variability, as observed for finite portions of real-world cloudy scenes. While the degree of linear polarization in liquid water cloudbows, supernumerary bows, and glories is affected by spatial heterogeneity, the positions in scattering angle of these features are relatively unchanged. As a result, a single-scattering model based on the assumption of subpixel homogeneity can still be used to derive droplet size distributions from polarimetric measurements of extended stratocumulus clouds.

Effect of atmospheric refraction on radiative transfer in visible and near-infrared band: Model development, validation, and applications

NASA Astrophysics Data System (ADS)

Hu, Shuai; Gao, Tai-chang; Li, Hao; Liu, Lei; Liu, Xi-chuan; Zhang, Ting; Cheng, Tian-ji; Li, Wan-tong; Dai, Zhong-hua; Su, Xiaojian

2016-03-01

Refraction is an important factor influencing radiative transfer since it can modify the propagation trajectory and polarization states of lights; therefore, it is necessary to quantitively evaluate the effect of atmospheric refraction on radiative transfer process. To this end, a new atmospheric radiative transfer model including refraction process is proposed. The model accuracy is validated against benchmark results, literature results, and well-tested radiative transfer models such as discrete coordinate method and RT3/PolRadtran. The impact of atmospheric refraction on both polarized radiance and fluxes is discussed for pure Rayleigh scattering atmosphere, atmosphere with aerosol, and cloud. The results show that atmospheric refraction has a significant influence on both the radiance and polarization states of diffuse light, where the relative change of the radiance of reflected light and transmitted light due to refraction can achieve 6.3% and 7.4% for Rayleigh scattering atmosphere, 7.2% and 7.8% for atmosphere with aerosol, and 6.2% and 6.8% for cloudy atmosphere, respectively. The relative change of the degree of polarization ranges from near zero in the horizon to 9.5% near neutral points. The angular distribution pattern of the relative change of the radiance for atmosphere with aerosol and cloud is very similar to that for pure Rayleigh scattering case, where its magnitude decreases gradually with the increasing of zenith angle for reflected light; but for transmitted light, the variation characteristics is opposite. The impact of refraction is gradually enhanced with the increasing of solar zenith angles and the optical depth of aerosol and cloud. As the wavelength of incident light increases, the impact declines rapidly for Rayleigh scattering medium. The relative change of the fluxes due to refraction is most notable for Middle Latitude Winter profile (about 8.2043% and 7.3225% for the transmitted and reflected light, respectively, at 0.35 µm). With increasing the optical depth of aerosol, the influence of refraction on the fluxes is gradually enhanced. For cloudy atmosphere, the relative changes of the fluxes due to refraction are not very sensitive to the variation of cloud optical depth and effective radius of cloud drops.

Backward and forward Monte Carlo method for vector radiative transfer in a two-dimensional graded index medium

NASA Astrophysics Data System (ADS)

Qian, Lin-Feng; Shi, Guo-Dong; Huang, Yong; Xing, Yu-Ming

2017-10-01

In vector radiative transfer, backward ray tracing is seldom used. We present a backward and forward Monte Carlo method to simulate vector radiative transfer in a two-dimensional graded index medium, which is new and different from the conventional Monte Carlo method. The backward and forward Monte Carlo method involves dividing the ray tracing into two processes backward tracing and forward tracing. In multidimensional graded index media, the trajectory of a ray is usually a three-dimensional curve. During the transport of a polarization ellipse, the curved ray trajectory will induce geometrical effects and cause Stokes parameters to continuously change. The solution processes for a non-scattering medium and an anisotropic scattering medium are analysed. We also analyse some parameters that influence the Stokes vector in two-dimensional graded index media. The research shows that the Q component of the Stokes vector cannot be ignored. However, the U and V components of the Stokes vector are very small.

Investigating dust trapping in transition disks with millimeter-wave polarization

NASA Astrophysics Data System (ADS)

Pohl, A.; Kataoka, A.; Pinilla, P.; Dullemond, C. P.; Henning, Th.; Birnstiel, T.

2016-08-01

Context. Spatially resolved polarized (sub-)mm emission has been observed for example in the protoplanetary disk around HL Tau. Magnetically aligned grains are commonly interpreted as the source of polarization. However, self-scattering by large dust grains with a high enough albedo is another polarization mechanism, which is becoming a compelling method independent of the spectral index to constrain the dust grain size in protoplanetary disks. Aims: We study the dust polarization at mm wavelengths in the dust trapping scenario proposed for transition disks, when a giant planet opens a gap in the disk. We investigate the characteristic polarization patterns and their dependence on disk inclination, dust size evolution, planet position, and observing wavelength. Methods: We combine two-dimensional hydrodynamical simulations of planet-disk interactions with self-consistent dust growth models. These size-dependent dust density distributions are used for follow-up three-dimensional radiative transfer calculations to predict the polarization degree at ALMA bands due to scattered thermal emission. Results: Dust self-scattering has been proven to be a viable mechanism for producing polarized mm-wave radiation. We find that the polarization pattern of a disk with a planetary gap after 1 Myr of dust evolution shows a distinctive three-ring structure. Two narrow inner rings are located at the planet gap edges. A third wider ring of polarization is situated in the outer disk beyond 100 au. For increasing observing wavelengths, all three rings change their position slightly, where the innermost and outermost rings move inward. This distance is detectable when comparing the results at ALMA bands 3, 6, and 7. Within the highest polarized intensity regions the polarization vectors are oriented in the azimuthal direction. For an inclined disk there is an interplay between polarization originating from a flux gradient and inclination-induced quadrupole polarization. For intermediate inclined transition disks, the polarization degree is as high as ~2% at λ = 3.1 mm (band 3), which is well above the detection limit of future ALMA observations.

Polarization Spectroscopy and Collisions in NaK

NASA Astrophysics Data System (ADS)

Wolfe, C. M.; Ashman, S.; Huennekens, J.; Beser, B.; Bai, J.; Lyyra, A. M.

2009-05-01

We report current work to study transfer of population and orientation in collisions of NaK molecules with argon and potassium atoms using polarization labeling (PL) and laser-induced fluorescence (LIF) spectroscopy. In the PL experiment, a circularly polarized pump laser excites a specific NaK A^1&+circ;(v=16, J) <- X^1&+circ;(v=0, J±1) transition, creating an orientation (non-uniform MJ level distribution) in both levels. The linear polarized probe laser is scanned over various 3^1π(v=8, J' ±1) <- A^1&+circ;(v=16, J') transitions. The probe laser passes through a crossed linear polarizer before detection, and signal is recorded if the probe laser polarization has been modified by the vapor (which occurs when it comes into resonance with an oriented level). In addition to strong direct transitions (J' = J), we also observe weak collisional satellite lines (J' = J±n with n = 1, 2, 3, ...) indicating that orientation is transferred to adjacent rotational levels during a collision. An LIF experiment (with linear polarized pump and probe beams) gives information on the collisional transfer of population. From these data, cross sections for both processes can be determined. We experimentally distinguish collisions of NaK with argon atoms from collisions with alkali atoms.

Chemical strain-dependent two-dimensional transport at R AlO 3 / SrTiO 3 interfaces ( R = La , Nd , Sm , and Gd )

DOE PAGES

Li, Chen; Shen, Xuan; Yang, Yurong; ...

2016-12-27

Perovskite RAlO 3 (R = La, Nd, Sm, and Gd) films have been deposited epitaxially on (001) TiO 2-terminated SrTiO 3 substrates. In this paper, it is observed that the two-dimensional transport characteristics at the RAlO 3/SrTiO 3 interfaces are very sensitive to the species of rare-earth element, that is to chemical strain. Although electron energy loss spectroscopy measurements show that electron transfer occurs in all the four polar/nonpolar heterostructures, the amount of electrons transferred across SmAlO 3/SrTiO 3 and GdAlO 3/SrTiO 3 interfaces are much less than those across LaAlO 3/SrTiO 3 and NdAlO 3/SrTiO 3 interfaces. First-principles calculationsmore » reveal the competition between ionic polarization and electronic polarization in the polar layers in compensating the build-in polarization due to the polar discontinuity at the interface. Finally, in particular, a large ionic polarization is found in SmAlO 3/SrTiO 3 and GdAlO 3/SrTiO 3 systems (which experience the largest tensile epitaxial strain), hence reducing the amount of electrons transferred.« less

Polarimetric signatures of a coniferous forest canopy based on vector radiative transfer theory

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.; Amar, F.; Mougin, E.; Lopes, A.; Beaudoin, A.

1992-01-01

Complete polarization signatures of a coniferous forest canopy are studied by the iterative solution of the vector radiative transfer equations up to the second order. The forest canopy constituents (leaves, branches, stems, and trunk) are embedded in a multi-layered medium over a rough interface. The branches, stems and trunk scatterers are modeled as finite randomly oriented cylinders. The leaves are modeled as randomly oriented needles. For a plane wave exciting the canopy, the average Mueller matrix is formulated in terms of the iterative solution of the radiative transfer solution and used to determine the linearly polarized backscattering coefficients, the co-polarized and cross-polarized power returns, and the phase difference statistics. Numerical results are presented to investigate the effect of transmitting and receiving antenna configurations on the polarimetric signature of a pine forest. Comparison is made with measurements.

Quantum coherent π-electron rotations in a non-planar chiral molecule induced by using a linearly polarized UV laser pulse

NASA Astrophysics Data System (ADS)

Mineo, Hirobumi; Fujimura, Yuichi

2015-06-01

We propose an ultrafast quantum switching method of π-electron rotations, which are switched among four rotational patterns in a nonplanar chiral aromatic molecule (P)-2,2’- biphenol and perform the sequential switching among four rotational patterns which are performed by the overlapped pump-dump laser pulses. Coherent π-electron dynamics are generated by applying the linearly polarized UV pulse laser to create a pair of coherent quasidegenerated excited states. We also plot the time-dependent π-electron ring current, and discussed ring current transfer between two aromatic rings.

Reversible interactions with para-hydrogen enhance NMR sensitivity by polarization transfer.

PubMed

Adams, Ralph W; Aguilar, Juan A; Atkinson, Kevin D; Cowley, Michael J; Elliott, Paul I P; Duckett, Simon B; Green, Gary G R; Khazal, Iman G; López-Serrano, Joaquín; Williamson, David C

2009-03-27

The sensitivity of both nuclear magnetic resonance spectroscopy and magnetic resonance imaging is very low because the detected signal strength depends on the small population difference between spin states even in high magnetic fields. Hyperpolarization methods can be used to increase this difference and thereby enhance signal strength. This has been achieved previously by incorporating the molecular spin singlet para-hydrogen into hydrogenation reaction products. We show here that a metal complex can facilitate the reversible interaction of para-hydrogen with a suitable organic substrate such that up to an 800-fold increase in proton, carbon, and nitrogen signal strengths are seen for the substrate without its hydrogenation. These polarized signals can be selectively detected when combined with methods that suppress background signals.

Charge transfer polarisation wave in high Tc oxides and superconductive pairing

NASA Technical Reports Server (NTRS)

Chakraverty, B. K.

1991-01-01

A general formalism of quantized charge transfer polarization waves was developed. The nature of possible superconductive pairing between oxygen holes is discussed. Unlike optical phonons, these polarization fields will give rise to dielectric bipolarons or bipolaron bubbles. In the weak coupling limit, a new class of superconductivity is to be expected.

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

Hu, Dehua; Liu, Qing; Tisdale, Jeremy

This paper reports Seebeck effects driven by both surface polarization difference and entropy difference by using intramolecular charge-transfer states in n-type and p-type conjugated polymers, namely IIDT and IIDDT, based on vertical conductor/polymer/conductor thin-film devices. Large Seebeck coefficients of -898 V/K and 1300 V/K from are observed from n-type IIDT p-type IIDDT, respectively, when the charge-transfer states are generated by a white light illumination of 100 mW/cm2. Simultaneously, electrical conductivities are increased from almost insulating states in dark condition to conducting states under photoexcitation in both n-type IIDT and p-type IIDDT devices. We find that the intramolecular charge-transfer states canmore » largely enhance Seebeck effects in the n-type IIDT and p-type IIDDT devices driven by both surface polarization difference and entropy difference. Furthermore, the Seebeck effects can be shifted between polarization and entropy regimes when electrical conductivities are changed. This reveals a new concept to develop Seebeck effects by controlling polarization and entropy regimes based on charge-transfer states in vertical conductor/polymer/conductor thin-film devices.« less

Active and Passive 3D Vector Radiative Transfer with Preferentially-Aligned Ice Particles

NASA Technical Reports Server (NTRS)

Adams, Ian S.; Munchak, Stephen J.; Pelissier, Craig S.; Kuo, Kwo-Sen; Heymsfield, Gerald M.

2017-01-01

For the purposes of interpreting active (radar) and passive (radiometer) microwave and millimeter wave remote sensing data, we have constructed a consistent radiative transfer modeling framework to simulate the responses for arbitrary sensors with differing sensing geometries and hardware configurations. As part of this work, we have implemented a recent method for calculating the electromagnetic properties of individual ice crystals and snow flakes. These calculations will allow us to exploit polarized remote sensing observations to discriminate different particles types and elucidate dynamics of cloud and precipitating systems.

Model of multistep electron transfer in a single-mode polar medium

NASA Astrophysics Data System (ADS)

Feskov, S. V.; Yudanov, V. V.

2017-09-01

A mathematical model of multistep photoinduced electron transfer (PET) in a polar medium with a single relaxation time (Debye solvent) is developed. The model includes the polarization nonequilibrity formed in the vicinity of the donor-acceptor molecular system at the initial steps of photoreaction and its influence on the subsequent steps of PET. It is established that the results from numerical simulation of transient luminescence spectra of photoexcited donor-acceptor complexes (DAC) conform to calculated data obtained on the basis of the familiar experimental technique used to measure the relaxation function of solvent polarization in the vicinity of DAC in the picosecond and subpicosecond ranges.

Investigation of PTFE transfer films by infrared emission spectroscopy and phase-locked ellipsometry

NASA Technical Reports Server (NTRS)

Lauer, James L.; Bunting, Bruce G.; Jones, William R., Jr.

1987-01-01

When a PTFE sheet was rubbed unidirectionally over a smooth surface of stainless steel an essentially monomolecular transfer film was formed. By ellipsometric and emission infrared spectroscopic techniques it was shown that the film was 10 to 15 A thick and birefringent. From the intensity differences of infrared bands obtained with a polarizer passing radiation polarized in mutually perpendicular planes, it was possible to deduce transfer film orientation with the direction of rubbing. After standing in air for several weeks the transfer films apparently increased in thickness by as much as threefold. At the same time both the index of refraction and the absorption index decreased. Examination of the surfaces by optical and electron microscopies showed that the films had become porous and flaky. These observations were consistent with previous tribological measurements. The coefficients of friction decreased with the formation of the transfer film but increased again as the film developed breaks. The applicability of the ellipsometric and polarized infrared emission techniques to the identification of monomolecular tribological transfer films of polymers such as PTFE has been demonstrated.

Spin polarization transfer mechanisms of SABRE: A magnetic field dependent study.

PubMed

Pravdivtsev, Andrey N; Ivanov, Konstantin L; Yurkovskaya, Alexandra V; Petrov, Pavel A; Limbach, Hans-Heinrich; Kaptein, Robert; Vieth, Hans-Martin

2015-12-01

We have investigated the magnetic field dependence of Signal Amplification By Reversible Exchange (SABRE) arising from binding of para-hydrogen (p-H2) and a substrate to a suitable transition metal complex. The magnetic field dependence of the amplification of the (1)H Nuclear Magnetic Resonance (NMR) signals of the released substrates and dihydrogen, and the transient transition metal dihydride species shows characteristic patterns, which is explained using the theory presented here. The generation of SABRE is most efficient at low magnetic fields due to coherent spin mixing at nuclear spin Level Anti-Crossings (LACs) in the SABRE complexes. We studied two Ir-complexes and have shown that the presence of a (31)P atom in the SABRE complex doubles the number of LACs and, consequently, the number of peaks in the SABRE field dependence. Interestingly, the polarization of SABRE substrates is always accompanied by the para-to-ortho conversion in dihydride species that results in enhancement of the NMR signal of free (H2) and catalyst-bound H2 (Ir-HH). The field dependences of hyperpolarized H2 and Ir-HH by means of SABRE are studied here, for the first time, in detail. The field dependences depend on the chemical shifts and coupling constants of Ir-HH, in which the polarization transfer takes place. A negative coupling constant of -7Hz between the two chemically equivalent but magnetically inequivalent hydride nuclei is determined, which indicates that Ir-HH is a dihydride with an HH distance larger than 2Å. Finally, the field dependence of SABRE at high fields as found earlier has been investigated and attributed to polarization transfer to the substrate by cross-relaxation. The present study provides further evidence for the key role of LACs in the formation of SABRE-derived polarization. Understanding the spin dynamics behind the SABRE method opens the way to optimizing its performance and overcoming the main limitation of NMR, its notoriously low sensitivity. Copyright © 2015 Elsevier Inc. All rights reserved.

Spin polarization transfer mechanisms of SABRE: A magnetic field dependent study

NASA Astrophysics Data System (ADS)

Pravdivtsev, Andrey N.; Ivanov, Konstantin L.; Yurkovskaya, Alexandra V.; Petrov, Pavel A.; Limbach, Hans-Heinrich; Kaptein, Robert; Vieth, Hans-Martin

2015-12-01

We have investigated the magnetic field dependence of Signal Amplification By Reversible Exchange (SABRE) arising from binding of para-hydrogen (p-H2) and a substrate to a suitable transition metal complex. The magnetic field dependence of the amplification of the 1H Nuclear Magnetic Resonance (NMR) signals of the released substrates and dihydrogen, and the transient transition metal dihydride species shows characteristic patterns, which is explained using the theory presented here. The generation of SABRE is most efficient at low magnetic fields due to coherent spin mixing at nuclear spin Level Anti-Crossings (LACs) in the SABRE complexes. We studied two Ir-complexes and have shown that the presence of a 31P atom in the SABRE complex doubles the number of LACs and, consequently, the number of peaks in the SABRE field dependence. Interestingly, the polarization of SABRE substrates is always accompanied by the para-to-ortho conversion in dihydride species that results in enhancement of the NMR signal of free (H2) and catalyst-bound H2 (Ir-HH). The field dependences of hyperpolarized H2 and Ir-HH by means of SABRE are studied here, for the first time, in detail. The field dependences depend on the chemical shifts and coupling constants of Ir-HH, in which the polarization transfer takes place. A negative coupling constant of -7 Hz between the two chemically equivalent but magnetically inequivalent hydride nuclei is determined, which indicates that Ir-HH is a dihydride with an HH distance larger than 2 Å. Finally, the field dependence of SABRE at high fields as found earlier has been investigated and attributed to polarization transfer to the substrate by cross-relaxation. The present study provides further evidence for the key role of LACs in the formation of SABRE-derived polarization. Understanding the spin dynamics behind the SABRE method opens the way to optimizing its performance and overcoming the main limitation of NMR, its notoriously low sensitivity.

Enhancement of Light Absorption in Silicon Nanowire Photovoltaic Devices with Dielectric and Metallic Grating Structures.

PubMed

Park, Jin-Sung; Kim, Kyoung-Ho; Hwang, Min-Soo; Zhang, Xing; Lee, Jung Min; Kim, Jungkil; Song, Kyung-Deok; No, You-Shin; Jeong, Kwang-Yong; Cahoon, James F; Kim, Sun-Kyung; Park, Hong-Gyu

2017-12-13

We report the enhancement of light absorption in Si nanowire photovoltaic devices with one-dimensional dielectric or metallic gratings that are fabricated by a damage-free, precisely aligning, polymer-assisted transfer method. Incorporation of a Si 3 N 4 grating with a Si nanowire effectively enhances the photocurrents for transverse-electric polarized light. The wavelength at which a maximum photocurrent is generated is readily tuned by adjusting the grating pitch. Moreover, the electrical properties of the nanowire devices are preserved before and after transferring the Si 3 N 4 gratings onto Si nanowires, ensuring that the quality of pristine nanowires is not degraded during the transfer. Furthermore, we demonstrate Si nanowire photovoltaic devices with Ag gratings using the same transfer method. Measurements on the fabricated devices reveal approximately 27.1% enhancement in light absorption compared to that of the same devices without the Ag gratings without any degradation of electrical properties. We believe that our polymer-assisted transfer method is not limited to the fabrication of grating-incorporated nanowire photovoltaic devices but can also be generically applied for the implementation of complex nanoscale structures toward the development of multifunctional optoelectronic devices.

K-space polarimetry of bullseye plasmon antennas

PubMed Central

Osorio, Clara I.; Mohtashami, Abbas; Koenderink, A. Femius

2015-01-01

Surface plasmon resonators can drastically redistribute incident light over different output wave vectors and polarizations. This can lead for instance to sub-diffraction sized nanoapertures in metal films that beam and to nanoparticle antennas that enable efficient conversion of photons between spatial modes, or helicity channels. We present a polarimetric Fourier microscope as a new experimental tool to completely characterize the angle-dependent polarization-resolved scattering of single nanostructures. Polarimetry allows determining the full Stokes parameters from just six Fourier images. The degree of polarization and the polarization ellipse are measured for each scattering direction collected by a high NA objective. We showcase the method on plasmonic bullseye antennas in a metal film, which are known to beam light efficiently. We find rich results for the polarization state of the beamed light, including complete conversion of input polarization from linear to circular and from one helicity to another. In addition to uncovering new physics for plasmonic groove antennas, the described technique projects to have a large impact in nanophotonics, in particular towards the investigation of a broad range of phenomena ranging from photon spin Hall effects, polarization to orbital angular momentum transfer and design of plasmon antennas. PMID:25927570

K-space polarimetry of bullseye plasmon antennas.

PubMed

Osorio, Clara I; Mohtashami, Abbas; Koenderink, A Femius

2015-04-30

Surface plasmon resonators can drastically redistribute incident light over different output wave vectors and polarizations. This can lead for instance to sub-diffraction sized nanoapertures in metal films that beam and to nanoparticle antennas that enable efficient conversion of photons between spatial modes, or helicity channels. We present a polarimetric Fourier microscope as a new experimental tool to completely characterize the angle-dependent polarization-resolved scattering of single nanostructures. Polarimetry allows determining the full Stokes parameters from just six Fourier images. The degree of polarization and the polarization ellipse are measured for each scattering direction collected by a high NA objective. We showcase the method on plasmonic bullseye antennas in a metal film, which are known to beam light efficiently. We find rich results for the polarization state of the beamed light, including complete conversion of input polarization from linear to circular and from one helicity to another. In addition to uncovering new physics for plasmonic groove antennas, the described technique projects to have a large impact in nanophotonics, in particular towards the investigation of a broad range of phenomena ranging from photon spin Hall effects, polarization to orbital angular momentum transfer and design of plasmon antennas.

Full-wave and ray-based modeling of cross-beam energy transfer between laser beams with distributed phase plates and polarization smoothing

DOE PAGES

Follett, R. K.; Edgell, D. H.; Froula, D. H.; ...

2017-10-20

Radiation-hydrodynamic simulations of inertial confinement fusion (ICF) experiments rely on ray-based cross-beam energy transfer (CBET) models to calculate laser energy deposition. The ray-based models assume locally plane-wave laser beams and polarization averaged incoherence between laser speckles for beams with polarization smoothing. The impact of beam speckle and polarization smoothing on crossbeam energy transfer (CBET) are studied using the 3-D wave-based laser-plasma-interaction code LPSE. The results indicate that ray-based models under predict CBET when the assumption of spatially averaged longitudinal incoherence across the CBET interaction region is violated. A model for CBET between linearly-polarized speckled beams is presented that uses raymore » tracing to solve for the real speckle pattern of the unperturbed laser beams within the eikonal approximation and gives excellent agreement with the wavebased calculations. Lastly, OMEGA-scale 2-D LPSE calculations using ICF relevant plasma conditions suggest that the impact of beam speckle on laser absorption calculations in ICF implosions is small (< 1%).« less

Full-wave and ray-based modeling of cross-beam energy transfer between laser beams with distributed phase plates and polarization smoothing

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

Follett, R. K.; Edgell, D. H.; Froula, D. H.

Radiation-hydrodynamic simulations of inertial confinement fusion (ICF) experiments rely on ray-based cross-beam energy transfer (CBET) models to calculate laser energy deposition. The ray-based models assume locally plane-wave laser beams and polarization averaged incoherence between laser speckles for beams with polarization smoothing. The impact of beam speckle and polarization smoothing on crossbeam energy transfer (CBET) are studied using the 3-D wave-based laser-plasma-interaction code LPSE. The results indicate that ray-based models under predict CBET when the assumption of spatially averaged longitudinal incoherence across the CBET interaction region is violated. A model for CBET between linearly-polarized speckled beams is presented that uses raymore » tracing to solve for the real speckle pattern of the unperturbed laser beams within the eikonal approximation and gives excellent agreement with the wavebased calculations. Lastly, OMEGA-scale 2-D LPSE calculations using ICF relevant plasma conditions suggest that the impact of beam speckle on laser absorption calculations in ICF implosions is small (< 1%).« less

Polarized Line Formation in Arbitrary Strength Magnetic Fields Angle-averaged and Angle-dependent Partial Frequency Redistribution

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

Sampoorna, M.; Nagendra, K. N.; Stenflo, J. O., E-mail: sampoorna@iiap.res.in, E-mail: knn@iiap.res.in, E-mail: stenflo@astro.phys.ethz.ch

Magnetic fields in the solar atmosphere leave their fingerprints in the polarized spectrum of the Sun via the Hanle and Zeeman effects. While the Hanle and Zeeman effects dominate, respectively, in the weak and strong field regimes, both these effects jointly operate in the intermediate field strength regime. Therefore, it is necessary to solve the polarized line transfer equation, including the combined influence of Hanle and Zeeman effects. Furthermore, it is required to take into account the effects of partial frequency redistribution (PRD) in scattering when dealing with strong chromospheric lines with broad damping wings. In this paper, we presentmore » a numerical method to solve the problem of polarized PRD line formation in magnetic fields of arbitrary strength and orientation. This numerical method is based on the concept of operator perturbation. For our studies, we consider a two-level atom model without hyperfine structure and lower-level polarization. We compare the PRD idealization of angle-averaged Hanle–Zeeman redistribution matrices with the full treatment of angle-dependent PRD, to indicate when the idealized treatment is inadequate and what kind of polarization effects are specific to angle-dependent PRD. Because the angle-dependent treatment is presently computationally prohibitive when applied to realistic model atmospheres, we present the computed emergent Stokes profiles for a range of magnetic fields, with the assumption of an isothermal one-dimensional medium.« less

Detecting Super-Thin Clouds With Polarized Light

NASA Technical Reports Server (NTRS)

Sun, Wenbo; Videen, Gorden; Mishchenko, Michael I.

2014-01-01

We report a novel method for detecting cloud particles in the atmosphere. Solar radiation backscattered from clouds is studied with both satellite data and a radiative transfer model. A distinct feature is found in the angle of linear polarization of solar radiation that is backscattered from clouds. The dominant backscattered electric field from the clear-sky Earth-atmosphere system is nearly parallel to the Earth surface. However, when clouds are present, this electric field can rotate significantly away from the parallel direction. Model results demonstrate that this polarization feature can be used to detect super-thin cirrus clouds having an optical depth of only 0.06 and super-thin liquid water clouds having an optical depth of only 0.01. Such clouds are too thin to be sensed using any current passive satellite instruments.

Elastic scattering of low-energy electrons by nitromethane

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

Lopes, A. R.; D'A Sanchez, S.; Bettega, M. H. F.

2011-06-15

In this work, we present integral, differential, and momentum transfer cross sections for elastic scattering of low-energy electrons by nitromethane, for energies up to 10 eV. We calculated the cross sections using the Schwinger multichannel method with pseudopotentials, in the static-exchange and in the static-exchange plus polarization approximations. The computed integral cross sections show a {pi}* shape resonance at 0.70 eV in the static-exchange-polarization approximation, which is in reasonable agreement with experimental data. We also found a {sigma}* shape resonance at 4.8 eV in the static-exchange-polarization approximation, which has not been previously characterized by the experiment. We also discuss howmore » these resonances may play a role in the dissociation process of this molecule.« less

Detecting Super-Thin Clouds with Polarized Sunlight

NASA Technical Reports Server (NTRS)

Sun, Wenbo; Videen, Gorden; Mishchenko, Michael I.

2014-01-01

We report a novel method for detecting cloud particles in the atmosphere. Solar radiation backscattered from clouds is studied with both satellite data and a radiative transfer model. A distinct feature is found in the angle of linear polarization of solar radiation that is backscattered from clouds. The dominant backscattered electric field from the clear-sky Earth-atmosphere system is nearly parallel to the Earth surface. However, when clouds are present, this electric field can rotate significantly away from the parallel direction. Model results demonstrate that this polarization feature can be used to detect super-thin cirrus clouds having an optical depth of only 0.06 and super-thin liquid water clouds having an optical depth of only 0.01. Such clouds are too thin to be sensed using any current passive satellite instruments.

Polarization transfer observables in elastic electron-proton scattering at Q 2 = 2.5 , 5.2, 6.8, and 8.5   GeV 2

DOE PAGES

Puckett, Andrew J. R.; Brash, E. J.; Jones, M. K.; ...

2017-11-06

In this paper, interest in the behavior of nucleon electromagnetic form factors at large momentum transfers has steadily increased since the discovery, using polarization observables, of the rapid decrease of the ratio G p E/G p M of the proton's electric and magnetic form factors for momentum transfers Q 2 ≳ 1 GeV 2, in strong disagreement with previous extractions of this ratio using the traditional Rosenbluth separation technique.

Polarization transfer observables in elastic electron-proton scattering at Q 2 = 2.5 , 5.2, 6.8, and 8.5   GeV 2

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

Puckett, Andrew J. R.; Brash, E. J.; Jones, M. K.

In this paper, interest in the behavior of nucleon electromagnetic form factors at large momentum transfers has steadily increased since the discovery, using polarization observables, of the rapid decrease of the ratio G p E/G p M of the proton's electric and magnetic form factors for momentum transfers Q 2 ≳ 1 GeV 2, in strong disagreement with previous extractions of this ratio using the traditional Rosenbluth separation technique.

Basic theory for polarized, astrophysical maser radiation in a magnetic field

NASA Technical Reports Server (NTRS)

Watson, William D.

1994-01-01

Fundamental alterations in the theory and resulting behavior of polarized, astrophysical maser radiation in the presence of a magnetic field have been asserted based on a calculation of instabilities in the radiative transfer. I reconsider the radiative transfer and find that the relevant instabilities do not occur. Calculational errors in the previous investigation are identified. In addition, such instabilities would have appeared -- but did not -- in the numerous numerical solutions to the same radiative transfer equations that have been presented in the literature. As a result, all modifications that have been presented in a recent series of papers (Elitzur 1991, 1993) to the theory for polarized maser radiation in the presence of a magnetic field are invalid. The basic theory is thus clarified.

7Li(d,p)8Li transfer reaction in the NCSM/RGM approach

NASA Astrophysics Data System (ADS)

Raimondi, F.; Hupin, G.; Navrátil, P.; Quaglioni, S.

2018-03-01

Recently, we applied an ab initio method, the no-core shell model combined with the resonating group method, to the transfer reactions with light p-shell nuclei as targets and deuteron as the projectile. In particular, we studied the elastic scattering of deuterium on 7Li and the 7Li(d,p)8Li transfer reaction starting from a realistic two-nucleon interaction. In this contribution, we review of our main results on the 7Li(d,p)8Li transfer reaction, and we extend the study of the relevant reaction channels, by showing the dominant resonant phase shifts of the scattering matrix. We assess also the impact of the polarization effects of the deuteron below the breakup on the positive-parity resonant states in the reaction. For this purpose, we perform an analysis of the convergence trend of the phase and eigenphase shifts, with respect to the number of deuteron pseudostates included in the model space.

Probing the rate-limiting step for intramolecular transfer of a transcription factor between specific sites on the same DNA molecule by (15)Nz-exchange NMR spectroscopy.

PubMed

Ryu, Kyoung-Seok; Tugarinov, Vitali; Clore, G Marius

2014-10-15

The kinetics of translocation of the homeodomain transcription factor HoxD9 between specific sites of the same or opposite polarities on the same DNA molecule have been studied by (15)Nz-exchange NMR spectroscopy. We show that exchange occurs by two facilitated diffusion mechanisms: a second-order intermolecular exchange reaction between specific sites located on different DNA molecules without the protein dissociating into free solution that predominates at high concentrations of free DNA, and a first-order intramolecular process involving direct transfer between specific sites located on the same DNA molecule. Control experiments using a mixture of two DNA molecules, each possessing only a single specific site, indicate that transfer between specific sites by full dissociation of HoxD9 into solution followed by reassociation is too slow to measure by z-exchange spectroscopy. Intramolecular transfer with comparable rate constants occurs between sites of the same and opposing polarity, indicating that both rotation-coupled sliding and hopping/flipping (analogous to geminate recombination) occur. The half-life for intramolecular transfer (0.5-1 s) is many orders of magnitude larger than the calculated transfer time (1-100 μs) by sliding, leading us to conclude that the intramolecular transfer rates measured by z-exchange spectroscopy represent the rate-limiting step for a one-base-pair shift from the specific site to the immediately adjacent nonspecific site. At zero concentration of added salt, the intramolecular transfer rate constants between sites of opposing polarity are smaller than those between sites of the same polarity, suggesting that hopping/flipping may become rate-limiting at very low salt concentrations.

Case studies of aerosol and ocean color retrieval using a Markov chain radiative transfer model and AirMSPI measurements

NASA Astrophysics Data System (ADS)

Xu, F.; Diner, D. J.; Seidel, F. C.; Dubovik, O.; Zhai, P.

2014-12-01

A vector Markov chain radiative transfer method was developed for forward modeling of radiance and polarization fields in a coupled atmosphere-ocean system. The method was benchmarked against an independent Successive Orders of Scattering code and linearized through the use of Jacobians. Incorporated with the multi-patch optimization algorithm and look-up-table method, simultaneous aerosol and ocean color retrievals were performed using imagery acquired by the Airborne Multiangle SpectroPolarimetric Imager (AirMSPI) when it was operated in step-and-stare mode with 9 viewing angles ranging between ±67°. Data from channels near 355, 380, 445, 470*, 555, 660*, and 865* nm were used in the retrievals, where the asterisk denotes the polarimetric bands. Retrievals were run for AirMSPI overflights over Southern California and Monterey Bay, CA. For the relatively high aerosol optical depth (AOD) case (~0.28 at 550 nm), the retrieved aerosol concentration, size distribution, water-leaving radiance, and chlorophyll concentration were compared to those reported by the USC SeaPRISM AERONET-OC site off the coast of Southern California on 6 February 2013. For the relatively low AOD case (~0.08 at 550 nm), the retrieved aerosol concentration and size distribution were compared to those reported by the Monterey Bay AERONET site on 28 April 2014. Further, we evaluate the benefits of multi-angle and polarimetric observations by performing the retrievals using (a) all view angles and channels; (b) all view angles but radiances only (no polarization); (c) the nadir view angle only with both radiance and polarization; and (d) the nadir view angle without polarization. Optimized retrievals using different initial guesses were performed to provide a measure of retrieval uncertainty. Removal of multi-angular or polarimetric information resulted in increases in both parameter uncertainty and systematic bias. Potential accuracy improvements afforded by applying constraints on the surface and aerosol parametric models will also be discussed.

Spin Polarization Transfer from a Photogenerated Radical Ion Pair to a Stable Radical Controlled by Charge Recombination.

PubMed

Horwitz, Noah E; Phelan, Brian T; Nelson, Jordan N; Mauck, Catherine M; Krzyaniak, Matthew D; Wasielewski, Michael R

2017-06-15

Photoexcitation of electron donor-acceptor molecules frequently produces radical ion pairs with well-defined initial spin-polarized states that have attracted significant interest for spintronics. Transfer of this initial spin polarization to a stable radical is predicted to depend on the rates of the radical ion pair recombination reactions, but this prediction has not been tested experimentally. In this study, a stable radical/electron donor/chromophore/electron acceptor molecule, BDPA • -mPD-ANI-NDI, where BDPA • is α,γ-bisdiphenylene-β-phenylallyl, mPD is m-phenylenediamine, ANI is 4-aminonaphthalene-1,8-dicarboximide, and NDI is naphthalene-1,4:5,8-bis(dicarboximide), was synthesized. Photoexcitation of ANI produces the triradical BDPA • -mPD +• -ANI-NDI -• in which the mPD +• -ANI-NDI -• radical ion pair is spin coupled to the BDPA • stable radical. BDPA • -mPD +• -ANI-NDI -• and its counterpart lacking the stable radical are found to exhibit spin-selective charge recombination in which the triplet radical ion pair 3 (mPD +• -ANI-NDI -• ) is in equilibrium with the 3 *NDI charge recombination product. Time-resolved EPR measurements show that this process is associated with an inversion of the sign of the polarization transferred to BDPA • over time. The polarization transfer rates are found to be strongly solvent dependent, as shifts in this equilibrium affect the spin dynamics. These results demonstrate that even small changes in electron transfer dynamics can have a large effect on the spin dynamics of photogenerated multispin systems.

Multiple acquisitions via sequential transfer of orphan spin polarization (MAeSTOSO): How far can we push residual spin polarization in solid-state NMR?

NASA Astrophysics Data System (ADS)

Gopinath, T.; Veglia, Gianluigi

2016-06-01

Conventional multidimensional magic angle spinning (MAS) solid-state NMR (ssNMR) experiments detect the signal arising from the decay of a single coherence transfer pathway (FID), resulting in one spectrum per acquisition time. Recently, we introduced two new strategies, namely DUMAS (DUal acquisition Magic Angle Spinning) and MEIOSIS (Multiple ExperIments via Orphan SpIn operatorS), that enable the simultaneous acquisitions of multidimensional ssNMR experiments using multiple coherence transfer pathways. Here, we combined the main elements of DUMAS and MEIOSIS to harness both orphan spin operators and residual polarization and increase the number of simultaneous acquisitions. We show that it is possible to acquire up to eight two-dimensional experiments using four acquisition periods per each scan. This new suite of pulse sequences, called MAeSTOSO for Multiple Acquisitions via Sequential Transfer of Orphan Spin pOlarization, relies on residual polarization of both 13C and 15N pathways and combines low- and high-sensitivity experiments into a single pulse sequence using one receiver and commercial ssNMR probes. The acquisition of multiple experiments does not affect the sensitivity of the main experiment; rather it recovers the lost coherences that are discarded, resulting in a significant gain in experimental time. Both merits and limitations of this approach are discussed.

High Frequency Dynamic Nuclear Polarization

PubMed Central

Ni, Qing Zhe; Daviso, Eugenio; Can, Thach V.; Markhasin, Evgeny; Jawla, Sudheer K.; Swager, Timothy M.; Temkin, Richard J.; Herzfeld, Judith; Griffin, Robert G.

2013-01-01

Conspectus During the three decades 1980–2010, magic angle spinning (MAS) NMR developed into the method of choice to examine many chemical, physical and biological problems. In particular, a variety of dipolar recoupling methods to measure distances and torsion angles can now constrain molecular structures to high resolution. However, applications are often limited by the low sensitivity of the experiments, due in large part to the necessity of observing spectra of low-γ nuclei such as the I = ½ species 13C or 15N. The difficulty is still greater when quadrupolar nuclei, like 17O or 27Al, are involved. This problem has stimulated efforts to increase the sensitivity of MAS experiments. A particularly powerful approach is dynamic nuclear polarization (DNP) which takes advantage of the higher equilibrium polarization of electrons (which conventionally manifests in the great sensitivity advantage of EPR over NMR). In DNP, the sample is doped with a stable paramagnetic polarizing agent and irradiated with microwaves to transfer the high polarization in the electron spin reservoir to the nuclei of interest. The idea was first explored by Overhauser and Slichter in 1953. However, these experiments were carried out on static samples, at magnetic fields that are low by current standards. To be implemented in contemporary MAS NMR experiments, DNP requires microwave sources operating in the subterahertz regime — roughly 150–660 GHz — and cryogenic MAS probes. In addition, improvements were required in the polarizing agents, because the high concentrations of conventional radicals that are required to produce significant enhancements compromise spectral resolution. In the last two decades scientific and technical advances have addressed these problems and brought DNP to the point where it is achieving wide applicability. These advances include the development of high frequency gyrotron microwave sources operating in the subterahertz frequency range. In addition, low temperature MAS probes were developed that permit in-situ microwave irradiation of the samples. And, finally, biradical polarizing agents were developed that increased the efficiency of DNP experiments by factors of ~4 at considerably lower paramagnet concentrations. Collectively these developments have made it possible to apply DNP on a routine basis to a number of different scientific endeavors, most prominently in the biological and material sciences. This Account reviews these developments, including the primary mechanisms used to transfer polarization in high frequency DNP, and the current choice of microwave sources and biradical polarizing agents. In addition, we illustrate the utility of the technique with a description of applications to membrane and amyloid proteins that emphasizes the unique structural information that is available in these two cases. PMID:23597038

Switchable polarity solvent for liquid phase microextraction of Cd(II) as pyrrolidinedithiocarbamate chelates from environmental samples.

PubMed

Yilmaz, Erkan; Soylak, Mustafa

2015-07-30

A switchable polarity solvent was synthesized from triethylamine (TEA)/water/CO2 (Dry ice) via proton transfer reaction has been used for the microextraction of cadmium(II) as pyrrolidinedithiocarbamate (APDC) chelate. Cd(II)-APDC chelate was extracted into the switchable polarity solvent drops by adding 2 mL 10 M sodium hydroxide solution. Analytical parameters affecting the complex formation and microextraction efficiency such as pH, amount of ligand, volume of switchable polarity solvent and NaOH, sample volume were optimized. The effects of foreign ions were found tolerably. Under optimum conditions, the detection limit was 0.16 μg L(-1) (3Sb/m, n = 7) and the relative standard deviation was 5.4% (n = 7). The method was validated by the analysis of certified reference materials (TMDA-51.3 fortified water, TMDA-53.3 fortified water and SPS-WW2 waste water, 1573a Tomato Leaves and Oriental Basma Tobacco Leaves (INCT-OBTL-5)) and addition/recovery tests. The method was successfully applied to determination of cadmium contents of water, vegetable, fruit and cigarette samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Polarimetric infrared imaging simulation of a synthetic sea surface with Mie scattering.

PubMed

He, Si; Wang, Xia; Xia, Runqiu; Jin, Weiqi; Liang, Jian'an

2018-03-01

A novel method to simulate the polarimetric infrared imaging of a synthetic sea surface with atmospheric Mie scattering effects is presented. The infrared emission, multiple reflections, and infrared polarization of the sea surface and the Mie scattering of aerosols are all included for the first time. At first, a new approach to retrieving the radiative characteristics of a wind-roughened sea surface is introduced. A two-scale method of sea surface realization and the inverse ray tracing of light transfer calculation are combined and executed simultaneously, decreasing the consumption of time and memory dramatically. Then the scattering process that the infrared light emits from the sea surface and propagates in the aerosol particles is simulated with a polarized light Monte Carlo model. Transformations of the polarization state of the light are calculated with the Mie theory. Finally, the polarimetric infrared images of the sea surface of different environmental conditions and detection parameters are generated based on the scattered light detected by the infrared imaging polarimeter. The results of simulation examples show that our polarimetric infrared imaging simulation can be applied to predict the infrared polarization characteristics of the sea surface, model the oceanic scene, and guide the detection in the oceanic environment.

Dynamic Nuclear Polarization and other magnetic ideas at EPFL.

PubMed

Bornet, Aurélien; Milani, Jonas; Wang, Shutao; Mammoli, Daniele; Buratto, Roberto; Salvi, Nicola; Segaw, Takuya F; Vitzthum, Veronika; Miéville, Pascal; Chinthalapalli, Srinivas; Perez-Linde, Angel J; Carnevale, Diego; Jannin, Sami; Caporinia, Marc; Ulzega, Simone; Rey, Martial; Bodenhausen, Geoffrey

2012-01-01

Although nuclear magnetic resonance (NMR) can provide a wealth of information, it often suffers from a lack of sensitivity. Dynamic Nuclear Polarization (DNP) provides a way to increase the polarization and hence the signal intensities in NMR spectra by transferring the favourable electron spin polarization of paramagnetic centres to the surrounding nuclear spins through appropriate microwave irradiation. In our group at EPFL, two complementary DNP techniques are under investigation: the combination of DNP with magic angle spinning at temperatures near 100 K ('MAS-DNP'), and the combination of DNP at 1.2 K with rapid heating followed by the transfer of the sample to a high-resolution magnet ('dissolution DNP'). Recent applications of MAS-DNP to surfaces, as well as new developments of magnetization transfer of (1)H to (13)C at 1.2 K prior to dissolution will illustrate the work performed in our group. A second part of the paper will give an overview of some 'non-enhanced' activities of our laboratory in liquid- and solid-state NMR.

Photoinduced electron transfer in covalent ruthenium-anthraquinone dyads: relative importance of driving-force, solvent polarity, and donor-bridge energy gap.

PubMed

Hankache, Jihane; Wenger, Oliver S

2012-02-28

Four rigid rod-like molecules comprised of a Ru(bpy)(3)(2+) (bpy = 2,2'-bipyridine) photosensitizer, a 9,10-anthraquinone electron acceptor, and a molecular bridge connecting the two redox partners were synthesized and investigated by optical spectroscopic and electrochemical means. An attempt was made to assess the relative importance of driving-force, solvent polarity, and bridge variation on the rates of photoinduced electron transfer in these molecules. Expectedly, introduction of tert-butyl substituents in the bipyridine ligands of the ruthenium complex and a change in solvent from dichloromethane to acetonitrile lead to a significant acceleration of charge transfer rates. In dichloromethane, photoinduced electron transfer is not competitive with the inherent excited-state deactivation processes of the photosensitizer. In acetonitrile, an increase in driving-force by 0.2 eV through attachment of tert-butyl substituents to the bpy ancillary ligands causes an increase in electron transfer rates by an order of magnitude. Replacement of a p-xylene bridge by a p-dimethoxybenzene spacer entails an acceleration of charge transfer rates by a factor of 3.5. In the dyads from this study, the relative order of importance of individual influences on electron transfer rates is therefore as follows: solvent polarity ≥ driving-force > donor-bridge energy gap.

Robust bidirectional links for photonic quantum networks

PubMed Central

Xu, Jin-Shi; Yung, Man-Hong; Xu, Xiao-Ye; Tang, Jian-Shun; Li, Chuan-Feng; Guo, Guang-Can

2016-01-01

Optical fibers are widely used as one of the main tools for transmitting not only classical but also quantum information. We propose and report an experimental realization of a promising method for creating robust bidirectional quantum communication links through paired optical polarization-maintaining fibers. Many limitations of existing protocols can be avoided with the proposed method. In particular, the path and polarization degrees of freedom are combined to deterministically create a photonic decoherence-free subspace without the need for any ancillary photon. This method is input state–independent, robust against dephasing noise, postselection-free, and applicable bidirectionally. To rigorously quantify the amount of quantum information transferred, the optical fibers are analyzed with the tools developed in quantum communication theory. These results not only suggest a practical means for protecting quantum information sent through optical quantum networks but also potentially provide a new physical platform for enriching the structure of the quantum communication theory. PMID:26824069

Bulk Nuclear Hyperpolarization of Inorganic Solids by Relay from the Surface.

PubMed

Björgvinsdóttir, Snædís; Walder, Brennan J; Pinon, Arthur C; Emsley, Lyndon

2018-06-14

NMR is a method of choice to determine structural and electronic features in inorganic materials, and has been widely used in the past, but its application is severely limited by its low relative sensitivity. We show how the bulk of proton-free inorganic solids can be hyperpolarized with a general strategy using impregnation dynamic nuclear polarization through homonuclear spin diffusion between low-γ nuclei. This is achieved either through direct hyperpolarization or with a pulse cooling cross-polarization method, transferring hyperpolarization from protons to heteronuclei at particle surfaces. We demonstrate a factor of 50 gain in overall sensitivity for the 119 Sn spectrum of powdered SnO 2 , corresponding to an acceleration of a factor >2500 in acquisition times. The method is also shown for 31 P spectra of GaP, 113 Cd spectra of CdTe, and 29 Si spectra of α-quartz.

Direct Observation of Charge Transfer at a MgO(111) Surface

NASA Astrophysics Data System (ADS)

Subramanian, A.; Marks, L. D.; Warschkow, O.; Ellis, D. E.

2004-01-01

Transmission electron diffraction (TED) combined with direct methods have been used to study the √(3)×√(3)R30° reconstruction on the polar (111) surface of MgO and refine the valence charge distribution. The surface is nonstoichiometric and is terminated by a single magnesium atom. A charge-compensating electron hole is localized in the next oxygen layer and there is a nominal charge transfer from the oxygen atoms to the top magnesium atom. The partial charges that we obtain for the surface atoms are in reasonable agreement with empirical bond-valence estimations.

Dry contact transfer printing of aligned carbon nanotube patterns and characterization of their optical properties for diameter distribution and alignment.

PubMed

Pint, Cary L; Xu, Ya-Qiong; Moghazy, Sharief; Cherukuri, Tonya; Alvarez, Noe T; Haroz, Erik H; Mahzooni, Salma; Doorn, Stephen K; Kono, Junichiro; Pasquali, Matteo; Hauge, Robert H

2010-02-23

A scalable and facile approach is demonstrated where as-grown patterns of well-aligned structures composed of single-walled carbon nanotubes (SWNT) synthesized via water-assisted chemical vapor deposition (CVD) can be transferred, or printed, to any host surface in a single dry, room-temperature step using the growth substrate as a stamp. We demonstrate compatibility of this process with multiple transfers for large-scale device and specifically tailored pattern fabrication. Utilizing this transfer approach, anisotropic optical properties of the SWNT films are probed via polarized absorption, Raman, and photoluminescence spectroscopies. Using a simple model to describe optical transitions in the large SWNT species present in the aligned samples, polarized absorption data are demonstrated as an effective tool for accurate assignment of the diameter distribution from broad absorption features located in the infrared. This can be performed on either well-aligned samples or unaligned doped samples, allowing simple and rapid feedback of the SWNT diameter distribution that can be challenging and time-consuming to obtain in other optical methods. Furthermore, we discuss challenges in accurately characterizing alignment in structures of long versus short carbon nanotubes through optical techniques, where SWNT length makes a difference in the information obtained in such measurements. This work provides new insight to the efficient transfer and optical properties of an emerging class of long, large diameter SWNT species typically produced in the CVD process.

Simulations of polarization from accretion disks

NASA Astrophysics Data System (ADS)

Schultz, J.

2000-12-01

The Monte Carlo Method was used to estimate the level of polarization from axisymmetric accretion disks similar to those in low-mass X-ray binaries and some classes of cataclysmic variables. In low-mass X-ray binaries electron scattering is supposed to be the dominant opacity source in the inner disk, and most of the optical light is produced in the disk. Thompson scattering occuring in the disk corona produces linear polarization. Detailed theoretical models of accretion disks are numerous, but simple mathematical disk models were used, as the accuracy of polarization measurements does not allow distinction of the fine details of disk models. Stokes parameters were used for the radiative transfer. The simulations indicate that the vertical distribution of emissivity has the greatest effect on polarization, and variations of radial emissivity distribution have no detectable effect on polarization. Irregularities in the disk may reduce the degree of polarization. The polarization levels produced by simulations are detectable with modern instruments. Polarization measurements could be used to get rough constraints on the vertical emissivity distribution of an accretion disk, provided that a reasonably accurate disk model can be constructed from photometric or spectrosopic observations in optical and/or X-ray wavelengths. Mainly based on observations taken at the Observatoire de Haute-Provence, France, and on some observations obtained at the European Southern Observatory, Chile (ESO Prog. IDs: 57.C-0492, 59.C-0293, 61.C-0512).

Water vapor content in the polar atmosphere measured by Lyman-alpha/OH fluorescence method

NASA Technical Reports Server (NTRS)

Iwasaka, Y.; Saitoh, S.; Ono, A.

1985-01-01

The water vapor of the polar stratosphere possibly plays an important role in various aeronomical processes; for example, OH radical formation through photodissociation of H2O, formation of water cluster ions, radiative energy transfer in the lower stratosphere, condensation onto particulate matter, and so on. In addition to these, it has been speculated, from the viewpoint of global transport and/or budget of water vapor, that the polar stratosphere functions as an active sink. STANFORD (1973) emphasized the existence of the stratospheric Cist cloud in the polar stratosphere which brought a large loss rate of stratospheric water vapor through a so-called freeze-out of cloud particles from the stratosphere into the troposphere. However, these geophysically interesting problems unfortunately remain to be solved, owing to the lack of measurements on water vapor distribution and its temporal variation in the polar stratosphere. The water vapor content measured at Syowa Station (69.00 deg S, 39.35 deg E), Antarctica using a balloon-borne hygrometer (Lyman - alpha/OH fluorescence type) is discussed.

Contribution functions for Zeeman-split lines, and line formation in photospheric faculae

NASA Technical Reports Server (NTRS)

Vanballegooijen, A. A.

1985-01-01

The transfer of polarized light in an inhomogeneous stellar atmosphere, and the formation of magnetically sensitive spectral lines, are discussed. A new method for the solution of the transfer equations is proposed. The method gives a natural definition of the contribution functions for Stokes' parameters, i.e., functions describing the contributions from different parts along the line-of-sight (LOS). The formalism includes all magneto-optical effects, and allows for an arbitrary variation of magnetic field, velocity field, temperature, density, etc., along the LOS. The formation of FeI lambda 5250.2 in photospheric faculae is described. A potential-field model of a facular element is presented, and spectra profiles and contribution functions are computed for the Stokes parameters I, Q, and V.

Theoretical study of dynamic electron-spin-polarization via the doublet-quartet quantum-mixed state and time-resolved ESR spectra of the quartet high-spin state.

PubMed

Teki, Yoshio; Matsumoto, Takafumi

2011-04-07

The mechanism of the unique dynamic electron polarization of the quartet (S = 3/2) high-spin state via a doublet-quartet quantum-mixed state and detail theoretical calculations of the population transfer are reported. By the photo-induced electron transfer, the quantum-mixed charge-separate state is generated in acceptor-donor-radical triad (A-D-R). This mechanism explains well the unique dynamic electron polarization of the quartet state of A-D-R. The generation of the selectively populated quantum-mixed state and its transfer to the strongly coupled pure quartet and doublet states have been treated both by a perturbation approach and by exact numerical calculations. The analytical solutions show that generation of the quantum-mixed states with the selective populations after de-coherence and/or accompanying the (complete) dephasing during the charge-recombination are essential for the unique dynamic electron polarization. Thus, the elimination of the quantum coherence (loss of the quantum information) is the key process for the population transfer from the quantum-mixed state to the quartet state. The generation of high-field polarization on the strongly coupled quartet state by the charge-recombination process can be explained by a polarization transfer from the quantum-mixed charge-separate state. Typical time-resolved ESR patterns of the quantum-mixed state and of the strongly coupled quartet state are simulated based on the generation mechanism of the dynamic electron polarization. The dependence of the spectral pattern of the quartet high-spin state has been clarified for the fine-structure tensor and the exchange interaction of the quantum-mixed state. The spectral pattern of the quartet state is not sensitive towards the fine-structure tensor of the quantum-mixed state, because this tensor contributes only as a perturbation in the population transfer to the spin-sublevels of the quartet state. Based on the stochastic Liouville equation, it is also discussed why the selective population in the quantum-mixed state is generated for the "finite field" spin-sublevels. The numerical calculations of the elimination of the quantum coherence (de-coherence and/or dephasing) are demonstrated. A new possibility of the enhanced intersystem crossing pathway in solution is also proposed.

A Formalism for Covariant Polarized Radiative Transport by Ray Tracing

NASA Astrophysics Data System (ADS)

Gammie, Charles F.; Leung, Po Kin

2012-06-01

We write down a covariant formalism for polarized radiative transfer appropriate for ray tracing through a turbulent plasma. The polarized radiation field is represented by the polarization tensor (coherency matrix) N αβ ≡ langa α k a*β k rang, where ak is a Fourier coefficient for the vector potential. Using Maxwell's equations, the Liouville-Vlasov equation, and the WKB approximation, we show that the transport equation in vacuo is k μ∇μ N αβ = 0. We show that this is equivalent to Broderick & Blandford's formalism based on invariant Stokes parameters and a rotation coefficient, and suggest a modification that may reduce truncation error in some situations. Finally, we write down several alternative approaches to integrating the transfer equation.

Spectrophotometric and spectroscopic studies of charge transfer complexes of p-toluidine as an electron donor with picric acid as an electron acceptor in different solvents.

PubMed

Singh, Neeti; Khan, Ishaat M; Ahmad, Afaq

2010-04-01

The charge transfer complexes of the donor p-toluidine with pi-acceptor picric acid have been studied spectrophotometrically in various solvents such as carbon tetrachloride, chloroform, dichloromethane acetone, ethanol, and methanol at room temperature using absorption spectrophotometer. The results indicate that formation of CTC in non-polar solvent is high. The stoichiometry of the complex was found to be 1:1 ratio by straight-line method between donor and acceptor with maximum absorption bands. The data are discussed in terms of formation constant (K(CT)), molar extinction coefficient (epsilon(CT)), standard free energy (DeltaG(o)), oscillator strength (f), transition dipole moment (mu(EN)), resonance energy (R(N)) and ionization potential (I(D)). The results indicate that the formation constant (K(CT)) for the complex was shown to be dependent upon the nature of electron acceptor, donor and polarity of solvents that were used. Copyright 2010 Elsevier B.V. All rights reserved.

Theory of atomistic simulation of spin-transfer torque in nanomagnets

NASA Astrophysics Data System (ADS)

Tay, Tiamhock; Sham, L. J.

2013-05-01

In spin-transfer torque (STT) for technological applications, the miniaturization of the magnet may reach the stage of requiring a fully quantum-mechanical treatment. We present an STT theory which uses the quantum macrospin ground and excited (magnon) states of the nanomagnet. This allows for energy and angular momentum exchanges between the current electron and the nano-magnet. We develop a method of magnetization dynamics simulation which captures the heating effect on the magnet by the spin-polarized current and the temperature dependence in STT. We also discuss the magnetostatics effect on magnon scattering for ferromagnetic relaxation in a thin film. Our work demonstrates a realistic step towards simulation of quantum spin-transfer torque physics in nanoscale magnets.

Coherent population transfer in multilevel systems with magnetic sublevels. II. Algebraic analysis

NASA Astrophysics Data System (ADS)

Martin, J.; Shore, B. W.; Bergmann, K.

1995-07-01

We extend previous theoretical work on coherent population transfer by stimulated Raman adiabatic passage for states involving nonzero angular momentum. The pump and Stokes fields are either copropagating or counterpropagating with the corresponding linearly polarized electric-field vectors lying in a common plane with the magnetic-field direction. Zeeman splitting lifts the magnetic sublevel degeneracy. We present an algebraic analysis of dressed-state properties to explain the behavior noted in numerical studies. In particular, we discuss conditions which are likely to lead to a failure of complete population transfer. The applied strategy, based on simple methods of linear algebra, will also be successful for other types of discrete multilevel systems, provided the rotating-wave and adiabatic approximation are valid.

Millimeter wave radiative transfer studies for precipitation measurements

NASA Technical Reports Server (NTRS)

Vivekanandan, J.; Evans, Frank

1989-01-01

Scattering calculations using the discrete dipole approximation and vector radiative transfer calculations were performed to model multiparameter radar return and passive microwave emission for a simple model of a winter storm. The issue of dendrite riming was addressed by computing scattering properties of thin ice disks with varying bulk density. It was shown that C-band multiparameter radar contains information about particle density and the number concentration of the ice particles. The radiative transfer modeling indicated that polarized multifrequency passive microwave emission may be used to infer some properties of ice hydrometers. Detailed radar modeling and vector radiative transfer modeling is in progress to enhance the understanding of simultaneous radar and radiometer measurements, as in the case of the proposed TRMM field program. A one-dimensional cloud model will be used to simulate the storm structure in detail and study the microphysics, such as size and density. Multifrequency polarized radiometer measurements from the SSMI satellite instrument will be analyzed in relation to dual-frequency and dual-polarization radar measurements.

Production of Highly Polarized Positrons Using Polarized Electrons at MeV Energies

NASA Astrophysics Data System (ADS)

Abbott, D.; Adderley, P.; Adeyemi, A.; Aguilera, P.; Ali, M.; Areti, H.; Baylac, M.; Benesch, J.; Bosson, G.; Cade, B.; Camsonne, A.; Cardman, L. S.; Clark, J.; Cole, P.; Covert, S.; Cuevas, C.; Dadoun, O.; Dale, D.; Dong, H.; Dumas, J.; Fanchini, E.; Forest, T.; Forman, E.; Freyberger, A.; Froidefond, E.; Golge, S.; Grames, J.; Guèye, P.; Hansknecht, J.; Harrell, P.; Hoskins, J.; Hyde, C.; Josey, B.; Kazimi, R.; Kim, Y.; Machie, D.; Mahoney, K.; Mammei, R.; Marton, M.; McCarter, J.; McCaughan, M.; McHugh, M.; McNulty, D.; Mesick, K. E.; Michaelides, T.; Michaels, R.; Moffit, B.; Moser, D.; Muñoz Camacho, C.; Muraz, J.-F.; Opper, A.; Poelker, M.; Réal, J.-S.; Richardson, L.; Setiniyaz, S.; Stutzman, M.; Suleiman, R.; Tennant, C.; Tsai, C.; Turner, D.; Ungaro, M.; Variola, A.; Voutier, E.; Wang, Y.; Zhang, Y.; PEPPo Collaboration

2016-05-01

The Polarized Electrons for Polarized Positrons experiment at the injector of the Continuous Electron Beam Accelerator Facility has demonstrated for the first time the efficient transfer of polarization from electrons to positrons produced by the polarized bremsstrahlung radiation induced by a polarized electron beam in a high-Z target. Positron polarization up to 82% have been measured for an initial electron beam momentum of 8.19 MeV /c , limited only by the electron beam polarization. This technique extends polarized positron capabilities from GeV to MeV electron beams, and opens access to polarized positron beam physics to a wide community.

Production of Highly Polarized Positrons Using Polarized Electrons at MeV Energies

DOE PAGES

Abbott, D.; Adderley, P.; Adeyemi, A.; ...

2016-05-27

The Polarized Electrons for Polarized Positrons experiment at the injector of the Continuous Electron Beam Accelerator Facility has demonstrated for the first time the efficient transfer of polarization from electrons to positrons produced by the polarized bremsstrahlung radiation induced by a polarized electron beam in a high-Z target. Positron polarization up to 82% have been measured for an initial electron beam momentum of 8.19~MeV/c, limited only by the electron beam polarization. We report that this technique extends polarized positron capabilities from GeV to MeV electron beams, and opens access to polarized positron beam physics to a wide community.

First measurement of beam-recoil observables Cx and Cz in hyperon photoproduction

NASA Astrophysics Data System (ADS)

Bradford, R. K.; Schumacher, R. A.; Adams, G.; Amaryan, M. J.; Ambrozewicz, P.; Anciant, E.; Anghinolfi, M.; Asavapibhop, B.; Asryan, G.; Audit, G.; Avakian, H.; 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.; Bianchi, N.; Biselli, A. S.; Bonner, B. E.; Bouchigny, S.; Boiarinov, S.; Branford, D.; Briscoe, W. J.; Brooks, W. K.; Bültmann, S.; Burkert, V. D.; Butuceanu, C.; Calarco, J. R.; Careccia, S. L.; Carman, D. S.; Carnahan, B.; Chen, S.; Cole, P. L.; Coleman, A.; Collins, P.; Coltharp, P.; Cords, D.; Corvisiero, P.; Crabb, D.; Crannell, H.; Crede, V.; Cummings, J. P.; Masi, R. De; Sanctis, E. De; Vita, R. De; Degtyarenko, P. V.; Denizli, H.; Dennis, L.; Deur, A.; Dharmawardane, K. V.; Dickson, R.; Djalali, C.; Dodge, G. E.; Donnelly, J.; Doughty, D.; Dragovitsch, P.; Dugger, M.; Dytman, S.; Dzyubak, O. P.; Egiyan, H.; Egiyan, K. S.; Fassi, L. El; Elouadrhiri, L.; Empl, A.; Eugenio, P.; 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.; 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.; Hu, J.; 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.; Kalantarians, N.; 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.; Lima, A. C. S.; Livingston, K.; Lu, H. Y.; Lukashin, K.; MacCormick, M.; Manak, J. J.; Marchand, C.; Markov, N.; 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.; Moriya, K.; Morrow, S. A.; Moteabbed, M.; Muccifora, V.; 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.; Quinn, B. P.; 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.; Salamanca, J.; Salgado, C.; Santoro, J. P.; Sapunenko, V.; Serov, V. S.; Shafi, A.; Sharabian, Y. G.; Shaw, J.; Shvedunov, N. V.; Simionatto, S.; Skabelin, A. V.; Smith, E. S.; Smith, L. C.; Sober, D. I.; Sokhan, D.; Spraker, M.; Stavinsky, A.; Stepanyan, S. S.; Stepanyan, S.; Stokes, B. E.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Taiuti, M.; Taylor, S.; Tedeschi, D. J.; Thoma, U.; Thompson, R.; Tkabladze, A.; Tkachenko, S.; Todor, L.; Tur, C.; Ungaro, M.; Vineyard, M. F.; Vlassov, A. V.; Wang, K.; Watts, D. P.; Weinstein, L. B.; Weller, H.; Weygand, D. P.; Williams, M.; Wolin, E.; Wood, M. H.; Yegneswaran, A.; Yun, J.; Zana, L.; Zhang, J.; Zhao, B.; Zhao, Z. W.

2007-03-01

Spin transfer from circularly polarized real photons to recoiling hyperons has been measured for the reactions γ→+p→K++Λ→ and γ→+p→K++Σ→0. The data were obtained using the CEBAF Large Acceptance Spectrometer (CLAS) detector at the Jefferson Lab for center-of-mass energies W between 1.6 and 2.53 GeV, and for -0.85

Liquid Adsorption of Organic Compounds on Hematite α-Fe2O3 Using ReaxFF.

PubMed

Chia, Chung-Lim; Avendaño, Carlos; Siperstein, Flor R; Filip, Sorin

2017-10-24

ReaxFF-based molecular dynamics simulations are used in this work to study the effect of the polarity of adsorbed molecules in the liquid phase on the structure and polarization of hematite (α-Fe 2 O 3 ). We compared the adsorption of organic molecules with different polarities on a rigid hematite surface and on a flexible and polarizable surface. We show that the displacements of surface atoms and surface polarization in a flexible hematite model are proportional to the adsorbed molecule's polarity. The increase in electrostatic interactions resulting from charge transfer in the outermost solid atoms in a flexible hematite model results in better-defined adsorbed layers that are less ordered than those obtained assuming a rigid solid. These results suggest that care must be taken when parametrizing empirical transferable force fields because the calculated charges on a solid slab in vacuum may not be representative of a real system, especially when the solid is in contact with a polar liquid.

Matrix operator theory of radiative transfer. 1: rayleigh scattering.

PubMed

Plass, G N; Kattawar, G W; Catchings, F E

1973-02-01

An entirely rigorous method for the solution of the equations for radiative transfer based on the matrix operator theory is reviewed. The advantages of the present method are: (1) all orders of the reflection and transmission matrices are calculated at once; (2) layers of any thickness may be combined, so that a realistic model of the atmosphere can be developed from any arbitrary number of layers, each with different properties and thicknesses; (3) calculations can readily be made for large optical depths and with highly anisotropic phase functions; (4) results are obtained for any desired value of the surface albedo including the value unity and for a large number of polar and azimuthal angles including the polar angle theta = 0 degrees ; (5) all fundamental equations can be interpreted immediately in terms of the physical interactions appropriate to the problem; (6) both upward and downward radiance can be calculated at interior points from relatively simple expressions. Both the general theory and its history together with the method of calculation are discussed. As a first example of the method numerous curves are given for both the reflected and transmitted radiance for Rayleigh scattering from a homogeneous layer for a range of optical thicknesses from 0.0019 to 4096, surface albedo A = 0, 0.2, and 1, and cosine of solar zenith angle micro = 1, 0.5397, and 0.1882. It is shown that the matrix operator approach contains the doubling method as a special case.

Water-polysaccharide interactions in the primary cell wall of Arabidopsis thaliana from polarization transfer solid-state NMR.

PubMed

White, Paul B; Wang, Tuo; Park, Yong Bum; Cosgrove, Daniel J; Hong, Mei

2014-07-23

Polysaccharide-rich plant cell walls are hydrated under functional conditions, but the molecular interactions between water and polysaccharides in the wall have not been investigated. In this work, we employ polarization transfer solid-state NMR techniques to study the hydration of primary-wall polysaccharides of the model plant, Arabidopsis thaliana. By transferring water (1)H polarization to polysaccharides through distance- and mobility-dependent (1)H-(1)H dipolar couplings and detecting it through polysaccharide (13)C signals, we obtain information about water proximity to cellulose, hemicellulose, and pectins as well as water mobility. Both intact and partially extracted cell wall samples are studied. Our results show that water-pectin polarization transfer is much faster than water-cellulose polarization transfer in all samples, but the extent of extraction has a profound impact on the water-polysaccharide spin diffusion. Removal of calcium ions and the consequent extraction of homogalacturonan (HG) significantly slowed down spin diffusion, while further extraction of matrix polysaccharides restored the spin diffusion rate. These trends are observed in cell walls with similar water content, thus they reflect inherent differences in the mobility and spatial distribution of water. Combined with quantitative analysis of the polysaccharide contents, our results indicate that calcium ions and HG gelation increase the amount of bound water, which facilitates spin diffusion, while calcium removal disrupts the gel and gives rise to highly dynamic water, which slows down spin diffusion. The recovery of spin diffusion rates after more extensive extraction is attributed to increased water-exposed surface areas of the polysaccharides. Water-pectin spin diffusion precedes water-cellulose spin diffusion, lending support to the single-network model of plant primary walls in which a substantial fraction of the cellulose surface is surrounded by pectins.

An Efficient Non-iterative Bulk Parametrization of Surface Fluxes for Stable Atmospheric Conditions Over Polar Sea-Ice

NASA Astrophysics Data System (ADS)

Gryanik, Vladimir M.; Lüpkes, Christof

2018-02-01

In climate and weather prediction models the near-surface turbulent fluxes of heat and momentum and related transfer coefficients are usually parametrized on the basis of Monin-Obukhov similarity theory (MOST). To avoid iteration, required for the numerical solution of the MOST equations, many models apply parametrizations of the transfer coefficients based on an approach relating these coefficients to the bulk Richardson number Rib. However, the parametrizations that are presently used in most climate models are valid only for weaker stability and larger surface roughnesses than those documented during the Surface Heat Budget of the Arctic Ocean campaign (SHEBA). The latter delivered a well-accepted set of turbulence data in the stable surface layer over polar sea-ice. Using stability functions based on the SHEBA data, we solve the MOST equations applying a new semi-analytic approach that results in transfer coefficients as a function of Rib and roughness lengths for momentum and heat. It is shown that the new coefficients reproduce the coefficients obtained by the numerical iterative method with a good accuracy in the most relevant range of stability and roughness lengths. For small Rib, the new bulk transfer coefficients are similar to the traditional coefficients, but for large Rib they are much smaller than currently used coefficients. Finally, a possible adjustment of the latter and the implementation of the new proposed parametrizations in models are discussed.

The Transfer of Resonance Line Polarization with Partial Frequency Redistribution in the General Hanle–Zeeman Regime

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

Ballester, E. Alsina; Bueno, J. Trujillo; Belluzzi, L., E-mail: ealsina@iac.es

2017-02-10

The spectral line polarization encodes a wealth of information about the thermal and magnetic properties of the solar atmosphere. Modeling the Stokes profiles of strong resonance lines is, however, a complex problem both from a theoretical and computational point of view, especially when partial frequency redistribution (PRD) effects need to be taken into account. In this work, we consider a two-level atom in the presence of magnetic fields of arbitrary intensity (Hanle–Zeeman regime) and orientation, both deterministic and micro-structured. Working within the framework of a rigorous PRD theoretical approach, we have developed a numerical code that solves the full non-LTEmore » radiative transfer problem for polarized radiation, in one-dimensional models of the solar atmosphere, accounting for the combined action of the Hanle and Zeeman effects, as well as for PRD phenomena. After briefly discussing the relevant equations, we describe the iterative method of solution of the problem and the numerical tools that we have developed and implemented. We finally present some illustrative applications to two resonance lines that form at different heights in the solar atmosphere, and provide a detailed physical interpretation of the calculated Stokes profiles. We find that magneto-optical effects have a strong impact on the linear polarization signals that PRD effects produce in the wings of strong resonance lines. We also show that the weak-field approximation has to be used with caution when PRD effects are considered.« less

Effects of polarization direction on laser-assisted free-free scattering

NASA Astrophysics Data System (ADS)

deHarak, B. A.; Kim, B. N.; Weaver, C. M.; Martin, N. L. S.; Siavashpouri, Mahsa; Nosarzewski, Benjamin

2016-06-01

This work will detail the effects of laser polarization direction (relative to the momentum transfer direction) on laser-assisted free-free scattering. Such processes play a role in the gas breakdown that occurs in electric discharges as well as providing a method for the laser heating of a plasma (Musa et al 2010 J. Phys. B: At. Mol. Opt. Phys. 43 175201, Mason 1993 Rep. Prog. Phys. 56 1275). Experimental results will be presented for electron-helium scattering in the presence of an Nd:YAG laser field (hν =1.17 eV) where the polarization direction was varied in a plane that is perpendicular to the scattering plane. To date, all of our experimental results are well described by the Kroll-Watson approximation (KWA) (Kroll and Watson 1973 Phys. Rev. A 8 804). The good agreement between our experiments and calculations using the KWA includes the case where the polarization is perpendicular to the momentum transfer direction, for which the KWA predicts vanishing cross section; other workers have found that the KWA tends to be inaccurate for cases where it predicts small cross sections (e.g. Musa et al 2010 J. Phys. B: At. Mol. Opt. Phys. 43 175201). We also present simulations of the effects that multiple scattering might have on experimental measurements. In particular, we examine conditions that are expected to be similar to those of the experiments reported by Wallbank and Holmes (Wallbank and Holmes 1993 Phys. Rev. A 48 R2515).

Polarization and studies of evolved star mass loss

NASA Astrophysics Data System (ADS)

Sargent, Benjamin; Srinivasan, Sundar; Riebel, David; Meixner, Margaret

2012-05-01

Polarization studies of astronomical dust have proven very useful in constraining its properties. Such studies are used to constrain the spatial arrangement, shape, composition, and optical properties of astronomical dust grains. Here we explore possible connections between astronomical polarization observations to our studies of mass loss from evolved stars. We are studying evolved star mass loss in the Large Magellanic Cloud (LMC) by using photometry from the Surveying the Agents of a Galaxy's Evolution (SAGE; PI: M. Meixner) Spitzer Space Telescope Legacy program. We use the radiative transfer program 2Dust to create our Grid of Red supergiant and Asymptotic giant branch ModelS (GRAMS), in order to model this mass loss. To model emission of polarized light from evolved stars, however, we appeal to other radiative transfer codes. We probe how polarization observations might be used to constrain the dust shell and dust grain properties of the samples of evolved stars we are studying.

Electric field control of spin transfer torque in multiferroic tunnel junctions

NASA Astrophysics Data System (ADS)

Useinov, Artur; Kalitsov, Alan; Velev, Julian; Kioussis, Nicholas

2014-03-01

Based on model calculations we predict that the spin transfer torque (STT) in magnetic tunnel junctions with ferroelectric barriers can be strongly influenced by the saturated polarization of the barrier. The STT in such multiferroic tunnel junctions is calculated within the non-equilibrium Keldysh formalism generalized for non-collinear transport and implemented in the framework of a single-band tight-binding (TB) model. We calculate the bias dependence of both the in-plane (T∥) and out-of-plane (T⊥) components of STT as a function of the ferroelectric polarization (P) in the barrier. We find that the components of STT strongly depend on both the magnitude and the direction of the polarization. In particular switching of the polarization direction can dramatically alter the value of the STT and can even lead to a change of sign of T∥ and the voltage-induced part of T⊥. The effect is proportional to the magnitude of the polarization.

Polarization Rotation Caused by Cross-Beam Energy Transfer in Direct-Drive Implosions

NASA Astrophysics Data System (ADS)

Edgell, D. H.; Follett, R. K.; Katz, J.; Myatt, J. F.; Shaw, J. G.; Turnbull, D.; Froula, D. H.

2017-10-01

The first evidence of polarization rotation caused by cross-beam energy transfer (CBET) during direct-drive implosions has been provided by a new beamlets diagnostic that was fielded on OMEGA. Beamlet images are, in essence, the end points of beamlets of light originating from different regions of each beam profile and following paths determined by refraction through the coronal plasma. The intensity of each beamlet varies because of absorption and many CBET interactions along that path. The new diagnostic records images in two time windows and includes a Wollaston prism to split each beamlet into two orthogonal polarization images recording the polarization of each beamlet. Only the common polarization components couple during CBET so when each beam is linearly polarized, CBET rotates the polarization of each beam. A 3-D CBET postprocessor for hydrodynamics codes was used to model the beamlet images. The predicted images are compared to the images recorded by the new diagnostic. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

Charge transfer in iridate-manganite superlattices

DOE PAGES

Okamoto, Satoshi; Nichols, John; Sohn, Changhee; ...

2017-03-03

Charge transfer in superlattices consisting of SrIrOmore » $$_3$$ and SrMnO$$_3$$ is investigated using density functional theory. Despite the nearly identical work function and non-polar interfaces between SrIrO$$_3$$ and SrMnO$$_3$$, rather large charge transfer was experimentally reported between them. Our results provide a qualitative understanding to such experimental reports. We further develop a microscopic model that captures the mechanism behind this phenomenon. This leads to unique strain dependence of such charge transfer in iridate-manganite superlattices. The predicted behavior is consistently verified by experiment. Lastly, our work thus demonstrates a new route to control electronic states in non-polar oxide heterostructures.« less

Live births after polar body biopsy and frozen-thawed cleavage stage embryo transfer: case report

PubMed Central

Guimarães, Fernando; Roque, Matheus; Valle, Marcello; Kostolias, Alessandra; de Azevedo, Rodrigo A; Martinhago, Ciro D; Sampaio, Marcos; Geber, Selmo

2016-01-01

Pre-implantation genetic diagnosis (PGD) or screening (PGS) technology, has emerged and developed in the past few years, benefiting couples as it allows the selection and transfer of healthy embryos during IVF treatments. These techniques can be performed in oocytes (polar-body biopsy) or embryos (blastomere or trophectoderm biopsy). In this case report, we describe the first two live births to be published in Brazil after a polar-body (PB) biopsy. In case 1, a 42-year-old was submitted to PB biopsy with PGS due to advanced maternal age and poor ovarian reserve. Five MII oocytes underwent first and second polar body biopsy and four cleavage embryos were cryopreserved. The PGS analysis resulted in two euploid embryos (next generation sequence). A frozen-thawed embryo transfer (FET) was performed after endometrial priming and a healthy baby was delivered after a cesarean section (37 weeks, female, 3390g, 47.5 cm). In case 2, a 40-year old patient with balanced translocation and poor ovarian response was submitted to PB biopsy. Two MII oocytes underwent first and second polar body biopsy and two embryos were cryopreserved in cleavage stage. The analysis resulted in one euploid embryo that was transferred after endometrial priming. A preterm healthy baby (34 weeks, female, 2100g, 40 cm) was delivered via cesarean section. In conclusion, although the blastocyst biopsy is the norm when performing PGS/PGD during IVF treatments, other alternatives (as PB biopsy) should be considered in some specific situations. PMID:28050963

Live births after polar body biopsy and frozen-thawed cleavage stage embryo transfer: case report.

PubMed

Guimarães, Fernando; Roque, Matheus; Valle, Marcello; Kostolias, Alessandra; Azevedo, Rodrigo A de; Martinhago, Ciro D; Sampaio, Marcos; Geber, Selmo

2016-12-01

Pre-implantation genetic diagnosis (PGD) or screening (PGS) technology, has emerged and developed in the past few years, benefiting couples as it allows the selection and transfer of healthy embryos during IVF treatments. These techniques can be performed in oocytes (polar-body biopsy) or embryos (blastomere or trophectoderm biopsy). In this case report, we describe the first two live births to be published in Brazil after a polar-body (PB) biopsy. In case 1, a 42-year-old was submitted to PB biopsy with PGS due to advanced maternal age and poor ovarian reserve. Five MII oocytes underwent first and second polar body biopsy and four cleavage embryos were cryopreserved. The PGS analysis resulted in two euploid embryos (next generation sequence). A frozen-thawed embryo transfer (FET) was performed after endometrial priming and a healthy baby was delivered after a cesarean section (37 weeks, female, 3390g, 47.5 cm). In case 2, a 40-year old patient with balanced translocation and poor ovarian response was submitted to PB biopsy. Two MII oocytes underwent first and second polar body biopsy and two embryos were cryopreserved in cleavage stage. The analysis resulted in one euploid embryo that was transferred after endometrial priming. A preterm healthy baby (34 weeks, female, 2100g, 40 cm) was delivered via cesarean section. In conclusion, although the blastocyst biopsy is the norm when performing PGS/PGD during IVF treatments, other alternatives (as PB biopsy) should be considered in some specific situations.

Synthesis, crystallographic, spectral, and spectrophotometric studies of proton transfer complex of 1,2-dimethylimidazole with 3,5-dinitrobenzoic acid in different polar solvents

NASA Astrophysics Data System (ADS)

Miyan, Lal; Zulkarnain; Ahmad, Afaq

2017-04-01

The molecular interaction between 1, 2-dimethylimidazole (DMI) and 3,5-dinitrobenzoic acid (DNBA) has been investigated in methanol at room temperature. The stoichiometry of the synthesized CT complex was found to be 1:1 using the straight line method of Benesi-Hildebrand equation. The structure of the resulting CT complex was isolating and characterized using X-ray crystallography, FTIR and 1H NMR spectroscopic techniques. The thermal composition and stability of the CT complex were analyzed using thermogravimetric and differential thermal analysis (TGA and DTA). UV-visible spectrophotometric technique was used to the determine the various important physical parameters such as formation constant (KCT), molar extinction coefficient (εCT), energy of interaction (ECT), ionization potential (ID), resonance energy (RN), free energy (ΔG°), oscillator strength (ƒ) and transition dipole moment (μN). The effect of polarity of the solvent and concentration of acceptor on these parameters have been investigated. The results indicate that charge transfer complex (CTC) is more stable in less polar solvent due to the high value of the formation constant. A polymeric network through hydrogen bonding interaction between neighboring moieties was observed. This has also been attributed to the formation of 1:1 type CT complex.

Complete magnetic field dependence of SABRE-derived polarization.

PubMed

Kiryutin, Alexey S; Yurkovskaya, Alexandra V; Zimmermann, Herbert; Vieth, Hans-Martin; Ivanov, Konstantin L

2018-07-01

Signal amplification by reversible exchange (SABRE) is a promising hyperpolarization technique, which makes use of spin-order transfer from parahydrogen (the H 2 molecule in its singlet spin state) to a to-be-polarized substrate in a transient organometallic complex, termed the SABRE complex. In this work, we present an experimental method for measuring the magnetic field dependence of the SABRE effect over an ultrawide field range, namely, from 10 nT to 10 T. This approach gives a way to determine the complete magnetic field dependence of SABRE-derived polarization. Here, we focus on SABRE polarization of spin-1/2 hetero-nuclei, such as 13 C and 15 N and measure their polarization in the entire accessible field range; experimental studies are supported by calculations of polarization. Features of the field dependence of polarization can be attributed to level anticrossings in the spin system of the SABRE complex. Features at magnetic fields of the order of 100 nT-1 μT correspond to "strong coupling" of protons and hetero-nuclei, whereas features found in the mT field range stem from "strong coupling" of the proton system. Our approach gives a way to measuring and analyzing the complete SABRE field dependence, to probing NMR parameters of SABRE complexes and to optimizing the polarization value. Copyright © 2017 John Wiley & Sons, Ltd.

Para-hydrogen induced polarization of amino acids, peptides and deuterium-hydrogen gas.

PubMed

Glöggler, Stefan; Müller, Rafael; Colell, Johannes; Emondts, Meike; Dabrowski, Martin; Blümich, Bernhard; Appelt, Stephan

2011-08-14

Signal Amplification by Reversible-Exchange (SABRE) is a method of hyperpolarizing substrates by polarization transfer from para-hydrogen without hydrogenation. Here, we demonstrate that this method can be applied to hyperpolarize small amounts of all proteinogenic amino acids and some chosen peptides down to the nanomole regime and can be detected in a single scan in low-magnetic fields down to 0.25 mT (10 kHz proton frequency). An outstanding feature is that depending on the chemical state of the used catalyst and the investigated amino acid or peptide, hyperpolarized hydrogen-deuterium gas is formed, which was detected with (1)H and (2)H NMR spectroscopy at low magnetic fields of B(0) = 3.9 mT (166 kHz proton frequency) and 3.2 mT (20 kHz deuterium frequency).

HO-CHUNK: Radiation Transfer code

NASA Astrophysics Data System (ADS)

Whitney, Barbara A.; Wood, Kenneth; Bjorkman, J. E.; Cohen, Martin; Wolff, Michael J.

2017-11-01

HO-CHUNK calculates radiative equilibrium temperature solution, thermal and PAH/vsg emission, scattering and polarization in protostellar geometries. It is useful for computing spectral energy distributions (SEDs), polarization spectra, and images.

Elimination of polarity in the carotenoid terminus promotes the exposure of B850-binding sites (Tyr 44, 45) and ANS-mediated energy transfer in LH2 complexes of Rhodobacter sphaeroides.

PubMed

Liu, Yuan; Wu, Yongqiang; Xu, Chunhe

2004-12-10

Carotenoids in the peripheral light-harvesting complexes (LH2) of the green mutant (GM309) of Rhodobacter sphaeroides were identified as containing neurosporenes, which lack the polar CH(3)O group, compared to spheroidenes in native-LH2 of R. sphaeroides 601. After LH2 complexes were treated with 1-anilino-8-naphthalene sulfonate (ANS), new energy transfer pathways from ANS or tryptophan to carotenoids were discovered in both native- and GM309-LH2. The carotenoid fluorescence intensity of GM309-LH2 was greater than that of native-LH2 when bound with ANS, suggesting that the elimination of polarity in the neurosporene increases the energy transfer from ANS to carotenoid. The fact that two alpha-tyrosines (alpha-Tyr 44, 45, B850-binding sites) in each alpha-apoprotein of GM309-LH2 were more easily modified than those of native-LH2 by N-acetylimidazole (NAI) indicates that the elimination of polarity in the neurosporene terminus increases the exposure of these sites to solution.

MD studies of electron transfer at ambient and elevated pressures

NASA Astrophysics Data System (ADS)

Giles, Alex; Spooner, Jacob; Weinberg, Noham

2013-06-01

The effect of pressure on the rate constants of outer-sphere electron transfer reactions has often been described using the Marcus-Hush theory. This theory agrees well with experiment when internal reorganization of the ionic system is negligible, however it does not offer a recipe for calculation of the effects that result from significant solute restructuring. We have recently developed a molecular dynamics technique that accurately describes structural dependence of molecular volumes in non-polar and weakly polar systems. We are now extending this approach to the case of highly polar ionic systems where both solvent and solute restructuring components are important. For this purpose we construct pressure-dependent two-dimensional surfaces for electron transfer reactions in coordinate system composed of interionic distance and Marcus-type solvent polarization coordinate, and use these surfaces to describe pressure effects on reaction kinetics. R.A. Marcus. J. Chem. Phys. 24, 966 (1956); 24, 979 (1956); 26, 867 (1957). Discuss. Faraday Soc. 29, 21 (1960). Faraday Discuss. Chem. Soc. 74, 7 (1982); N.S. Hush. Trans. Faraday Soc. 57, 557 (1961).

Wideband metamaterial array with polarization-independent and wide incident angle for harvesting ambient electromagnetic energy and wireless power transfer

NASA Astrophysics Data System (ADS)

Zhong, Hui-Teng; Yang, Xue-Xia; Song, Xing-Tang; Guo, Zhen-Yue; Yu, Fan

2017-11-01

In this work, we introduced the design, demonstration, and discussion of a wideband metamaterial array with polarization-independent and wide-angle for harvesting ambient electromagnetic (EM) energy and wireless power transfer. The array consists of unit cells with one square ring and four metal bars. In comparison to the published metamaterial arrays for harvesting EM energy or wireless transfer, this design had the wide operation bandwidth with the HPBW (Half Power Band Width) of 110% (6.2 GHz-21.4 GHz), which overcomes the narrow-band operation induced by the resonance characteristic of the metamaterial. On the normal incidence, the simulated maximum harvesting efficiency was 96% and the HPBW was 110% for the random polarization wave. As the incident angle increases to 45°, the maximum efficiency remained higher than 88% and the HPBW remained higher than 83% for the random polarization wave. Furthermore, the experimental verification of the designed metamaterial array was conducted, and the measured results were in reasonable agreement with the simulated ones.

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.

Dispersion Relations for Proton Relaxation in Solid Dielectrics

NASA Astrophysics Data System (ADS)

Kalytka, V. A.; Korovkin, M. V.

2017-04-01

Frequency-temperature spectra of the complex permittivity are studied for proton semiconductors and dielectrics using the methods of a quasi-classical kinetic theory of dielectric relaxation (the Boltzmann kinetic theory) in the linear approximation with respect to the polarizing field in the radio frequency range at temperatures T = 50-450 K. The effect of the quantum transitions of protons on the Debye dispersion relations is taken into account for crystals with hydrogen bonds (HBC) at low temperatures (50-100 K). The diffusion coefficients and the mobilities under electrical transfer of protons in the HBCs are constructed at high temperatures (100-350 K) in a non-linear approximation with respect to the polarizing field.

Liquid hyperpolarized 129Xe produced by phase exchange in a convection cell

NASA Astrophysics Data System (ADS)

Su, T.; Samuelson, G. L.; Morgan, S. W.; Laicher, G.; Saam, B.

2004-09-01

We present a method for the production of liquid hyperpolarized Xe129 that employs spin-exchange optical pumping in the gas phase and subsequent phase exchange with a column of xenon liquid. A convection loop inside the sealed glass cell allows efficient transfer of magnetization between the gas and liquid phases. By condensing to liquid a large fraction of the sample, this scheme permits the polarization of many more Xe129 atoms in a given sealed-cell volume than would otherwise be possible. We have thus far produced a steady-state polarization of 8% in 0.1mL of liquid with a characteristic rise time of ≈15min.

Polar body based aneuploidy screening is poorly predictive of embryo ploidy and reproductive potential.

PubMed

Salvaggio, C N; Forman, E J; Garnsey, H M; Treff, N R; Scott, R T

2014-09-01

Polar body (polar body) biopsy represents one possible solution to performing comprehensive chromosome screening (CCS). This study adds to what is known about the predictive value of polar body based testing for the genetic status of the resulting embryo, but more importantly, provides the first evaluation of the predictive value for actual clinical outcomes after embryo transfer. SNP array was performed on first polar body, second polar body, and either a blastomere or trophectoderm biopsy, or the entire arrested embryo. Concordance of the polar body-based prediction with the observed diagnoses in the embryos was assessed. In addition, the predictive value of the polar body -based diagnosis for the specific clinical outcome of transferred embryos was evaluated through the use of DNA fingerprinting to track individual embryos. There were 459 embryos analyzed from 96 patients with a mean maternal age of 35.3. The polar body-based predictive value for the embryo based diagnosis was 70.3%. The blastocyst implantation predictive value of a euploid trophectoderm was higher than from euploid polar bodies (51% versus 40%). The cleavage stage embryo implantation predictive value of a euploid blastomere was also higher than from euploid polar bodies (31% versus 22%). Polar body based aneuploidy screening results were less predictive of actual clinical outcomes than direct embryo assessment and may not be adequate to improve sustained implantation rates. In nearly one-third of cases the polar body based analysis failed to predict the ploidy of the embryo. This imprecision may hinder efforts for polar body based CCS to improve IVF clinical outcomes.

Nuclear magnetic resonance of laser-polarized noble gases in molecules, materials and organisms

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

Goodson, Boyd McLean

1999-12-01

Conventional nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) are fundamentally challenged by the insensitivity that stems from the ordinarily low spin polarization achievable in even the strongest NMR magnets. However, by transferring angular momentum from laser light to electronic and nuclear spins, optical pumping methods can increase the nuclear spin polarization of noble gases by several orders of magnitude, thereby greatly enhancing their NMR sensitivity. This dissertation is primarily concerned with the principles and practice of optically pumped nuclear magnetic resonance (OPNMR). The enormous sensitivity enhancement afforded by optical pumping noble gases can be exploited to permitmore » a variety of novel NMR experiments across many disciplines. Many such experiments are reviewed, including the void-space imaging of organisms and materials, NMR and MRI of living tissues, probing structure and dynamics of molecules in solution and on surfaces, and zero-field NMR and MRI.« less

Non-electrolytic synthesis of copper oxide/carbon nanocomposite by surface plasma in super-dehydrated ethanol

NASA Astrophysics Data System (ADS)

Kozak, Dmytro S.; Sergiienko, Ruslan A.; Shibata, Etsuro; Iizuka, Atsushi; Nakamura, Takashi

2016-02-01

Electrolytic processes are widely used to synthesize different nanomaterials and it does not depend on what kind of the method has been applied (wet-chemistry, sonochemistry, plasma chemistry, electrolysis and so on). Generally, the reactions in the electrolyte are considered to be reduction/oxidation (REDOX) reactions between chemical reagents or the deposition of matter on the electrodes, in line with Faraday’s law. Due to the presence of electroconductive additives in any electrolyte, the polarization effect of polar molecules conducting an electrical current disappears, when external high-strength electric field is induced. Because initially of the charge transfer always belongs of electroconductive additive and it does not depend on applied voltage. The polarization of ethanol molecules has been applied to conduct an electric current by surface plasma interaction for the synthesis of a copper oxide/carbon nanocomposite material.

Spatially Resolved Sub-millimeter Continuum Imaging of Neptune with ALMA

NASA Astrophysics Data System (ADS)

Iino, Takahiro; Yamada, Takayoshi

2018-02-01

This paper reports the result of spatially resolved 646 GHz sub-millimeter imaging observation of Neptune obtained by the Atacama Large Millimeter and sub-millimeter Array. The observation was performed in 2012 August as the flux calibration and synthesized beam size were small enough to resolve Neptune’s disk at this time. This analysis aims to constrain the vertical structure of deep and upper-tropospheric South polar hot spot detected previously with mid-IR, millimeter, and centimeter wavelength. The probed atmospheric pressure region estimated by the radiative-transfer method was between 1.0 and 0.6 bar for the nadir and South pole views, respectively. The South polar hot spot was not detected clearly with an uncertainty of 2.1 K. The apparent discontinuity of tropospheric and stratospheric hot spot may be caused by the vertical wind shear of South polar zonal jet.

Inhomogeneity and velocity fields effects on scattering polarization in solar prominences

NASA Astrophysics Data System (ADS)

Milić, I.; Faurobert, M.

2015-10-01

One of the methods for diagnosing vector magnetic fields in solar prominences is the so called "inversion" of observed polarized spectral lines. This inversion usually assumes a fairly simple generative model and in this contribution we aim to study the possible systematic errors that are introduced by this assumption. On two-dimensional toy model of a prominence, we first demonstrate importance of multidimensional radiative transfer and horizontal inhomogeneities. These are able to induce a significant level of polarization in Stokes U, without the need for the magnetic field. We then compute emergent Stokes spectrum from a prominence which is pervaded by the vector magnetic field and use a simple, one-dimensional model to interpret these synthetic observations. We find that inferred values for the magnetic field vector generally differ from the original ones. Most importantly, the magnetic field might seem more inclined than it really is.

Spin-torque driven magnetization switching in ferromagnetic nanopillar with pinned layer biasing configuration

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

Bhoomeeswaran, H.; Sabareesan, P., E-mail: sendtosabari@gmail.com; Bharathi, B. Divya

2016-05-06

Magnetization switching driven by spin transfer torque in a ferromagnetic nanopillar by biasing the angular polarizer with different orientation has been studied. The free layer dynamics includes the spin torque from the oscillating free layer with magneto crystalline anisotropy and shape anisotropy, which is governed by the Landau-Lifshitsz-Gilbert-Slonczweski (LLGS) equation and solving it numerically by using embedded Runge Kutta fourth order method. Results of numerical simulation shows that there is a drastic reduction of switching time in the free layer by the orientation of angular polarizer of the nano pillar device. We fixed the angular polarizer as 0°, 30°, 60°,more » 90° and the corresponding switching time is 6.53 ns, 4.36 ns, 2.25 ns and 1.21 ns respectively for an applied current density of 5 × 10{sup 11} Am{sup −2}.« less

IPRT polarized radiative transfer model intercomparison project - Phase A

NASA Astrophysics Data System (ADS)

Emde, Claudia; Barlakas, Vasileios; Cornet, Céline; Evans, Frank; Korkin, Sergey; Ota, Yoshifumi; Labonnote, Laurent C.; Lyapustin, Alexei; Macke, Andreas; Mayer, Bernhard; Wendisch, Manfred

2015-10-01

The polarization state of electromagnetic radiation scattered by atmospheric particles such as aerosols, cloud droplets, or ice crystals contains much more information about the optical and microphysical properties than the total intensity alone. For this reason an increasing number of polarimetric observations are performed from space, from the ground and from aircraft. Polarized radiative transfer models are required to interpret and analyse these measurements and to develop retrieval algorithms exploiting polarimetric observations. In the last years a large number of new codes have been developed, mostly for specific applications. Benchmark results are available for specific cases, but not for more sophisticated scenarios including polarized surface reflection and multi-layer atmospheres. The International Polarized Radiative Transfer (IPRT) working group of the International Radiation Commission (IRC) has initiated a model intercomparison project in order to fill this gap. This paper presents the results of the first phase A of the IPRT project which includes ten test cases, from simple setups with only one layer and Rayleigh scattering to rather sophisticated setups with a cloud embedded in a standard atmosphere above an ocean surface. All scenarios in the first phase A of the intercomparison project are for a one-dimensional plane-parallel model geometry. The commonly established benchmark results are available at the IPRT website.

Atomic origin of the spin-polarization of the Co2FeAl Heusler compound

NASA Astrophysics Data System (ADS)

Liang, Jaw-Yeu; Lam, Tu-Ngoc; Lin, Yan-Cheng; Chang, Shu-Jui; Lin, Hong-Ji; Tseng, Yuan-Chieh

2016-02-01

Using synchrotron x-ray techniques, we studied the Co2FeAl spin-polarization state that generates the half-metallicity of the compound during an A2 (low-spin)  →  B2 (high-spin) phase transition. Given the advantage of element specificity of x-ray techniques, we could fingerprint the structural and magnetic cross-reactions between Co and Fe within a complex Co2FeAl structure deposited on a MgO (0 0 1) substrate. X-ray diffraction and extended x-ray absorption fine structure investigations determined that the Co atoms preferably populate the (1/4,1/4,1/4) and (3/4,3/4,3/4) sites during the development of the B2 phase. X-ray magnetic spectroscopy showed that although the two magnetic elements were ferromagnetically coupled, they interacted in a competing manner via a charge-transfer effect, which enhanced Co spin polarization at the expense of Fe spin polarization during the phase transition. This means that the spin-polarization of Co2FeAl was electronically dominated by Fe in A2 whereas the charge transfer turned the dominance to Co upon B2 formation. Helicity-dependent x-ray absorption spectra also revealed that only the minority state of Co/Fe was involved in the charge-transfer effect whereas the majority state was independent of it. Despite an overall increase of Co2FeAl magnetization, the charge-transfer effect created an undesired trade-off during the Co-Fe exchange interactions, because of the presence of twice as many X sites (Co) as Y sites (Fe) in the Heusler X 2 YZ formula. This suggests that the spin-polarization of Co2FeAl is unfortunately regulated by compromising the enhanced X (Co) sites and the suppressed Y (Fe) sites, irrespective of the development of the previously known high-spin-polarization phase of B2. This finding provides a possible cause for the limited half-metallicity of Co2FeAl discovered recently. Electronic tuning between the X and Y sites is necessary to further increase the spin-polarization, and likely the half-metallicity as well, of the compound.

Mass transfer from a sphere in an oscillating flow with zero mean velocity

NASA Technical Reports Server (NTRS)

Drummond, Colin K.; Lyman, Frederic A.

1990-01-01

A pseudospectral numerical method is used for the solution of the Navier-Stokes and mass transport equations for a sphere in a sinusoidally oscillating flow with zero mean velocity. The flow is assumed laminar and axisymmetric about the sphere's polar axis. Oscillating flow results were obtained for Reynolds numbers (based on the free-stream oscillatory flow amplitude) between 1 and 150, and Strouhal numbers between 1 and 1000. Sherwood numbers were computed and their dependency on the flow frequency and amplitude discussed. An assessment of the validity of the quasi-steady assumption for mass transfer is based on these results.

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.

Polarimetric signatures of a canopy of dielectric cylinders based on first and second order vector radiative transfer theory

NASA Technical Reports Server (NTRS)

Tsang, Leung; Chan, Chi Hou; Kong, Jin AU; Joseph, James

1992-01-01

Complete polarimetric signatures of a canopy of dielectric cylinders overlying a homogeneous half space are studied with the first and second order solutions of the vector radiative transfer theory. The vector radiative transfer equations contain a general nondiagonal extinction matrix and a phase matrix. The energy conservation issue is addressed by calculating the elements of the extinction matrix and the elements of the phase matrix in a manner that is consistent with energy conservation. Two methods are used. In the first method, the surface fields and the internal fields of the dielectric cylinder are calculated by using the fields of an infinite cylinder. The phase matrix is calculated and the extinction matrix is calculated by summing the absorption and scattering to ensure energy conservation. In the second method, the method of moments is used to calculate the elements of the extinction and phase matrices. The Mueller matrix based on the first order and second order multiple scattering solutions of the vector radiative transfer equation are calculated. Results from the two methods are compared. The vector radiative transfer equations, combined with the solution based on method of moments, obey both energy conservation and reciprocity. The polarimetric signatures, copolarized and depolarized return, degree of polarization, and phase differences are studied as a function of the orientation, sizes, and dielectric properties of the cylinders. It is shown that second order scattering is generally important for vegetation canopy at C band and can be important at L band for some cases.

High-precision broad-band linear polarimetry of early-type binaries. II. Variable, phase-locked polarization in triple Algol-type system λ Tauri

NASA Astrophysics Data System (ADS)

Berdyugin, A.; Piirola, V.; Sakanoi, T.; Kagitani, M.; Yoneda, M.

2018-03-01

Aim. To study the binary geometry of the classic Algol-type triple system λ Tau, we have searched for polarization variations over the orbital cycle of the inner semi-detached binary, arising from light scattering in the circumstellar material formed from ongoing mass transfer. Phase-locked polarization curves provide an independent estimate for the inclination i, orientation Ω, and the direction of the rotation for the inner orbit. Methods: Linear polarization measurements of λ Tau in the B, V , and R passbands with the high-precision Dipol-2 polarimeter have been carried out. The data have been obtained on the 60 cm KVA (Observatory Roque de los Muchachos, La Palma, Spain) and Tohoku 60 cm (Haleakala, Hawaii, USA) remotely controlled telescopes over 69 observing nights. Analytic and numerical modelling codes are used to interpret the data. Results: Optical polarimetry revealed small intrinsic polarization in λ Tau with 0.05% peak-to-peak variation over the orbital period of 3.95 d. The variability pattern is typical for binary systems showing strong second harmonic of the orbital period. We apply a standard analytical method and our own light scattering models to derive parameters of the inner binary orbit from the fit to the observed variability of the normalized Stokes parameters. From the analytical method, the average for three passband values of orbit inclination i = 76° + 1°/-2° and orientation Ω = 15°(195°) ± 2° are obtained. Scattering models give similar inclination values i = 72-76° and orbit orientation ranging from Ω = 16°(196°) to Ω = 19°(199°), depending on the geometry of the scattering cloud. The rotation of the inner system, as seen on the plane of the sky, is clockwise. We have found that with the scattering model the best fit is obtained for the scattering cloud located between the primary and the secondary, near the inner Lagrangian point or along the Roche lobe surface of the secondary facing the primary. The inclination i, inferred from polarimetry, agrees with the previously made conclusion on the semi-detached nature of the inner binary, whose secondary component is filling its Roche lobe. The non-periodic scatter, which is also present in the polarization data, can be interpreted as being due to sporadic changes in the mass transfer rate. The polarization data for λ Tauri are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/611/A69

Vector Sky Glint Corrections for Above Surface Retrieval of the Subsurface Polarized Light Field

NASA Astrophysics Data System (ADS)

Gilerson, A.; Foster, R.; McGilloway, A.; Ibrahim, A.; El-habashi, A.; Carrizo, C.; Ahmed, S.

2016-02-01

Knowledge of the underwater light field is fundamental to determining the health of the world's oceans and coastal regions. For decades, traditional remote sensing retrieval methods that rely solely on the spectral intensity of the water-leaving light have provided indicators of marine ecosystem health. As the demand for retrieval accuracy rises, use of the polarized nature of light as an additional remote sensing tool is becoming necessary. In order to observe the underwater polarized light field from above the surface (for ship, shore, or satellite applications), a method of correcting the above water signal for the effects of polarized surface-reflected skylight is needed. For three weeks in July-August 2014, the NASA Ship Aircraft Bio-Optical Research (SABOR) cruise continuously observed the polarized radiance of the ocean and the sky using a HyperSAS-POL system. The system autonomously tracks the Sun position and the heading of the research vessel in order to maintain a fixed relative solar azimuth angle (i.e. ±90°) and therefore avoid the specular reflection of the sunlight. Additionally, in-situ inherent optical properties (IOPs) were continuously acquired using a set of instrument packages modified for underway measurement, hyperspectral radiometric measurements were taken manually at all stations, and an underwater polarimeter was deployed when conditions permitted. All measurements, above and below the sea surface, were combined and compared in an effort to first develop a glint (sky + Sun) correction scheme for the upwelling polarized signal from a wind-driven ocean surface and compare with one assuming that the ocean surface is flat. Accurate retrieval of the subsurface vector light field is demonstrated through comparisons with polarized radiative transfer codes and direct measurements made by the underwater polarimeter.

Simulation of solution phase electron transfer in a compact donor-acceptor dyad.

PubMed

Kowalczyk, Tim; Wang, Lee-Ping; Van Voorhis, Troy

2011-10-27

Charge separation (CS) and charge recombination (CR) rates in photosynthetic architectures are difficult to control, yet their ratio can make or break photon-to-current conversion efficiencies. A rational design approach to the enhancement of CS over CR requires a mechanistic understanding of the underlying electron-transfer (ET) process, including the role of the environment. Toward this goal, we introduce a QM/MM protocol for ET simulations and use it to characterize CR in the formanilide-anthraquinone dyad (FAAQ). Our simulations predict fast recombination of the charge-transfer excited state, in agreement with recent experiments. The computed electronic couplings show an electronic state dependence and are weaker in solution than in the gas phase. We explore the role of cis-trans isomerization on the CR kinetics, and we find strong correlation between the vertical energy gaps of the full simulations and a collective solvent polarization coordinate. Our approach relies on constrained density functional theory to obtain accurate diabatic electronic states on the fly for molecular dynamics simulations, while orientational and electronic polarization of the solvent is captured by a polarizable force field based on a Drude oscillator model. The method offers a unified approach to the characterization of driving forces, reorganization energies, electronic couplings, and nonlinear solvent effects in light-harvesting systems.

Latrunculin A can improve the birth rate of cloned mice and simplify the nuclear transfer protocol by gently inhibiting actin polymerization.

PubMed

Terashita, Yukari; Wakayama, Sayaka; Yamagata, Kazuo; Li, Chong; Sato, Eimei; Wakayama, Teruhiko

2012-06-01

Although animal cloning is becoming more practicable, there are many abnormalities in cloned embryos, and the success rate of producing live animals by cloning has been low. Here, we focused on the procedure for preventing pseudo-second polar body extrusion from somatic cell nuclear transfer (SCNT)-derived oocytes. Typically, reconstructed oocytes are treated with cytochalasin B (CB), but here latrunculin A (LatA) was used instead of CB to prevent pseudo-second polar body extrusion by inhibiting actin polymerization. CB caps F-actin, LatA binds G-actin, and both drugs prevent their polymerization. When the localization of F-actin was examined using phalloidin staining, it was abnormally scattered in the cytoplasm of CB-treated 1-cell embryos, but this was not detected in LatA-treated or in vitro fertilization-derived control embryos. The spindle was larger in CB-treated oocytes than in LatA-treated or untreated control oocytes. LatA treatment also doubled the rate of full-term development after embryo transfer. These results suggest that cloning efficiency in mice can be improved by optimizing each step of the SCNT procedure. Moreover, by using LatA, we could simplify the procedure with a higher birth rate of cloned mice compared with our original method.

CpG Oligodeoxynucleotides Enhance the Efficacy of Adoptive Cell Transfer Using Tumor Infiltrating Lymphocytes by Modifying the Th1 Polarization and Local Infiltration of Th17 Cells

PubMed Central

Xu, Lin; Wang, Chunhong; Wen, Zhenke; Zhou, Ya; Liu, Zhongmin; Liang, Yongjie; Xu, Zengguang; Ren, Tao

2010-01-01

Adoptive cell transfer immunotherapy using tumor infiltrating lymphocytes (TILs) was an important therapeutic strategy against tumors. But the efficacy remains limited and development of new strategies is urgent. Recent evidence suggested that CpG-ODNs might be a potent candidate for tumor immunotherapy. Here we firstly reported that CpG-ODNs could significantly enhance the antitumor efficacy of adoptively transferred TILs in vivo accompanied by enhanced activity capacity and proliferation of CD8+ T cells and CD8+ T cells, as well as a Th1 polarization immune response. Most importantly, we found that CpG-ODNs could significantly elevate the infiltration of Th17 cells in tumor mass, which contributed to anti-tumor efficacy of TILs in vivo. Our findings suggested that CpG ODNs could enhance the anti-tumor efficacy of adoptively transferred TILs through modifying Th1 polarization and local infiltration of Th17 cells, which might provide a clue for developing a new strategy for ACT based on TILs. PMID:20981279

Influence of 13C isotopic labeling location of 13C DNP of acetate using TEMPO free radical

NASA Astrophysics Data System (ADS)

Parish, Christopher; Niedbalski, Peter; Lumata, Lloyd

2015-03-01

Dynamic nuclear polarization (DNP) via the dissolution method enhances the liquid-state magnetic resonance (NMR or MRI) signals of insensitive nuclear spins by at least 10,000-fold. The basis for all these signal enhancements at room temperature is the polarization transfer from the electrons to nuclear spins at cryogenic temperature and high magnetic field. In this work, we have studied the influence of the location of 13C isotopic labeling on the DNP of sodium acetate at 3.35 T and 1.4 K using a wide ESR linewidth free radical 4-oxo-TEMPO. The carbonyl [1-13C]acetate spins produced a polarization level that is almost twice that of the methyl [2-13C]acetate spins. On the other hand, the polarization of the methyl 13C spins doubled to reach the level of [1-13C]acetate when the methyl group was deuterated. Meanwhile, the solid-state nuclear relaxation of these samples are the same and do not correlate with the polarization levels. These behavior implies that the nuclear relaxation for these samples is dominated by the contribution from the free radicals and the polarization levels can be explained by a thermodynamic picture of DNP.

Investigation of geminate recombination of radical ion pairs generated by dissociation of exciplexes in moderately polar solvents using the photoconductivity technique

NASA Astrophysics Data System (ADS)

Lukin, Leonid V.

2009-06-01

A new approach to determination of the recombination rate of radical ion pairs in moderately polar solvents is presented. It is based on an investigation of transient photocurrents caused by dissociation of exciplexes generated in photoinduced electron transfer reactions. It has been shown that the recombination rate of geminate ion pairs can be found from the photocurrent rise time. We have applied such an approach to transient photocurrents observed by Hirata et al. [Y. Hirata, Y. Kanda, N. Mataga, J. Phys. Chem. 87 (1983) 1659] for the pyrene/dicyanobenzene system in solvents of moderate polarity. The increase of the obtained recombination rate of photogenerated ions with increasing polarity of solvent testifies that ions recombine mainly by the backward electron transfer from the dicyanobenzene anions to solvent-separated cations of pyrene.

Radiative transfer through terrestrial atmosphere and ocean: Software package SCIATRAN

NASA Astrophysics Data System (ADS)

Rozanov, V. V.; Rozanov, A. V.; Kokhanovsky, A. A.; Burrows, J. P.

2014-01-01

SCIATRAN is a comprehensive software package for the modeling of radiative transfer processes in the terrestrial atmosphere and ocean in the spectral range from the ultraviolet to the thermal infrared (0.18 - 40 μm) including multiple scattering processes, polarization, thermal emission and ocean-atmosphere coupling. The software is capable of modeling spectral and angular distributions of the intensity or the Stokes vector of the transmitted, scattered, reflected, and emitted radiation assuming either a plane-parallel or a spherical atmosphere. Simulations are done either in the scalar or in the vector mode (i.e. accounting for the polarization) for observations by space-, air-, ship- and balloon-borne, ground-based, and underwater instruments in various viewing geometries (nadir, off-nadir, limb, occultation, zenith-sky, off-axis). All significant radiative transfer processes are accounted for. These are, e.g. the Rayleigh scattering, scattering by aerosol and cloud particles, absorption by gaseous components, and bidirectional reflection by an underlying surface including Fresnel reflection from a flat or roughened ocean surface. The software package contains several radiative transfer solvers including finite difference and discrete-ordinate techniques, an extensive database, and a specific module for solving inverse problems. In contrast to many other radiative transfer codes, SCIATRAN incorporates an efficient approach to calculate the so-called Jacobians, i.e. derivatives of the intensity with respect to various atmospheric and surface parameters. In this paper we discuss numerical methods used in SCIATRAN to solve the scalar and vector radiative transfer equation, describe databases of atmospheric, oceanic, and surface parameters incorporated in SCIATRAN, and demonstrate how to solve some selected radiative transfer problems using the SCIATRAN package. During the last decades, a lot of studies have been published demonstrating that SCIATRAN is a valuable tool for a wide range of remote sensing applications. Here, we present some selected comparisons of SCIATRAN simulations to published benchmark results, independent radiative transfer models, and various measurements from satellite, ground-based, and ship instruments. Methods for solving inverse problems related to remote sensing of the Earth's atmosphere using the SCIATRAN software are outside the scope of this study and will be discussed in a follow-up paper. The SCIATRAN software package along with a detailed User's Guide is freely available for non-commercial use via the webpage of the Institute of Environmental Physics (IUP), University of Bremen: http://www.iup.physik.uni-bremen.de/sciatran.

Estimation of land-atmosphere energy transfer over the Tibetan Plateau by a combination use of geostationary and polar-orbiting satellite data

NASA Astrophysics Data System (ADS)

Zhong, L.; Ma, Y.

2017-12-01

Land-atmosphere energy transfer is of great importance in land-atmosphere interactions and atmospheric boundary layer processes over the Tibetan Plateau (TP). The energy fluxes have high temporal variability, especially in their diurnal cycle, which cannot be acquired by polar-orbiting satellites alone because of their low temporal resolution. Therefore, it's of great practical significance to retrieve land surface heat fluxes by a combination use of geostationary and polar orbiting satellites. In this study, a time series of the hourly LST was estimated from thermal infrared data acquired by the Chinese geostationary satellite FengYun 2C (FY-2C) over the TP. The split window algorithm (SWA) was optimized using a regression method based on the observations from the Enhanced Observing Period (CEOP) of the Asia-Australia Monsoon Project (CAMP) on the Tibetan Plateau (CAMP/Tibet) and Tibetan observation and research platform (TORP), the land surface emissivity (LSE) from the Moderate Resolution Imaging Spectroradiometer (MODIS), and the water vapor content from the National Centers for Environmental Prediction (NCEP) Climate Forecast System Reanalysis (CFSR) project. The 10-day composite hourly LST data were generated via the maximum value composite (MVC) method to reduce the cloud effects. The derived LST was validated by the field observations of CAMP/Tibet and TORP. The results show that the retrieved LST and in situ data have a very good correlation (with root mean square error (RMSE), mean bias (MB), mean absolute error (MAE) and correlation coefficient (R) values of 1.99 K, 0.83 K, 1.71 K, and 0.991, respectively). Together with other characteristic parameters derived from polar-orbiting satellites and meteorological forcing data, the energy balance budgets have been retrieved finally. The validation results showed there was a good consistency between estimation results and in-situ measurements over the TP, which prove the robustness of the proposed estimation methodology.

Plasmonic non-concentric nanorings array as an unidirectional nano-optical conveyor belt actuated by polarization rotation.

PubMed

Jiang, Min; Wang, Guanghui; Jiao, Wenxiang; Ying, Zhoufeng; Zou, Ningmu; Ho, Ho-Pui; Sun, Tianyu; Zhang, Xuping

2017-01-15

We report a nano-optical conveyor belt containing an array of gold plasmonic non-concentric nanorings (PNNRs) for the realization of trapping and unidirectional transportation of nanoparticles through rotating the polarization of an excitation beam. The location of hot spots within an asymmetric plasmonic nanostructure is polarization dependent, thus making it possible to manipulate a trapped target by rotating the incident polarization state. In the case of PNNR, the two poles have highly unbalanced trap potential. This greatly enhances the chance of transferring trapped particles between adjacent PNNRs in a given direction through rotating the polarization. As confirmed by three-dimensional finite-difference time-domain analysis, an array of PNNRs forms an unidirectional nano-optical conveyor belt, which delivers target nanoparticles or biomolecules over a long distance with nanometer accuracy. With the capacity to trap and to transfer, our design offers a versatile scheme for conducting mechanical sample manipulation in many on-chip optofluidic applications.

Liquid-state carbon-13 hyperpolarization generated in an MRI system for fast imaging

PubMed Central

Schmidt, A. B.; Berner, S.; Schimpf, W.; Müller, C.; Lickert, T.; Schwaderlapp, N.; Knecht, S.; Skinner, J. G.; Dost, A.; Rovedo, P.; Hennig, J.; von Elverfeldt, D.; Hövener, J. -B.

2017-01-01

Hyperpolarized (HP) tracers dramatically increase the sensitivity of magnetic resonance imaging (MRI) to monitor metabolism non-invasively and in vivo. Their production, however, requires an extra polarizing device (polarizer) whose complexity, operation and cost can exceed that of an MRI system itself. Furthermore, the lifetime of HP tracers is short and some of the enhancement is lost during transfer to the application site. Here, we present the production of HP tracers in water without an external polarizer: by Synthesis Amid the Magnet Bore, A Dramatically Enhanced Nuclear Alignment (SAMBADENA) is achieved within seconds, corresponding to a hyperpolarization of ∼20%. As transfer of the tracer is no longer required, SAMBADENA may permit a higher polarization at the time of detection at a fraction of the cost and complexity of external polarizers. This development is particularly promising in light of the recently extended portfolio of biomedically relevant para-hydrogen-tracers and may lead to new diagnostic applications. PMID:28262691

Charge form factor of the neutron at low momentum transfer from the 2H-->(e-->,e'n)1H reaction.

PubMed

Geis, E; Kohl, M; Ziskin, V; Akdogan, T; Arenhövel, H; Alarcon, R; Bertozzi, W; Booth, E; Botto, T; Calarco, J; Clasie, B; Crawford, C B; DeGrush, A; Donnelly, T W; Dow, K; Farkhondeh, M; Fatemi, R; Filoti, O; Franklin, W; Gao, H; Gilad, S; Hasell, D; Karpius, P; Kolster, H; Lee, T; Maschinot, A; Matthews, J; McIlhany, K; Meitanis, N; Milner, R G; Rapaport, J; Redwine, R P; Seely, J; Shinozaki, A; Sirca, S; Sindile, A; Six, E; Smith, T; Steadman, M; Tonguc, B; Tschalaer, C; Tsentalovich, E; Turchinetz, W; Xiao, Y; Xu, W; Zhang, C; Zhou, Z; Zwart, T

2008-07-25

We report new measurements of the neutron charge form factor at low momentum transfer using quasielastic electrodisintegration of the deuteron. Longitudinally polarized electrons at an energy of 850 MeV were scattered from an isotopically pure, highly polarized deuterium gas target. The scattered electrons and coincident neutrons were measured by the Bates Large Acceptance Spectrometer Toroid (BLAST) detector. The neutron form factor ratio GEn/GMn was extracted from the beam-target vector asymmetry AedV at four-momentum transfers Q2=0.14, 0.20, 0.29, and 0.42 (GeV/c)2.

Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field

NASA Astrophysics Data System (ADS)

Jing, Zhifeng; Qi, Rui; Liu, Chengwen; Ren, Pengyu

2017-10-01

The interactions between metal ions and proteins are ubiquitous in biology. The selective binding of metal ions has a variety of regulatory functions. Therefore, there is a need to understand the mechanism of protein-ion binding. The interactions involving metal ions are complicated in nature, where short-range charge-penetration, charge transfer, polarization, and many-body effects all contribute significantly, and a quantitative description of all these interactions is lacking. In addition, it is unclear how well current polarizable force fields can capture these energy terms and whether these polarization models are good enough to describe the many-body effects. In this work, two energy decomposition methods, absolutely localized molecular orbitals and symmetry-adapted perturbation theory, were utilized to study the interactions between Mg2+/Ca2+ and model compounds for amino acids. Comparison of individual interaction components revealed that while there are significant charge-penetration and charge-transfer effects in Ca complexes, these effects can be captured by the van der Waals (vdW) term in the AMOEBA force field. The electrostatic interaction in Mg complexes is well described by AMOEBA since the charge penetration is small, but the distance-dependent polarization energy is problematic. Many-body effects were shown to be important for protein-ion binding. In the absence of many-body effects, highly charged binding pockets will be over-stabilized, and the pockets will always favor Mg and thus lose selectivity. Therefore, many-body effects must be incorporated in the force field in order to predict the structure and energetics of metalloproteins. Also, the many-body effects of charge transfer in Ca complexes were found to be non-negligible. The absorption of charge-transfer energy into the additive vdW term was a main source of error for the AMOEBA many-body interaction energies.

A semiempirical study for the ground and excited states of free-base and zinc porphyrin-fullerene dyads

NASA Technical Reports Server (NTRS)

Parusel, A. B.

2000-01-01

The ground and excited states of a covalently linked porphyrin-fullerene dyad in both its free-base and zinc forms (D. Kuciauskas et al., J. Phys. Chem. 100 (1996) 15926) have been investigated by semiempirical methods. The excited-state properties are discussed by investigation of the character of the molecular orbitals. All frontier MOs are mainly localized on either the donor or the acceptor subunit. Thus, the absorption spectra of both systems are best described as the sum of the spectra of the single components. The experimentally observed spectra are well reproduced by the theoretical computations. Both molecules undergo efficient electron transfer in polar but not in apolar solvents. This experimental finding is explained theoretically by explicitly considering solvent effects. The tenth excited state in the gas phase is of charge-separated character where an electron is transferred from the porphyrin donor to the fullerene acceptor subunit. This state is stabilized in energy in polar solvents due to its large formal dipole moment. The stabilization energy for an apolar environment such as benzene is not sufficient to lower this state to become the first excited singlet state. Thus, no electron transfer is observed, in agreement with experiment. In a polar environment such as acetonitrile, the charge-separated state becomes the S, state and electron transfer takes place, as observed experimentally. The flexible single bond connecting both the donor and acceptor subunits allows free rotation by ca. +/- 30 degrees about the optimized ground-state conformation. For the charge-separated state this optimized geometry has a maximum dipole moment. The geometry of the charge-separated state thus does not change relatively to the ground-state conformation. The electron-donating properties of porphyrin are enhanced in the zinc derivative due to a reduced porphyrin HOMO-LUMO energy gap. This yields a lower energy for the charge-separated state compared to the free-base dyad.

Mechanisms of charge transfer and redistribution in LaAlO3/SrTiO3 revealed by high-energy optical conductivity.

PubMed

Asmara, T C; Annadi, A; Santoso, I; Gogoi, P K; Kotlov, A; Omer, H M; Motapothula, M; Breese, M B H; Rübhausen, M; Venkatesan, T; Ariando; Rusydi, A

2014-04-14

In condensed matter physics the quasi two-dimensional electron gas at the interface of two different insulators, polar LaAlO3 on nonpolar SrTiO3 (LaAlO3/SrTiO3) is a spectacular and surprising observation. This phenomenon is LaAlO3 film thickness dependent and may be explained by the polarization catastrophe model, in which a charge transfer of 0.5e(-) from the LaAlO3 film into the LaAlO3/SrTiO3 interface is expected. Here we show that in conducting samples (≥ 4 unit cells of LaAlO3) there is indeed a ~0.5e(-) transfer from LaAlO3 into the LaAlO3/SrTiO3 interface by studying the optical conductivity in a broad energy range (0.5-35 eV). Surprisingly, in insulating samples (≤ 3 unit cells of LaAlO3) a redistribution of charges within the polar LaAlO3 sublayers (from AlO2 to LaO) as large as ~0.5e(-) is observed, with no charge transfer into the interface. Hence, our results reveal the different mechanisms for the polarization catastrophe compensation in insulating and conducting LaAlO3/SrTiO3 interfaces.

Modelling the light-scattering properties of a planetary-regolith analog sample

NASA Astrophysics Data System (ADS)

Vaisanen, T.; Markkanen, J.; Hadamcik, E.; Levasseur-Regourd, A. C.; Lasue, J.; Blum, J.; Penttila, A.; Muinonen, K.

2017-12-01

Solving the scattering properties of asteroid surfaces can be made cheaper, faster, and more accurate with reliable physics-based electromagnetic scattering programs for large and dense random media. Existing exact methods fail to produce solutions for such large systems and it is essential to develop approximate methods. Radiative transfer (RT) is an approximate method which works for sparse random media such as atmospheres fails when applied to dense media. In order to make the method applicable to dense media, we have developed a radiative-transfer coherent-backscattering method (RT-CB) with incoherent interactions. To show the current progress with the RT-CB, we have modeled a planetary-regolith analog sample. The analog sample is a low-density agglomerate produced by random ballistic deposition of almost equisized silicate spheres studied using the PROGRA2-surf experiment. The scattering properties were then computed with the RT-CB assuming that the silicate spheres were equisized and that there were a Gaussian particle size distribution. The results were then compared to the measured data and the intensity plot is shown below. The phase functions are normalized to unity at the 40-deg phase angle. The tentative intensity modeling shows good match with the measured data, whereas the polarization modeling shows discrepancies. In summary, the current RT-CB modeling is promising, but more work needs to be carried out, in particular, for modeling the polarization. Acknowledgments. Research supported by European Research Council with Advanced Grant No. 320773 SAEMPL, Scattering and Absorption of ElectroMagnetic waves in ParticuLate media. Computational resources provided by CSC - IT Centre for Science Ltd, Finland.

Oriented thin films of mixture of a low-bandgap polymer and a fullerene derivative prepared by friction-transfer method

NASA Astrophysics Data System (ADS)

Tanigaki, Nobutaka; Mizokuro, Toshiko; Miyadera, Tetsuhiko; Shibata, Yousei; Koganezawa, Tomoyuki

2018-02-01

We have been studying oriented thin films of polymers fabricated by the friction-transfer method, which allows the alignment of a variety of conjugated polymers into highly oriented films. In this study, we prepared oriented blend films of a mixture of a low-bandgap polymer, poly{4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b‧]dithiophene-2,6-diyl-alt-3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophene-4,6-diyl} (PTB7), and [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM), which is a promising combination for application in organic solar cells. We obtained oriented blend films of PTB7 and PC71BM by the friction-transfer method from a solid block. Polarized UV-visible spectra show that the PTB7 chains were aligned parallel to the friction direction in the blend films. Grazing-incidence X-ray diffraction (GIXD) studies with synchrotron radiation suggested that the preferred orientation of PTB7 crystallites was face-on in the blend films. The GIXD results also showed the high uniaxial orientation of PTB7 chains in blend films. Photovoltaic devices were fabricated using the friction-transferred blend films of the PTB7 and PC71BM. These bulk heterojunction devices showed better performance than planar heterojunction devices fabricated using pure friction-transferred PTB7 films.

Solar system applications of Mie theory and of radiative transfer of polarized light

NASA Technical Reports Server (NTRS)

Whitehill, L. P.

1972-01-01

A theory of the multiple scattering of polarized light is discussed using the doubling method of van de Hulst. The concept of the Stokes parameters is derived and used to develop the form of the scattering phase matrix of a single particle. The diffuse reflection and transmission matrices of a single scattering plane parallel atmosphere are expressed as a function of the phase matrix, and the symmetry properties of these matrices are examined. Four matrices are required to describe scattering and transmission. The scattering matrix that results from the addition of two identical layers is derived. Using the doubling method, the scattering and transmission matrices of layers of arbitrary optical thickness can be derived. The doubling equations are then rewritten in terms of their Fourier components. Computation time is reduced since each Fourier component doubles independently. Computation time is also reduced through the use of symmetry properties.

One-step isolation of γ-oryzanol from rice bran oil by non-aqueous hydrostatic countercurrent chromatography.

PubMed

Angelis, Apostolis; Urbain, Aurélie; Halabalaki, Maria; Aligiannis, Nektarios; Skaltsounis, Alexios-Leandros

2011-09-01

The value-added γ-oryzanol was purified in one step from crude rice bran oil (RBO) using a preparative hydrostatic countercurrent chromatography (hydrostatic CCC) method, operating in the dual mode. The fractionation was performed using a non-aqueous biphasic solvent system consisting of heptane-acetonitrile-butanol (1.8:1.4:0.7, v/v/v), leading rapidly to the target compounds. Transfer of the analytical CCC method to large-scale isolation was also carried out yielding a high quantity-high purity fraction of γ-oryzanol. In addition, a fraction of hydroxylated triterpene alcohol ferulates (polar γ-oryzanol) was clearly separated and obtained. Furthermore, a fast HPLC-APCI(±)-HRMS method was developed and applied for the identification of γ-oryzanol as well as the polar γ-oryzanol in RBO and the resulting fractions. The purity of γ-oryzanol fraction was estimated as 97% based on HPLC-APCI-HRMS analysis. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiple scattered radiation emerging from Rayleigh and continental haze layers. I - Radiance, polarization, and neutral points

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Plass, G. N.; Hitzfelder, S. J.

1976-01-01

The matrix operator method was used to calculate the polarization of radiation scattered on layers of various optical thicknesses, with results compared for Rayleigh scattering and for scattering from a continental haze. In both cases, there are neutral points arising from the zeros of the polarization of single scattered photons at scattering angles of zero and 180 degrees. The angular position of these Rayleigh-like neutral points (RNP) in the sky shows appreciable variation with the optical thickness of the scattering layer for a Rayleigh phase matrix, but only a small variation for haze L phase matrix. Another type of neutral point exists for non-Rayleigh phase functions that is associated with the zeros of the polarization for single scattering which occurs between the end points of the curve. A comparison of radiances calculated from the complete theory of radiative transfer using Stokes vectors with those obtained from the scalar theory shows that differences of the order of 23% may be obtained for Rayleigh scattering, while the largest difference found for a haze L phase function was of the order of 0.1%.

Integration of polarization-multiplexing and phase-shifting in nanometric two dimensional self-mixing measurement.

PubMed

Tao, Yufeng; Xia, Wei; Wang, Ming; Guo, Dongmei; Hao, Hui

2017-02-06

Integration of phase manipulation and polarization multiplexing was introduced to self-mixing interferometry (SMI) for high-sensitive measurement. Light polarizations were used to increase measuring path number and predict manifold merits for potential applications. Laser source was studied as a microwave-photonic resonator optically-injected by double reflected lights on a two-feedback-factor analytical model. Independent external paths exploited magnesium-oxide doped lithium niobate crystals at perpendicular polarizations to transfer interferometric phases into amplitudes of harmonics. Theoretical resolutions reached angstrom level. By integrating two techniques, this SMI outperformed the conventional single-path SMIs by simultaneous dual-targets measurement on single laser tube with high sensitivity and low speckle noise. In experimental demonstration, by nonlinear filtering method, a custom-made phase-resolved algorithm real-time figured out instantaneous two-dimensional displacements with nanometer resolution. Experimental comparisons to lock-in technique and a commercial Ploytec-5000 laser Doppler velocity meter validated this two-path SMI in micron range without optical cross-talk. Moreover, accuracy subjected to slewing rates of crystals could be flexibly adjusted.

Similarity of SABRE field dependence in chemically different substrates

NASA Astrophysics Data System (ADS)

Dücker, Eibe B.; Kuhn, Lars T.; Münnemann, Kerstin; Griesinger, Christian

2012-01-01

The Non-Hydrogenative Parahydrogen-Induced Polarization (NH-PHIP) technique, which is referred to as Signal Amplification by Reversible Exchange (SABRE), has been reported to be applicable to various substrates and catalysts. For more detailed studies, pyridine was mainly examined in the past. Here, we examined several pyrazole derivatives towards their amenability to this method using Crabtree's Catalyst, which is the polarization transfer catalyst that is best documented. Additionally, the dependence of the signal enhancement on the field strength, at which the polarization step takes place, was examined for pyridine and four different pyrazoles. To achieve this, the polarization step was performed at numerous previously determined magnetic fields in the stray field of the NMR spectrometer. The substrate dependence of the field dependence proved to be relatively small for the different pyrazoles and a strong correlation to the field dependence for pyridine was observed. Reducing the number of spins in the catalyst by deuteration leads to increased enhancement. This indicates that more work has to be invested in order to be able to reproduce the SABRE field dependence by simulations.

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

Peters, K.S.; Freilich, S.C.; Schaeffer, C.G.

Studies were initiated utilizing picosecond (ps) absorption spectroscopy, to directly monitor the dynamics of electron transfer from 1,4-diazabicyclo(2.2.2)octane (Dabco) to the excited states of benzophenone and fluorenone. These two systems were chosen because of their contrasting photochemistry. The quantum yield for photoreduction of benzophenone in polar solvents is generally greater than 0.1, while that of fluorenone is zero. In polar solvents, the proposed mechanism dictates that an electron is transferred to the excited singlet state fluorenone, which then back-transfers the electron, regenerating ground-state fluorenone and amine. Photolysis of benzophenone in the presence of an amine transfers an electron to anmore » excited triplet state, forming an ion pair that is stable relative to diffusional separation. The results of this study verify this proposal.« less

Direct Determination of Hydroxymethyl Conformations of Plant Cell Wall Cellulose Using 1H Polarization Transfer Solid-State NMR.

PubMed

Phyo, Pyae; Wang, Tuo; Yang, Yu; O'Neill, Hugh; Hong, Mei

2018-05-14

In contrast to the well-studied crystalline cellulose of microbial and animal origins, cellulose in plant cell walls is disordered due to its interactions with matrix polysaccharides. Plant cell wall (PCW) is an undisputed source of sustainable global energy; therefore, it is important to determine the molecular structure of PCW cellulose. The most reactive component of cellulose is the exocyclic hydroxymethyl group: when it adopts the tg conformation, it stabilizes intrachain and interchain hydrogen bonding, while gt and gg conformations destabilize the hydrogen-bonding network. So far, information about the hydroxymethyl conformation in cellulose has been exclusively obtained from 13 C chemical shifts of monosaccharides and oligosaccharides, which do not reflect the environment of cellulose in plant cell walls. Here, we use solid-state Nuclear Magnetic Resonance (ssNMR) spectroscopy to measure the hydroxymethyl torsion angle of cellulose in two model plants, by detecting distance-dependent polarization transfer between H4 and H6 protons in 2D 13 C- 13 C correlation spectra. We show that the interior crystalline portion of cellulose microfibrils in Brachypodium and Arabidopsis cell walls exhibits H4-H6 polarization transfer curves that are indicative of a tg conformation, whereas surface cellulose chains exhibit slower H4-H6 polarization transfer that is best fit to the gt conformation. Joint constraints by the H4-H6 polarization transfer curves and 13 C chemical shifts indicate that it is unlikely for interior cellulose to have a significant population of the gt and gg conformation mixed with the tg conformation, while surface cellulose may adopt a small percentage of the gg conformation. These results provide new constraints to the structure and matrix interactions of cellulose in plant cell walls, and represent the first direct determination of a torsion angle in an important noncrystalline carbohydrate polymer.

Attaching naphthalene derivatives onto BODIPY for generating excited triplet state and singlet oxygen: Tuning PET-based photosensitizer by electron donors

NASA Astrophysics Data System (ADS)

Zhang, Xian-Fu; Feng, Nan

2018-01-01

meso-Naphthalene substituted BODIPY compounds were prepared in a facile one pot reaction. The naphthalene functionalization of BODIPY leads up to a 5-fold increase in the formation efficiency of excited triplet state and singlet oxygen in polar solvents. Steady state and time resolved fluorescence, laser flash photolysis, and quantum chemistry methods were used to reveal the mechanism. All measured data and quantum chemical results suggest that these systems can be viewed as electron donor-acceptor (D-A) pair (BODIPY acts as the acceptor), photoinduced charge transfer (PCT) or photoinduced electron transfer (PET) occurs upon photo excitation (D-A + hν → Dδ +-Aδ -, 0 < δ ≤ 1), and the charge recombination induced the formation of triplet state (Dδ +-Aδ - → D-A (T1). These novel PCT- or PET-based photosensitizers (PSs) show different features from traditional PSs, such as the strong tunability by facile structural modification and good selectivity upon medium polarity. The new character for this type of PSs can lead to important applications in organic oxygenation reactions and photodynamic therapy of tumors.

Quantitative and simultaneous analysis of the polarity of polycrystalline ZnO seed layers and related nanowires grown by wet chemical deposition.

PubMed

Guillemin, Sophie; Parize, Romain; Carabetta, Joseph; Cantelli, Valentina; Albertini, David; Gautier, Brice; Brémond, Georges; Fong, Dillon D; Renevier, Hubert; Consonni, Vincent

2017-03-03

The polarity in ZnO nanowires is an important issue since it strongly affects surface configuration and reactivity, nucleation and growth, electro-optical properties, and nanoscale-engineering device performances. However, measuring statistically the polarity of ZnO nanowire arrays grown by chemical bath deposition and elucidating its correlation with the polarity of the underneath polycrystalline ZnO seed layer grown by the sol-gel process represents a major difficulty. To address that issue, we combine resonant x-ray diffraction (XRD) at Zn K-edge using synchrotron radiation with piezoelectric force microscopy and polarity-sensitive chemical etching to statistically investigate the polarity of more than 10 7 nano-objects both on the macroscopic and local microscopic scales, respectively. By using high temperature annealing under an argon atmosphere, it is shown that the compact, highly c-axis oriented ZnO seed layer is more than 92% Zn-polar and that only a few small O-polar ZnO grains with an amount less than 8% are formed. Correlatively, the resulting ZnO nanowires are also found to be Zn-polar, indicating that their polarity is transferred from the c-axis oriented ZnO grains acting as nucleation sites in the seed layer. These findings pave the way for the development of new strategies to form unipolar ZnO nanowire arrays as a requirement for a number of nanoscale-engineering devices like piezoelectric nanogenerators. They also highlight the great advantage of resonant XRD as a macroscopic, non-destructive method to simultaneously and statistically measure the polarity of ZnO nanowire arrays and of the underneath ZnO seed layer.

Quantitative and simultaneous analysis of the polarity of polycrystalline ZnO seed layers and related nanowires grown by wet chemical deposition

NASA Astrophysics Data System (ADS)

Guillemin, Sophie; Parize, Romain; Carabetta, Joseph; Cantelli, Valentina; Albertini, David; Gautier, Brice; Brémond, Georges; Fong, Dillon D.; Renevier, Hubert; Consonni, Vincent

2017-03-01

The polarity in ZnO nanowires is an important issue since it strongly affects surface configuration and reactivity, nucleation and growth, electro-optical properties, and nanoscale-engineering device performances. However, measuring statistically the polarity of ZnO nanowire arrays grown by chemical bath deposition and elucidating its correlation with the polarity of the underneath polycrystalline ZnO seed layer grown by the sol-gel process represents a major difficulty. To address that issue, we combine resonant x-ray diffraction (XRD) at Zn K-edge using synchrotron radiation with piezoelectric force microscopy and polarity-sensitive chemical etching to statistically investigate the polarity of more than 107 nano-objects both on the macroscopic and local microscopic scales, respectively. By using high temperature annealing under an argon atmosphere, it is shown that the compact, highly c-axis oriented ZnO seed layer is more than 92% Zn-polar and that only a few small O-polar ZnO grains with an amount less than 8% are formed. Correlatively, the resulting ZnO nanowires are also found to be Zn-polar, indicating that their polarity is transferred from the c-axis oriented ZnO grains acting as nucleation sites in the seed layer. These findings pave the way for the development of new strategies to form unipolar ZnO nanowire arrays as a requirement for a number of nanoscale-engineering devices like piezoelectric nanogenerators. They also highlight the great advantage of resonant XRD as a macroscopic, non-destructive method to simultaneously and statistically measure the polarity of ZnO nanowire arrays and of the underneath ZnO seed layer.

Quantitative and simultaneous analysis of the polarity of polycrystalline ZnO seed layers and related nanowires grown by wet chemical deposition

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

Guillemin, Sophie; Parize, Romain; Carabetta, Joseph

The polarity in ZnO nanowires is an important issue since it strongly affects surface configuration and reactivity, nucleation and growth, electro-optical properties, and nanoscaleengineering device performances. However, measuring statistically the polarity of ZnO nanowire arrays grown by chemical bath deposition and elucidating its correlation with the polarity of the underneath polycrystalline ZnO seed layer grown by the sol–gel process represents a major difficulty. To address that issue, we combine resonant x-ray diffraction (XRD) at Zn K-edge using synchrotron radiation with piezoelectric force microscopy and polarity-sensitive chemical etching to statistically investigate the polarity of more than 107 nano-objects both on themore » macroscopic and local microscopic scales, respectively. By using high temperature annealing under an argon atmosphere, it is shown that the compact, highly c-axis oriented ZnO seed layer is more than 92% Zn-polar and that only a few small O-polar ZnO grains with an amount less than 8% are formed. Correlatively, the resulting ZnO nanowires are also found to be Zn-polar, indicating that their polarity is transferred from the c-axis oriented ZnO grains acting as nucleation sites in the seed layer. These findings pave the way for the development of new strategies to form unipolar ZnO nanowire arrays as a requirement for a number of nanoscaleengineering devices like piezoelectric nanogenerators. They also highlight the great advantage of resonant XRD as a macroscopic, non-destructive method to simultaneously and statistically measure the polarity of ZnO nanowire arrays and of the underneath ZnO seed layer.« less

Conditional Bounds on Polarization Transfer

NASA Astrophysics Data System (ADS)

Nielsen, N. C.; Sorensen, O. W.

The implications of constraints on unitary transformations of spin operators with respect to the accessible regions of Liouville space are analyzed. Specifically, the effects of spin-permutation symmetry on the unitary propagators are investigated. The influence of S2 and S3 propagator symmetry on two-dimensional bounds for F z = Σ Ni=1 I iz ↔ G z = Σ Mj=1 S jz polarization transfer in IS and I 2S spin- {1}/{2} systems is examined in detail. One result is that the maximum achievable F z ↔ G z polarization transfer is not reduced by permutation symmetry among the spins. For I 2S spin systems, S3 symmetry in the unitary propagator is shown to significantly reduce the accessible region in the 2D F z-S z Liouville subspace compared to the case restricted by unitarity alone. That result is compared with transformations under symmetric dipolar and scalar J coupling as well as shift and RF interactions. An important practical implication is that the refined spin thermodynamic theory of Levitt, Suter, and Ernst ( J. Chem. Phys.84, 4243, 1986) for cross polarization in solid-state NMR does not predict experimental outcomes incompatible with constraints of unitarity and spin-permutation symmetry.

Reliable retrieval of atmospheric and aquatic parameters in coastal and inland environments from polar-orbiting and geostationary platforms: challenges and opportunities

NASA Astrophysics Data System (ADS)

Stamnes, Knut; Li, Wei; Lin, Zhenyi; Fan, Yongzhen; Chen, Nan; Gatebe, Charles; Ahn, Jae-Hyun; Kim, Wonkook; Stamnes, Jakob J.

2017-04-01

Simultaneous retrieval of aerosol and surface properties by means of inverse techniques based on a coupled atmosphere-surface radiative transfer model, neural networks, and optimal estimation can yield considerable improvements in retrieval accuracy in complex aquatic environments compared with traditional methods. Remote sensing of such environments represent specific challenges due (i) the complexity of the atmosphere and water inherent optical properties, (ii) unique bidirectional dependencies of the water-leaving radiance, and (iii) the desire to do retrievals for large solar zenith and viewing angles. We will discuss (a) how challenges related to atmospheric gaseous absorption, absorbing aerosols, and turbid waters can be addressed by using a coupled atmosphere-surface radiative transfer (forward) model in the retrieval process, (b) how the need to correct for bidirectional effects can be accommodated in a systematic and reliable manner, (c) how polarization information can be utilized, (d) how the curvature of the atmosphere can be taken into account, and (e) how neural networks and optimal estimation can be used to obtain fast yet accurate retrievals. Special emphasis will be placed on how information from existing and future sensors deployed on polar-orbiting and geostationary platforms can be obtained in a reliable and accurate manner. The need to provide uncertainty assessments and error budgets will also be discussed.

Continuous flow Overhauser dynamic nuclear polarization of water in the fringe field of a clinical magnetic resonance imaging system for authentic image contrast

PubMed Central

Lingwood, Mark D.; Siaw, Ting Ann; Sailasuta, Napapon; Ross, Brian D.; Bhattacharya, Pratip; Han, Songi

2016-01-01

We describe and demonstrate a system to generate hyperpolarized water in the 0.35 T fringe field of a clinical 1.5 T whole-body magnetic resonance imaging (MRI) magnet. Once generated, the hyperpolarized water is quickly and continuously transferred from the 0.35 T fringe to the 1.5 T center field of the same magnet for image acquisition using standard MRI equipment. The hyperpolarization is based on Overhauser dynamic nuclear polarization (DNP), which effectively and quickly transfers the higher spin polarization of free radicals to nuclear spins at ambient temperatures. We visualize the dispersion of hyperpolarized water as it flows through water-saturated systems by utilizing an observed −15 fold DNP signal enhancement with respect to the unenhanced 1H MRI signal of water at 1.5 T. The experimental DNP apparatus presented here is readily portable and can be brought to and used with any conventional unshielded MRI system. A new method of immobilizing radicals to gel beads via polyelectrolyte linker arms is described, which led to superior flow Overhauser DNP performance compared to previously presented gels. We discuss the general applicability of Overhauser DNP hyperpolarization of water and aqueous solutions in the fringe field of commercially available magnets with central fields up to 4.7 Tesla. PMID:20541445

Remote sensing of the solar photosphere: a tale of two methods

NASA Astrophysics Data System (ADS)

Viavattene, G.; Berrilli, F.; Collados Vera, M.; Del Moro, D.; Giovannelli, L.; Ruiz Cobo, B.; Zuccarello, F.

2018-01-01

Solar spectro-polarimetry is a powerful tool to investigate the physical processes occurring in the solar atmosphere. The different states of polarization and wavelengths have in fact encoded the information about the thermodynamic state of the solar plasma and the interacting magnetic field. In particular, the radiative transfer theory allows us to invert the spectro-polarimetric data to obtain the physical parameters of the different atmospheric layers and, in particular, of the photosphere. In this work, we present a comparison between two methods used to analyze spectro-polarimetric data: the classical Center of Gravity method in the weak field approximation and an inversion code that solves numerically the radiative transfer equation. The Center of Gravity method returns reliable values for the magnetic field and for the line-of-sight velocity in those regions where the weak field approximation is valid (field strength below 400 G), while the inversion code is able to return the stratification of many physical parameters in the layers where the spectral line used for the inversion is formed.

Microwave-Assisted Cross-Polarization of Nuclear Spin Ensembles from Optically Pumped Nitrogen-Vacancy Centers in Diamond.

PubMed

Shagieva, F; Zaiser, S; Neumann, P; Dasari, D B R; Stöhr, R; Denisenko, A; Reuter, R; Meriles, C A; Wrachtrup, J

2018-06-13

The ability to optically initialize the electronic spin of the nitrogen-vacancy (NV) center in diamond has long been considered a valuable resource to enhance the polarization of neighboring nuclei, but efficient polarization transfer to spin species outside the diamond crystal has proven challenging. Here we demonstrate variable-magnetic-field, microwave-enabled cross-polarization from the NV electronic spin to protons in a model viscous fluid in contact with the diamond surface. Further, slight changes in the cross-relaxation rate as a function of the wait time between successive repetitions of the transfer protocol suggest slower molecular dynamics near the diamond surface compared to that in bulk. This observation is consistent with present models of the microscopic structure of a fluid and can be exploited to estimate the diffusion coefficient near a solid-liquid interface, of importance in colloid science.

Multilayer solar cell waveguide structures containing metamaterials

NASA Astrophysics Data System (ADS)

Hamouche, Houria.; Shabat, Mohammed. M.; Schaadt, Daniel M.

2017-01-01

Multilayer antireflection coating structures made from silicon and metamaterials are designed and investigated using the Transfer Matrix Method (TMM). The Transfer Matrix Method is a very useful algorithm for the analysis of periodic structures. We investigate in this paper two anti-reflection coating structures for silicon solar cells with a metamaterial film layer. In the first structure, the metamaterial film layer is sandwiched between a semi-infinite glass cover layer and a semi-infinite silicon substrate layer. The second structure consists of a four layers, a pair of metamaterial-dielectric layer with opposite real part of refractive indices, is placed between the two semi-infinite cover and substrate. We have simulated the absorptivity property of the structures for adjustable thicknesses by using MAPLE software. The absorptivity of the structures achieves greater than 80% for incident electromagnetic wave of transverse magnetic (TM) polarization.

Nonlinear Magnetic Dynamics and The Switching Phase Diagrams in Spintronic Devices

NASA Astrophysics Data System (ADS)

Yan, Shu

Spin-transfer torque induced magnetic switching, by which the spin-polarized current transfers its magnetic moment to the ferromagnetic layer and changes its magnetization, holds great promise towards faster and smaller magnetic bits in data-storage applications due to the lower power consumption and better scalability. We propose an analytic approach which can be used to calculate the switching phase diagram of a nanomagnetic system in the presence of both magnetic field and spin-transfer torque in an exact fashion. This method is applied to the study of switching conditions for the uniaxial, single domain magnetic layers in different spin-transfer devices. In a spin valve with spin polarization collinear with the easy axis, we get a modified Stoner-Wohlfarth astroid which represents many of the features that have been found in experiment. It also shows a self-crossing boundary and demonstrates a region with three stable equilibria. We demonstrate that the region of stable equilibria with energy near the maximum can be reached only through a narrow bottleneck in the field space, which sets a stringent requirement for magnetic field alignment in the experiments. Switching diagrams are then calculated for the setups with magnetic field not perfectly aligned with the easy axis. In a ferromagnet-heavy-metal bilayer device with strong spin Hall effect, the in plane current becomes spin-polarized and transfers its magnetic moment to the ferromagnetic layer by diffusion. The three-dimensional asymmetric phase diagram is calculated. In the case that the external field is confined in the vertical plane defined by the direction of the current and the easy axis, the spin-transfer torque shifts the conventional in-plane (IP) equilibria within the same plane, and also creates two out-of-plane (OOP) equilibria, one of which can be stable. The threshold switching currents for IP switching and OOP switching are discussed. We also address the magnetic switching processes. Damping switching and precessional switching are two different switching types that are typically considered in recent studies. In the damping mode the switching is slow and heavily depends on the initial deviation, while in the precessional mode the accurate manipulation of the field or current pulse is required. We propose a switching scenario for a fast and reliable switching by taking advantage of the out-of-plane stable equilibrium in the SHE induced magnetic switching. The magnetization is first driven by a pulse of field and current towards the OOP equilibrium without precession. Since it is in the lower half of the unit sphere, no backwards pulse is required for a complete switching. This indicates a potentially feasible method of reliable ultra-fast magnetic control.

Atomic charge transfer-counter polarization effects determine infrared CH intensities of hydrocarbons: a quantum theory of atoms in molecules model.

PubMed

Silva, Arnaldo F; Richter, Wagner E; Meneses, Helen G C; Bruns, Roy E

2014-11-14

Atomic charge transfer-counter polarization effects determine most of the infrared fundamental CH intensities of simple hydrocarbons, methane, ethylene, ethane, propyne, cyclopropane and allene. The quantum theory of atoms in molecules/charge-charge flux-dipole flux model predicted the values of 30 CH intensities ranging from 0 to 123 km mol(-1) with a root mean square (rms) error of only 4.2 km mol(-1) without including a specific equilibrium atomic charge term. Sums of the contributions from terms involving charge flux and/or dipole flux averaged 20.3 km mol(-1), about ten times larger than the average charge contribution of 2.0 km mol(-1). The only notable exceptions are the CH stretching and bending intensities of acetylene and two of the propyne vibrations for hydrogens bound to sp hybridized carbon atoms. Calculations were carried out at four quantum levels, MP2/6-311++G(3d,3p), MP2/cc-pVTZ, QCISD/6-311++G(3d,3p) and QCISD/cc-pVTZ. The results calculated at the QCISD level are the most accurate among the four with root mean square errors of 4.7 and 5.0 km mol(-1) for the 6-311++G(3d,3p) and cc-pVTZ basis sets. These values are close to the estimated aggregate experimental error of the hydrocarbon intensities, 4.0 km mol(-1). The atomic charge transfer-counter polarization effect is much larger than the charge effect for the results of all four quantum levels. Charge transfer-counter polarization effects are expected to also be important in vibrations of more polar molecules for which equilibrium charge contributions can be large.

Quantum mechanical theory of dynamic nuclear polarization in solid dielectrics.

PubMed

Hu, Kan-Nian; Debelouchina, Galia T; Smith, Albert A; Griffin, Robert G

2011-03-28

Microwave driven dynamic nuclear polarization (DNP) is a process in which the large polarization present in an electron spin reservoir is transferred to nuclei, thereby enhancing NMR signal intensities. In solid dielectrics there are three mechanisms that mediate this transfer--the solid effect (SE), the cross effect (CE), and thermal mixing (TM). Historically these mechanisms have been discussed theoretically using thermodynamic parameters and average spin interactions. However, the SE and the CE can also be modeled quantum mechanically with a system consisting of a small number of spins and the results provide a foundation for the calculations involving TM. In the case of the SE, a single electron-nuclear spin pair is sufficient to explain the polarization mechanism, while the CE requires participation of two electrons and a nuclear spin, and can be used to understand the improved DNP enhancements observed using biradical polarizing agents. Calculations establish the relations among the electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) frequencies and the microwave irradiation frequency that must be satisfied for polarization transfer via the SE or the CE. In particular, if δ, Δ < ω(0I), where δ and Δ are the homogeneous linewidth and inhomogeneous breadth of the EPR spectrum, respectively, we verify that the SE occurs when ω(M) = ω(0S) ± ω(0I), where ω(M), ω(0S) and ω(0I) are, respectively, the microwave, and the EPR and NMR frequencies. Alternatively, when Δ > ω(0I) > δ, the CE dominates the polarization transfer. This two-electron process is optimized when ω(0S(1))-ω(0S(2)) = ω(0I) and ω(M)~ω(0S(1)) or ω(0S(2)), where ω(0S(1)) and ω(0S(2)) are the EPR Larmor frequencies of the two electrons. Using these matching conditions, we calculate the evolution of the density operator from electron Zeeman order to nuclear Zeeman order for both the SE and the CE. The results provide insights into the influence of the microwave irradiation field, the external magnetic field, and the electron-electron and electron-nuclear interactions on DNP enhancements.

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.

Imaging and modeling of collagen architecture in living tissue with polarized light transfer (Conference Presentation)

NASA Astrophysics Data System (ADS)

Ramella-Roman, Jessica C.; Stoff, Susan; Chue-Sang, Joseph; Bai, Yuqiang

2016-03-01

The extra-cellular space in connective tissue of animals and humans alike is comprised in large part of collagen. Monitoring of collagen arrangement and cross-linking has been utilized to diagnose a variety of medical conditions and guide surgical intervention. For example, collagen monitoring is useful in the assessment and treatment of cervical cancer, skin cancer, myocardial infarction, and non-arteritic anterior ischemic optic neuropathy. We have developed a suite of tools and models based on polarized light transfer for the assessment of collagen presence, cross-linking, and orientation in living tissue. Here we will present some example of such approach applied to the human cervix. We will illustrate a novel Mueller Matrix (MM) imaging system for the study of cervical tissue; furthermore we will show how our model of polarized light transfer through cervical tissue compares to the experimental findings. Finally we will show validation of the methodology through histological results and Second Harmonic imaging microscopy.

Localized electron transfer rates and microelectrode-based enrichment of microbial communities within a phototrophic microbial mat.

PubMed

Babauta, Jerome T; Atci, Erhan; Ha, Phuc T; Lindemann, Stephen R; Ewing, Timothy; Call, Douglas R; Fredrickson, James K; Beyenal, Haluk

2014-01-01

Phototrophic microbial mats frequently exhibit sharp, light-dependent redox gradients that regulate microbial respiration on specific electron acceptors as a function of depth. In this work, a benthic phototrophic microbial mat from Hot Lake, a hypersaline, epsomitic lake located near Oroville in north-central Washington, was used to develop a microscale electrochemical method to study local electron transfer processes within the mat. To characterize the physicochemical variables influencing electron transfer, we initially quantified redox potential, pH, and dissolved oxygen gradients by depth in the mat under photic and aphotic conditions. We further demonstrated that power output of a mat fuel cell was light-dependent. To study local electron transfer processes, we deployed a microscale electrode (microelectrode) with tip size ~20 μm. To enrich a subset of microorganisms capable of interacting with the microelectrode, we anodically polarized the microelectrode at depth in the mat. Subsequently, to characterize the microelectrode-associated community and compare it to the neighboring mat community, we performed amplicon sequencing of the V1-V3 region of the 16S gene. Differences in Bray-Curtis beta diversity, illustrated by large changes in relative abundance at the phylum level, suggested successful enrichment of specific mat community members on the microelectrode surface. The microelectrode-associated community exhibited substantially reduced alpha diversity and elevated relative abundances of Prosthecochloris, Loktanella, Catellibacterium, other unclassified members of Rhodobacteraceae, Thiomicrospira, and Limnobacter, compared with the community at an equivalent depth in the mat. Our results suggest that local electron transfer to an anodically polarized microelectrode selected for a specific microbial population, with substantially more abundance and diversity of sulfur-oxidizing phylotypes compared with the neighboring mat community.

Localized electron transfer rates and microelectrode-based enrichment of microbial communities within a phototrophic microbial mat

PubMed Central

Babauta, Jerome T.; Atci, Erhan; Ha, Phuc T.; Lindemann, Stephen R.; Ewing, Timothy; Call, Douglas R.; Fredrickson, James K.; Beyenal, Haluk

2014-01-01

Phototrophic microbial mats frequently exhibit sharp, light-dependent redox gradients that regulate microbial respiration on specific electron acceptors as a function of depth. In this work, a benthic phototrophic microbial mat from Hot Lake, a hypersaline, epsomitic lake located near Oroville in north-central Washington, was used to develop a microscale electrochemical method to study local electron transfer processes within the mat. To characterize the physicochemical variables influencing electron transfer, we initially quantified redox potential, pH, and dissolved oxygen gradients by depth in the mat under photic and aphotic conditions. We further demonstrated that power output of a mat fuel cell was light-dependent. To study local electron transfer processes, we deployed a microscale electrode (microelectrode) with tip size ~20 μm. To enrich a subset of microorganisms capable of interacting with the microelectrode, we anodically polarized the microelectrode at depth in the mat. Subsequently, to characterize the microelectrode-associated community and compare it to the neighboring mat community, we performed amplicon sequencing of the V1–V3 region of the 16S gene. Differences in Bray-Curtis beta diversity, illustrated by large changes in relative abundance at the phylum level, suggested successful enrichment of specific mat community members on the microelectrode surface. The microelectrode-associated community exhibited substantially reduced alpha diversity and elevated relative abundances of Prosthecochloris, Loktanella, Catellibacterium, other unclassified members of Rhodobacteraceae, Thiomicrospira, and Limnobacter, compared with the community at an equivalent depth in the mat. Our results suggest that local electron transfer to an anodically polarized microelectrode selected for a specific microbial population, with substantially more abundance and diversity of sulfur-oxidizing phylotypes compared with the neighboring mat community. PMID:24478768

Localized electron transfer rates and microelectrode-based enrichment of microbial communities within a phototrophic microbial mat

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

Babauta, Jerome T.; Atci, Erhan; Ha, Phuc T.

2014-01-01

Phototrophic microbial mats frequently exhibit sharp, light-dependent redox gradients that regulate microbial respiration on specific electron acceptors as a function of depth. In this work, a benthic phototrophic microbial mat from Hot Lake, a hypersaline, epsomitic lake located near Oroville in north-central Washington, was used to develop a microscale electrochemical method to study local electron transfer processes within the mat. To characterize the physicochemical variables influencing electron transfer, we initially quantified redox potential, pH, and dissolved oxygen gradients by depth in the mat under photic and aphotic conditions. We further demonstrated that power output of a mat fuel cell wasmore » light-dependent. To study local electron transfer processes, we deployed a microscale electrode (microelectrode) with tip size ~20 μm. To enrich a subset of microorganisms capable of interacting with the microelectrode, we anodically polarized the microelectrode at depth in the mat. Subsequently, to characterize the microelectrode- associated community and compare it to the neighboring mat community, we performed amplicon sequencing of the V1-V3 region of the 16S gene. Differences in Bray-Curtis beta diversity, illustrated by large changes in relative abundance at the phylum level, suggested successful enrichment of specific mat community members on the microelectrode surface. The microelectrode-associated community exhibited substantially reduced alpha diversity and elevated relative abundances of Prosthecochloris, Loktanella, Catellibacterium, other unclassified members of Rhodobacteraceae, Thiomicrospira, and Limnobacter, compared with the community at an equivalent depth in the mat. Our results suggest that local electron transfer to an anodically polarized microelectrode selected for a specific microbial population, with substantially more abundance and diversity of sulfur-oxidizing phylotypes compared with the neighboring mat community.« less

Polarization as a probe of dusty environments around Type Ia supernovae: radiative transfer models for SN 2012dn

NASA Astrophysics Data System (ADS)

Nagao, Takashi; Maeda, Keiichi; Yamanaka, Masayuki

2018-06-01

The geometry of the circumstellar (CS) medium around supernovae (SNe) provides important diagnostics to understand the nature of their progenitors. In this article, the properties of CS dust around SN 2012dn, a super-Chandrasekhar candidate Type Ia supernova (SC-SN), have been studied through detailed three-dimensional radiation transfer simulations. Using the detected near-infrared excess from SN 2012dn, we show that it has a disc-like dusty CS environment, the mass of which is roughly consistent with a branch of an accreting white dwarf system (the single degenerate scenario). We show that a similar system should produce polarization signals up to ˜8 per cent in the B band, depending on the viewing direction if polarimetric observations are performed. We predict that maximum polarization is reached around ˜60 d after the B-band maximum. We show that the temporal and wavelength dependence of the polarization signals, together with other unique features, can be easily distinguished from the interstellar polarization and intrinsic SN polarization. Indeed, the small polarization degree observed for normal Type Ia SNe (SNe Ia) can constrain a parameter space in CS dust mass and distribution. We thus encourage multi-band polarimetric observations for SNe Ia, especially for outliers including SC-SNe, for which some arguments for the single degenerate scenario exist but polarization data are very rare so far.

Super-Eddington radiation transfer in soft gamma repeaters

NASA Technical Reports Server (NTRS)

Ulmer, Andrew

1994-01-01

Bursts from soft gamma repeaters (SGRs) have been shown to be super-Eddington by a factor of 1000 and have been persuasively associated with compact objects. Super-Eddington radiation transfer on the surface of a strongly magnetic (greater than or equal to 10(exp 13) G) neutron star is studied and related to the observational constraints on SGRs. In strong magnetic fields, Thompson scattering is suppressed in one polarization state, so super-Eddington fluxes can be radiated while the plasma remains in hydrostatic equilibrium. We discuss a model which offers a somewhat natural explanation for the observation that the energy spectra of bursts with varying intensity are similar. The radiation produced is found to be linearly polarized to one part in 1000 in a direction determined by the local magnetic field, and intensity variations between bursts are understood as a change in the radiating area on the source. The net polarization is inversely correlated with burst intensity. Further, it is shown that for radiation transfer calculations in limit of superstrong magnetic fields, it is sufficient to solve the radiation transfer for the low opacity state rather than the coupled equations for both. With this approximation, standard stellar atmosphere techniques are utilized to calculate the model energy spectrum.

Field-current phase diagrams of in-plane spin transfer torque memory cells with low effective magnetization storage layers

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

San Emeterio Alvarez, L.; Lacoste, B.; Rodmacq, B.

2014-05-07

Field-current phase diagrams were measured on in-plane anisotropy Co{sub 60}Fe{sub 20}B{sub 20} magnetic tunnel junctions to obtain the spin transfer torque (STT) field-current switching window. These measurements were used to characterise junctions with varying free layer thicknesses from 2.5 down to 1.1 nm having a reduced effective demagnetizing field due to the perpendicular magnetic anisotropy at CoFeB/MgO interface. Diagrams were obtained with 100 ns current pulses, of either same or alternating polarity. When consecutive pulses have the same polarity, it is possible to realize the STT switching even for conditions having a low switching probability. This was evidenced in diagrams with consecutivemore » pulses of alternating polarity, with 100% switching obtained at 4.7 MA/cm{sup 2}, compared to the lower 3.4 MA/cm{sup 2} value for same polarity pulses. Although the low level of the current density window is higher in alternating polarity diagrams, the field window in both diagrams is the same and therefore independent of the pulse polarity sequence.« less

3-D Forward modeling of Induced Polarization Effects of Transient Electromagnetic Method

NASA Astrophysics Data System (ADS)

Wu, Y.; Ji, Y.; Guan, S.; Li, D.; Wang, A.

2017-12-01

In transient electromagnetic (TEM) detection, Induced polarization (IP) effects are so important that they cannot be ignored. The authors simulate the three-dimensional (3-D) induced polarization effects in time-domain directly by applying the finite-difference time-domain method (FDTD) based on Cole-Cole model. Due to the frequency dispersion characteristics of the electrical conductivity, the computations of convolution in the generalized Ohm's law of fractional order system makes the forward modeling particularly complicated. Firstly, we propose a method to approximate the fractional order function of Cole-Cole model using a lower order rational transfer function based on error minimum theory in the frequency domain. In this section, two auxiliary variables are introduced to transform nonlinear least square fitting problem of the fractional order system into a linear programming problem, thus avoiding having to solve a system of equations and nonlinear problems. Secondly, the time-domain expression of Cole-Cole model is obtained by using Inverse Laplace transform. Then, for the calculation of Ohm's law, we propose an e-index auxiliary equation of conductivity to transform the convolution to non-convolution integral; in this section, the trapezoid rule is applied to compute the integral. We then substitute the recursion equation into Maxwell's equations to derive the iterative equations of electromagnetic field using the FDTD method. Finally, we finish the stimulation of 3-D model and evaluate polarization parameters. The results are compared with those obtained from the digital filtering solution of the analytical equation in the homogeneous half space, as well as with the 3-D model results from the auxiliary ordinary differential equation method (ADE). Good agreements are obtained across the three methods. In terms of the 3-D model, the proposed method has higher efficiency and lower memory requirements as execution times and memory usage were reduced by 20% compared with ADE method.

Arabidopsis thalianafrom Polarization Transfer Solid-State NMR

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

White, Paul B; Wang, Tuo; Park, Yong Bum

2014-07-23

Polysaccharide-rich plant cell walls are hydrated under functional conditions, but the molecular interactions between water and polysaccharides in the wall have not been investigated. In this work, we employ polarization transfer solid-state NMR techniques to study the hydration of primary-wall polysaccharides of the model plant, Arabidopsis thaliana. By transferring water 1H polarization to polysaccharides through distance- and mobility-dependent 1H–1H dipolar couplings and detecting it through polysaccharide 13C signals, we obtain information about water proximity to cellulose, hemicellulose, and pectins as well as water mobility. Both intact and partially extracted cell wall samples are studied. Our results show that water–pectin polarizationmore » transfer is much faster than water–cellulose polarization transfer in all samples, but the extent of extraction has a profound impact on the water–polysaccharide spin diffusion. Removal of calcium ions and the consequent extraction of homogalacturonan (HG) significantly slowed down spin diffusion, while further extraction of matrix polysaccharides restored the spin diffusion rate. These trends are observed in cell walls with similar water content, thus they reflect inherent differences in the mobility and spatial distribution of water. Combined with quantitative analysis of the polysaccharide contents, our results indicate that calcium ions and HG gelation increase the amount of bound water, which facilitates spin diffusion, while calcium removal disrupts the gel and gives rise to highly dynamic water, which slows down spin diffusion. The recovery of spin diffusion rates after more extensive extraction is attributed to increased water-exposed surface areas of the polysaccharides. Water–pectin spin diffusion precedes water–cellulose spin diffusion, lending support to the single-network model of plant primary walls in which a substantial fraction of the cellulose surface is surrounded by pectins.« less

Maximum entropy analysis of polarized fluorescence decay of (E)GFP in aqueous solution

NASA Astrophysics Data System (ADS)

Novikov, Eugene G.; Skakun, Victor V.; Borst, Jan Willem; Visser, Antonie J. W. G.

2018-01-01

The maximum entropy method (MEM) was used for the analysis of polarized fluorescence decays of enhanced green fluorescent protein (EGFP) in buffered water/glycerol mixtures, obtained with time-correlated single-photon counting (Visser et al 2016 Methods Appl. Fluoresc. 4 035002). To this end, we used a general-purpose software module of MEM that was earlier developed to analyze (complex) laser photolysis kinetics of ligand rebinding reactions in oxygen binding proteins. We demonstrate that the MEM software provides reliable results and is easy to use for the analysis of both total fluorescence decay and fluorescence anisotropy decay of aqueous solutions of EGFP. The rotational correlation times of EGFP in water/glycerol mixtures, obtained by MEM as maxima of the correlation-time distributions, are identical to the single correlation times determined by global analysis of parallel and perpendicular polarized decay components. The MEM software is also able to determine homo-FRET in another dimeric GFP, for which the transfer correlation time is an order of magnitude shorter than the rotational correlation time. One important advantage utilizing MEM analysis is that no initial guesses of parameters are required, since MEM is able to select the least correlated solution from the feasible set of solutions.

Quantitative analysis of intramolecular exciplex and electron transfer in a double-linked zinc porphyrin-fullerene dyad.

PubMed

Al-Subi, Ali Hanoon; Niemi, Marja; Tkachenko, Nikolai V; Lemmetyinen, Helge

2012-10-04

Photoinduced charge transfer in a double-linked zinc porphyrin-fullerene dyad is studied. When the dyad is excited at the absorption band of the charge-transfer complex (780 nm), an intramolecular exciplex is formed, followed by the complete charge separated (CCS) state. By analyzing the results obtained from time-resolved transient absorption and emission decay measurements in a range of solvents with different polarities, we derived a dependence between the observable lifetimes and internal parameters controlling the reaction rate constants based on the semiquantum Marcus electron-transfer theory. The critical value of the solvent polarity was found to be ε(r) ≈ 6.5: in solvents with higher dielectric constants, the energy of the CCS state is lower than that of the exciplex and the relaxation takes place via the CCS state predominantly, whereas in solvents with lower polarities the energy of the CCS state is higher and the exciplex relaxes directly to the ground state. In solvents with moderate polarities the exciplex and the CCS state are in equilibrium and cannot be separated spectroscopically. The degree of the charge shift in the exciplex relative to that in the CCS state was estimated to be 0.55 ± 0.02. The electronic coupling matrix elements for the charge recombination process and for the direct relaxation of the exciplex to the ground state were found to be 0.012 ± 0.001 and 0.245 ± 0.022 eV, respectively.

Cooling without contact in bilayer dipolar Fermi gases

NASA Astrophysics Data System (ADS)

Tanatar, Bilal; Renklioglu, Basak; Oktel, M. Ozgur

2016-05-01

We consider two parallel layers of dipolar ultracold Fermi gases at different temperatures and calculate the heat transfer between them. The effective interactions describing screening and correlation effects between the dipoles in a single layer are modelled within the Euler-Lagrange Fermi-hypernetted chain approximation. The random-phase approximation is employed for the interactions across the layers. We investigate the amount of transferred power between the layers as a function of the temperature difference. Energy transfer proceeds via the long-range dipole-dipole interactions. A simple thermal model is developed to investigate the feasibility of using the contactless sympathetic cooling of the ultracold polar atoms/molecules. Our calculations indicate that dipolar heat transfer is effective for typical polar molecule experiments and may be utilized as a cooling process. Supported by TUBA and TUBITAK (112T974).

The enhanced spin-polarized transport behaviors through cobalt benzene-porphyrin-benzene molecular junctions: the effect of functional groups

NASA Astrophysics Data System (ADS)

Cheng, Jue-Fei; Zhou, Liping; Wen, Zhongqian; Yan, Qiang; Han, Qin; Gao, Lei

2017-05-01

The modification effects of the groups amino (NH2) and nitro (NO2) on the spin polarized transport properties of the cobalt benzene-porphyrin-benzene (Co-BPB) molecule coupled to gold (Au) nanowire electrodes are investigated by the nonequilibrium Green’s function method combined with the density functional theory. The calculation results show that functional groups can lead to the significant spin-filter effect, enhanced low-bias negative differential resistance (NDR) behavior and novel reverse rectifying effect in Co-BPB molecular junction. The locations and types of functional groups have distinct influences on spin-polarized transport performances. The configuration with NH2 group substituting H atom in central porphyrin ring has larger spin-down current compared to that with NO2 substitution. And Co-BPB molecule junction with NH2 group substituting H atom in side benzene ring shows reverse rectifying effect. Detailed analyses confirm that NH2 and NO2 group substitution change the spin-polarized transferred charge, which makes the highest occupied molecular orbitals (HOMO) of spin-down channel of Co-BPB closer to the Fermi level. And the shift of HOMO strengthens the spin-polarized coupling between the molecular orbitals and the electrodes, leading to the enhanced spin-polarized behavior. Our findings might be useful in the design of multi-functional molecular devices in the future.

Efficient Synthesis of Molecular Precursors for Para-Hydrogen-Induced Polarization of Ethyl Acetate-1-(13) C and Beyond.

PubMed

Shchepin, Roman V; Barskiy, Danila A; Coffey, Aaron M; Manzanera Esteve, Isaac V; Chekmenev, Eduard Y

2016-05-10

A scalable and versatile methodology for production of vinylated carboxylic compounds with (13) C isotopic label in C1 position is described. It allowed synthesis of vinyl acetate-1-(13) C, which is a precursor for preparation of (13) C hyperpolarized ethyl acetate-1-(13) C, which provides a convenient vehicle for potential in vivo delivery of hyperpolarized acetate to probe metabolism in living organisms. Kinetics of vinyl acetate molecular hydrogenation and polarization transfer from para-hydrogen to (13) C via magnetic field cycling were investigated. Nascent proton nuclear spin polarization (%PH ) of ca. 3.3 % and carbon-13 polarization (%P13C ) of ca. 1.8 % were achieved in ethyl acetate utilizing 50 % para-hydrogen corresponding to ca. 50 % polarization transfer efficiency. The use of nearly 100% para-hydrogen and the improvements of %PH of para-hydrogen-nascent protons may enable production of (13) C hyperpolarized contrast agents with %P13C of 20-50 % in seconds using this chemistry. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Improper ferroelectric polarization in a perovskite driven by intersite charge transfer and ordering

NASA Astrophysics Data System (ADS)

Chen, Wei-Tin; Wang, Chin-Wei; Wu, Hung-Cheng; Chou, Fang-Cheng; Yang, Hung-Duen; Simonov, Arkadiy; Senn, M. S.

2018-04-01

It is of great interest to design and make materials in which ferroelectric polarization is coupled to other order parameters such as lattice, magnetic, and electronic instabilities. Such materials will be invaluable in next-generation data storage devices. Recently, remarkable progress has been made in understanding improper ferroelectric coupling mechanisms that arise from lattice and magnetic instabilities. However, although theoretically predicted, a compact lattice coupling between electronic and ferroelectric (polar) instabilities has yet to be realized. Here we report detailed crystallographic studies of a perovskite HgAMn3A'Mn4BO12 that is found to exhibit a polar ground state on account of such couplings that arise from charge and orbital ordering on both the A'- and B-sites, which are themselves driven by a highly unusual MnA '-MnB intersite charge transfer. The inherent coupling of polar, charge, orbital, and hence magnetic degrees of freedom make this a system of great fundamental interest, and demonstrating ferroelectric switching in this and a host of recently reported hybrid improper ferroelectrics remains a substantial challenge.

Dynamics of Functionalized Surface Molecular Monolayers Studied with Ultrafast Infrared Vibrational Spectroscopy

PubMed Central

Rosenfeld, Daniel E.; Nishida, Jun; Yan, Chang; Gengeliczki, Zsolt; Smith, Brian J.; Fayer, Michael D.

2012-01-01

The structural dynamics of thin films consisting of tricarbonyl (1,10-phenanthroline)rhenium chloride (RePhen(CO)3Cl) linked to an alkyl silane monolayer through a triazole linker synthesized on silica-on-calcium-fluoride substrates are investigated using ultrafast infrared (IR) techniques. Ultrafast 2D IR vibrational echo experiments and polarization selective heterodyne detected transient grating (HDTG) measurements, as well as polarization dependent FT-IR and AFM experiments are employed to study the samples. The vibrational echo experiments measure spectral diffusion, while the HDTG experiments measure the vibrational excited state population relaxation and investigate the vibrational transition dipole orientational anisotropy decay. To investigate the anticipated impact of vibrational excitation transfer, which can be caused by the high concentration of RePhen(CO)3Cl in the monolayer, a concentration dependence of the spectral diffusion is measured. To generate a range of concentrations, mixed monolayers consisting of both hydrogen terminated and triazole/RePhen(CO)3Cl terminated alkyl silanes are synthesized. It is found that the measured rate of spectral diffusion is independent of concentration, with all samples showing spectral diffusion of 37 ± 6 ps. To definitively test for vibrational excitation transfer, polarization selective HDTG experiments are conducted. Excitation transfer will cause anisotropy decay. Polarization resolved heterodyne detected transient grating spectroscopy is sensitive to anisotropy decay (depolarization) caused by excitation transfer and molecular reorientation. The HDTG experiments show no evidence of anisotropy decay on the appropriate time scale, demonstrating the absence of excitation transfer the RePhen(CO)3Cl. Therefore the influence of excitation transfer on spectral diffusion is inconsequential in these samples, and the vibrational echo measurements of spectral diffusion report solely on structural dynamics. A small amount of very fast (~2 ps time scale) anisotropy decay is observed. The decay is concentration independent, and is assigned to wobbling-in-a-cone orientational motions of the RePhen(CO)3Cl. Theoretical calculations reported previously for experiments on a single concentration of the same type of sample suggested the presence of some vibrational excitation transfer and excitation transfer induced spectral diffusion. Possible reasons for the experimentally observed lack of excitation transfer in these high concentration samples are discussed. PMID:23259027

White light generation by carbonyl based indole derivatives due to proton transfer: an efficient fluorescence sensor.

PubMed

Singla, Nidhi; Bhadram, Venkata Srinu; Narayana, Chandrabhas; Chowdhury, Papia

2013-04-04

The motivation of the present work is to understand the optical, chemical, and electrical aspects of the proton transfer mechanism of indole (I) and some carbonyl based indole derivatives: indole-3-carboxaldehyde (I3C) and indole-7-carboxaldehyde (I7C) for both powder form and their liquid solution. Structural information for indole derivatives (isolated molecule and in solution) is obtained with density functional theory (DFT) and time dependent DFT (TD-DFT) methods. Calculated transition energies are used to generate UV-vis, FTIR, Raman, and NMR spectra which are later verified with the experimental spectra. The occurrence of different conformers [cis (N(c)), trans (N(t)), and zwitterion (Z*)] have been interpreted by Mulliken charge, natural bond orbital (NBO) analysis, and polarization versus electric field (P-E loop) studies. (1)H and (13)C NMR and molecular vibrational frequencies of the fundamental modes established the stability of Nc due to the presence of intramolecular hydrogen bonding (IHB) in the ground state (S0). Computed/experimental UV-vis absorption/emission studies reveal the creation of new species: zwitterion (Z*) and anion (A*) in the excited state (S1) due to excited state intramolecular and intermolecular proton transfer (ESI(ra)PT and ESI(er)PT). Increased electrical conductivity (σ(ac)) with temperature and increased ferroelectric polarization at higher field verifies proton conduction in I7C.

Canopy polarized BRDF simulation based on non-stationary Monte Carlo 3-D vector RT modeling

NASA Astrophysics Data System (ADS)

Kallel, Abdelaziz; Gastellu-Etchegorry, Jean Philippe

2017-03-01

Vector radiative transfer (VRT) has been largely used to simulate polarized reflectance of atmosphere and ocean. However it is still not properly used to describe vegetation cover polarized reflectance. In this study, we try to propose a 3-D VRT model based on a modified Monte Carlo (MC) forward ray tracing simulation to analyze vegetation canopy reflectance. Two kinds of leaf scattering are taken into account: (i) Lambertian diffuse reflectance and transmittance and (ii) specular reflection. A new method to estimate the condition on leaf orientation to produce reflection is proposed, and its probability to occur, Pl,max, is computed. It is then shown that Pl,max is low, but when reflection happens, the corresponding radiance Stokes vector, Io, is very high. Such a phenomenon dramatically increases the MC variance and yields to an irregular reflectance distribution function. For better regularization, we propose a non-stationary MC approach that simulates reflection for each sunny leaf assuming that its orientation is randomly chosen according to its angular distribution. It is shown in this case that the average canopy reflection is proportional to Pl,max ·Io which produces a smooth distribution. Two experiments are conducted: (i) assuming leaf light polarization is only due to the Fresnel reflection and (ii) the general polarization case. In the former experiment, our results confirm that in the forward direction, canopy polarizes horizontally light. In addition, they show that in inclined forward direction, diagonal polarization can be observed. In the latter experiment, polarization is produced in all orientations. It is particularly pointed out that specular polarization explains just a part of the forward polarization. Diffuse scattering polarizes light horizontally and vertically in forward and backward directions, respectively. Weak circular polarization signal is also observed near the backscattering direction. Finally, validation of the non-polarized reflectance using the ROMC tool is done, and our model shows good agreement with the ROMC reference.

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

PubMed

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

2015-12-08

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

Analysis of self-heating of thermally assisted spin-transfer torque magnetic random access memory

DOE PAGES

Deschenes, Austin; Muneer, Sadid; Akbulut, Mustafa; ...

2016-11-11

Thermal assistance has been shown to significantly reduce the required operation power for spin torque transfer magnetic random access memory (STT-MRAM). Proposed heating methods include modified material stack compositions that result in increased self-heating or external heat sources. Here, we analyze the self-heating process of a standard perpendicular magnetic anisotropy STT-MRAM device through numerical simulations in order to understand the relative contributions of Joule, thermoelectric Peltier and Thomson, and tunneling junction heating. A 2D rotationally symmetric numerical model is used to solve the coupled electro-thermal equations including thermoelectric effects and heat absorbed or released at the tunneling junction. We comparemore » self-heating for different common passivation materials, positive and negative electrical current polarity, and different device thermal anchoring and boundaries resistance configurations. The variations considered are found to result in significant differences in maximum temperatures reached. Average increases of 3 K, 10 K, and 100 K for different passivation materials, positive and negative polarity, and different thermal anchoring configurations, respectively, are observed. Furthermore, the highest temperatures, up to 424 K, are obtained for silicon dioxide as the passivation material, positive polarity, and low thermal anchoring with thermal boundary resistance configurations. Interestingly it is also found that due to the tunneling heat, Peltier effect, device geometry, and numerous interfacial layers around the magnetic tunnel junction (MTJ), most of the heat is dissipated on the lower potential side of the magnetic junction. We have observed this asymmetry in heating and is important as thermally assisted switching requires heating of the free layer specifically and this will be significantly different for the two polarity operations, set and reset.« less

Haze and cloud distribution in Uranus' atmosphere based on high-contrast spatially resolved polarization measurements

NASA Astrophysics Data System (ADS)

Kostogryz, Nadiia; Berdyugina, Svetlana; Gisler, Daniel; Berkefeld, Thomas

2017-04-01

In planetary atmospheres, main sources of opacity are molecular absorption and scattering on molecules, hazes and aerosols. Hence, light reflected from a planetary atmosphere can be linearly polarized. Polarization study of inner solar system planets and exoplanets is a powerful method to characterize their atmospheres, because of a wide range of observable phase angles. For outer solar system planets, observable phase angles are very limited. For instance, Uranus can only be observed up to 3.2 degrees away from conjunctions, and its disk-integrated polarization is close to zero due to the back-scattering geometry. However, resolving the disk of Uranus and measuring the center-to-limb polarization can help constraining the vertical atmospheric structure and the nature of scattering aerosols and particles. In October 2016, we carried out polarization measurements of Uranus in narrow-band filters centered at methane bands and the adjacent continuum using the GREGOR Planet Polarimeter (GPP). The GPP is a high-precision polarimeter and is mounted at the 1.5-m GREGOR solar telescope, which is suitable for observing at night. In order to reach a high spatial resolution, the instrument uses an adaptive-optics system of the telescope. To interpret our measurements, we solve the polarized radiative transfer problem taking into account different scattering and absorption opacities. We calculate the center-to-limb variation of polarization of Uranus' disk in the continuum spectrum and in methane bands. By varying the vertical distribution of haze and cloud layers, we derive the vertical structure of the best-fit Uranus atmosphere.

Tunable charge transfer properties in metal-phthalocyanine heterojunctions.

PubMed

Siles, P F; Hahn, T; Salvan, G; Knupfer, M; Zhu, F; Zahn, D R T; Schmidt, O G

2016-04-28

Organic materials such as phthalocyanine-based systems present a great potential for organic device applications due to the possibility of integrating films of different organic materials to create organic heterostructures which combine the electrical capabilities of each material. This opens the possibility to precisely engineer and tune new electrical properties. In particular, similar transition metal phthalocyanines demonstrate hybridization and charge transfer properties which could lead to interesting physical phenomena. Although, when considering device dimensions, a better understanding and control of the tuning of the transport properties still remain in the focus of research. Here, by employing conductive atomic force microscopy techniques, we provide an insight about the nanoscale electrical properties and transport mechanisms of MnPc and fluorinated phthalocyanines such as F16CuPc and F16CoPc. We report a transition from typical diode-like transport mechanisms for pure MnPc thin films to space-charge-limited current transport regime (SCLC) for Pc-based heterostructures. The controlled addition of fluorinated phthalocyanine also provides highly uniform and symmetric-polarized transport characteristics with conductance enhancements up to two orders of magnitude depending on the polarization. We present a method to spatially map the mobility of the MnPc/F16CuPc structures with a nanoscale resolution and provide theoretical calculations to support our experimental findings. This well-controlled nanoscale tuning of the electrical properties for metal transition phthalocyanine junctions stands as key step for future phthalocyanine-based electronic devices, where the low dimension charge transfer, mediated by transition metal atoms could be intrinsically linked to a transfer of magnetic moment or spin.

Polarization and mass transfer during the electrolysis of molten salts with liquid metallic electrodes

NASA Astrophysics Data System (ADS)

Mikhalev, Yu. G.

2014-08-01

Calculations are used to show that the fraction of the overvoltage of the stage of discharge-ionization can be significant in the total overvoltage during the polarization of liquid metallic electrodes in molten chlorides depleted of electrochemically active particles (depending on the type of the dissipative structures that appear near the electrode/electrolyte interface). This finding is taken into account to obtain criterion equations to describe the mass-transfer rate as a function of the physicochemical properties of the electrolyte and the metal electrode.

Synchronous Measurement of Ultrafast Anisotropy Decay of the B850 in Bacterial LH2 Complex

NASA Astrophysics Data System (ADS)

Wang, Yun-Peng; Du, Lu-Chao; Zhu, Gang-Bei; Wang, Zhuan; Weng, Yu-Xiang

2015-02-01

Ultrafast anisotropic decay is a prominent parameter revealing ultrafast energy and electron transfer; however, it is difficult to be determined reliably owing to the requirement of a simultaneous availability of the parallel and perpendicular polarized decay kinetics. Nowadays, any measurement of anisotropic decay is a kind of approach to the exact simultaneity. Here we report a novel method for a synchronous ultrafast anisotropy decay measurement, which can well determine the anisotropy, even at a very early time, as the rising phase of the excitation laser pulse. The anisotropic decay of the B850 in bacterial light harvesting antenna complex LH2 of Rhodobacter sphaeroides in solution at room temperature with coherent excitation is detected by this method, which shows a polarization response time of 30 fs, and the energy transfer from the initial excitation to the bacteriochlorophylls in B850 ring takes about 70 fs. The anisotropic decay that is probed at the red side of the absorption spectrum, such as 880 nm, has an initial value of 0.4, corresponding to simulated emission, while the blue side with an anisotropy of 0.1 contributes to the ground-state bleaching. Our results show that the coherent excitation covering the whole ring might not be realized owing to the symmetry breaking of LH2: from C9 symmetry in membrane to C2 symmetry in solution.

Investigation of the antioxidant and radical scavenging activities of some phenolic Schiff bases with different free radicals.

PubMed

Marković, Zoran; Đorović, Jelena; Petrović, Zorica D; Petrović, Vladimir P; Simijonović, Dušica

2015-11-01

The antioxidant properties of some phenolic Schiff bases in the presence of different reactive particles such as (•)OH, (•)OOH, (CH2=CH-O-O(•)), and (-•)O2 were investigated. The thermodynamic values, ΔH BDE, ΔH IP, and ΔH PA, were used for this purpose. Three possible mechanisms for transfer of hydrogen atom, concerted proton-electron transfer (CPET), single electron transfer followed by proton transfer (SET-PT), and sequential proton loss electron transfer (SPLET) were considered. These mechanisms were tested in solvents of different polarity. On the basis of the obtained results it was shown that SET-PT antioxidant mechanism can be the dominant mechanism when Schiff bases react with radical cation, while SPLET and CPET are competitive mechanisms for radical scavenging of hydroxy radical in all solvents under investigation. Examined Schiff bases react with the peroxy radicals via SPLET mechanism in polar and nonpolar solvents. The superoxide radical anion reacts with these Schiff bases very slowly.

Energy gap law of electron transfer in nonpolar solvents.

PubMed

Tachiya, M; Seki, Kazuhiko

2007-09-27

We investigate the energy gap law of electron transfer in nonpolar solvents for charge separation and charge recombination reactions. In polar solvents, the reaction coordinate is given in terms of the electrostatic potentials from solvent permanent dipoles at solutes. In nonpolar solvents, the energy fluctuation due to solvent polarization is absent, but the energy of the ion pair state changes significantly with the distance between the ions as a result of the unscreened strong Coulomb potential. The electron transfer occurs when the final state energy coincides with the initial state energy. For charge separation reactions, the initial state is a neutral pair state, and its energy changes little with the distance between the reactants, whereas the final state is an ion pair state and its energy changes significantly with the mutual distance; for charge recombination reactions, vice versa. We show that the energy gap law of electron-transfer rates in nonpolar solvents significantly depends on the type of electron transfer.

Matrix operator theory of radiative transfer. I - Rayleigh scattering.

NASA Technical Reports Server (NTRS)

Plass, G. N.; Kattawar, G. W.; Catchings, F. E.

1973-01-01

An entirely rigorous method for the solution of the equations for radiative transfer based on the matrix operator theory is reviewed. The advantages of the present method are: (1) all orders of the reflection and transmission matrices are calculated at once; (2) layers of any thickness may be combined, so that a realistic model of the atmosphere can be developed from any arbitrary number of layers, each with different properties and thicknesses; (3) calculations can readily be made for large optical depths and with highly anisotropic phase functions; (4) results are obtained for any desired value of the surface albedo including the value unity and for a large number of polar and azimuthal angles; (5) all fundamental equations can be interpreted immediately in terms of the physical interactions appropriate to the problem; and (6) both upward and downward radiance can be calculated at interior points from relatively simple expressions.

Thermal radiation heat transfer in participating media by finite volume discretization using collimated beam incidence

NASA Astrophysics Data System (ADS)

Harijishnu, R.; Jayakumar, J. S.

2017-09-01

The main objective of this paper is to study the heat transfer rate of thermal radiation in participating media. For that, a generated collimated beam has been passed through a two dimensional slab model of flint glass with a refractive index 2. Both Polar and azimuthal angle have been varied to generate such a beam. The Temperature of the slab and Snells law has been validated by Radiation Transfer Equation (RTE) in OpenFOAM (Open Field Operation and Manipulation), a CFD software which is the major computational tool used in Industry and research applications where the source code is modified in which radiation heat transfer equation is added to the case and different radiation heat transfer models are utilized. This work concentrates on the numerical strategies involving both transparent and participating media. Since Radiation Transfer Equation (RTE) is difficult to solve, the purpose of this paper is to use existing solver buoyantSimlpeFoam to solve radiation model in the participating media by compiling the source code to obtain the heat transfer rate inside the slab by varying the Intensity of radiation. The Finite Volume Method (FVM) is applied to solve the Radiation Transfer Equation (RTE) governing the above said physical phenomena.

Estimation of Land Surface Temperature from GCOM-W1 AMSR2 Data over the Chinese Landmass

NASA Astrophysics Data System (ADS)

Zhou, Ji; Dai, Fengnan; Zhang, Xiaodong

2016-04-01

As one of the most important parameter at the interface between the earth's surface and atmosphere, land surface temperature (LST) plays a crucial role in many fields, such as climate change monitoring and hydrological modeling. Satellite remote sensing provides the unique possibility to observe LST of large regions at diverse spatial and temporal scales. Compared with thermal infrared (TIR) remote sensing, passive microwave (PW) remote sensing has a better ability in overcoming the influences of clouds; thus, it can be used to improve the temporal resolution of current satellite TIR LST. However, most of current methods for estimation LST from PW remote sensing are empirical and have unsatisfied generalization. In this study, a semi-empirical method is proposed to estimate LST from the observation of the Advanced Microwave Scanning Radiometer 2 (AMSR2) on board the Global Change Observation Mission 1st-WATER "SHIZUKU" satellite (GCOM-W1). The method is based on the PW radiation transfer equation, which is simplified based on (1) the linear relationship between the emissivities of horizontal and vertical polarization channels at the same frequency and (2) the significant relationship between atmospheric parameters and the atmospheric water vapor content. An iteration approach is used to best fit the pixel-based coefficients in the simplified radiation transfer equation of the horizontal and vertical polarization channels at each frequency. Then an integration approach is proposed to generate the ensemble estimation from estimations of multiple frequencies for different land cover types. This method is trained with the AMSR2 brightness temperature and MODIS LST in 2013 over the entire Chinese landmass and then it is tested with the data in 2014. Validation based on in situ LSTs measured in northwestern China demonstrates that the proposed method has a better accuracy than the polarization radiation method, with a root-mean squared error of 3 K. Although the proposal method is applied to AMSR2 data, it has good ability to extend to other satellite PW sensors, such as the Advanced Microwave Scanning Radiometer for EOS (AMSR-E) on board the Aqua satellite and the Special Sensor Microwave/Imager (SSM/I) on board the Defense Meteorological Satellite Program (DMSP) satellite. It would be beneficial in providing LST to applications at continental and global scales.

Direct enhancement of nitrogen-15 targets at high-field by fast ADAPT-SABRE

NASA Astrophysics Data System (ADS)

Roy, Soumya S.; Stevanato, Gabriele; Rayner, Peter J.; Duckett, Simon B.

2017-12-01

Signal Amplification by Reversible Exchange (SABRE) is an attractive nuclear spin hyperpolarization technique capable of huge sensitivity enhancement in nuclear magnetic resonance (NMR) detection. The resonance condition of SABRE hyperpolarization depends on coherent spin mixing, which can be achieved naturally at a low magnetic field. The optimum transfer field to spin-1/2 heteronuclei is technically demanding, as it requires field strengths weaker than the earth's magnetic field for efficient spin mixing. In this paper, we illustrate an approach to achieve strong 15N SABRE hyperpolarization at high magnetic field by a radio frequency (RF) driven coherent transfer mechanism based on alternate pulsing and delay to achieve polarization transfer. The presented scheme is found to be highly robust and much faster than existing related methods, producing ∼ 3 orders of magnitude 15N signal enhancement within 2 s of RF pulsing.

Direct enhancement of nitrogen-15 targets at high-field by fast ADAPT-SABRE.

PubMed

Roy, Soumya S; Stevanato, Gabriele; Rayner, Peter J; Duckett, Simon B

2017-12-01

Signal Amplification by Reversible Exchange (SABRE) is an attractive nuclear spin hyperpolarization technique capable of huge sensitivity enhancement in nuclear magnetic resonance (NMR) detection. The resonance condition of SABRE hyperpolarization depends on coherent spin mixing, which can be achieved naturally at a low magnetic field. The optimum transfer field to spin-1/2 heteronuclei is technically demanding, as it requires field strengths weaker than the earth's magnetic field for efficient spin mixing. In this paper, we illustrate an approach to achieve strong 15 N SABRE hyperpolarization at high magnetic field by a radio frequency (RF) driven coherent transfer mechanism based on alternate pulsing and delay to achieve polarization transfer. The presented scheme is found to be highly robust and much faster than existing related methods, producing ∼3 orders of magnitude 15 N signal enhancement within 2 s of RF pulsing. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Ice ages and geomagnetic reversals

NASA Technical Reports Server (NTRS)

Wu, Patrick

1992-01-01

There have been speculations on the relationship between climatic cooling and polarity reversals of the earth's magnetic field during the Pleistocene. Two of the common criticisms on this relationship have been the reality of these short duration geomagnetic events and the accuracy of their dates. Champion et al. (1988) have reviewed recent progress in this area. They identified a total of 10 short-duration polarity events in the last 1 Ma and 6 of these events have been found in volcanic rocks, which also have K-Ar dates. Supposing that the speculated relationship between climatic cooling and geomagnetic reversals actually exist, two mechanisms that assume climatic cooling causes short period magnetic reversals will be investigated. These two methods are core-mantle boundary topography and transfer of the rotational energy to the core.

Supramolecular networks with electron transfer in two dimensions

DOEpatents

Stupp, Samuel I.; Stoddart, J. Fraser; Shveyd, Alexander K.; Tayi, Alok S.; Sue, Chi-Hau; Narayanan, Ashwin

2016-09-13

Organic charge-transfer (CT) co-crystals in a crossed stack system are disclosed. The co-crystals exhibit bidirectional charge transfer interactions where one donor molecule shares electrons with two different acceptors, one acceptor face-to-face and the other edge-to-face. The assembly and charge transfer interaction results in a pleochroic material whereby the optical absorption continuously changes depending on the polarization angle of incident light.

Parametric dependence of ocean wave-radar modulation transfer functions

NASA Technical Reports Server (NTRS)

Plant, W. J.; Keller, W. C.; Cross, A.

1983-01-01

Microwave techniques at X and L band were used to determine the dependence of ocean-wave radar modulation transfer functions (MTFs) on various environmental and radar parameters during the Marine Remote Sensing experiment of 1979 (MARSEN 79). These MIF are presented, as are coherence functions between the AM and FM parts of the backscattered microwave signal. It is shown that they both depend on several of these parameters. Besides confirming many of the properties of transfer functions reported by previous authors, indications are found that MTFs decrease with increasing angle between wave propagation and antenna-look directions but are essentially independent of small changes in air-sea temperature difference. However, coherence functions are much smaller when the antennas are pointed perpendicular to long waves. It is found that X band transfer functions measured with horizontally polarized microwave radiation have larger magnitudes than those obtained by using vertical polarization.

Comparison of PARASOL Observations with Polarized Reflectances Simulated Using Different Ice Habit Mixtures

NASA Technical Reports Server (NTRS)

Cole, Benjamin H.; Yang, Ping; Baum, Bryan A.; Riedi, Jerome; Labonnote, Laurent C.; Thieuleux, Francois; Platnick, Steven

2012-01-01

Insufficient knowledge of the habit distribution and the degree of surface roughness of ice crystals within ice clouds is a source of uncertainty in the forward light scattering and radiative transfer simulations required in downstream applications involving these clouds. The widely used MODerate Resolution Imaging Spectroradiometer (MODIS) Collection 5 ice microphysical model assumes a mixture of various ice crystal shapes with smooth-facets except aggregates of columns for which a moderately rough condition is assumed. When compared with PARASOL (Polarization and Anisotropy of Reflectances for Atmospheric Sciences coupled with Observations from a Lidar) polarized reflection data, simulations of polarized reflectance using smooth particles show a poor fit to the measurements, whereas very rough-faceted particles provide an improved fit to the polarized reflectance. In this study a new microphysical model based on a mixture of 9 different ice crystal habits with severely roughened facets is developed. Simulated polarized reflectance using the new ice habit distribution is calculated using a vector adding-doubling radiative transfer model, and the simulations closely agree with the polarized reflectance observed by PARASOL. The new general habit mixture is also tested using a spherical albedo differences analysis, and surface roughening is found to improve the consistency of multi-angular observations. It is suggested that an ice model incorporating an ensemble of different habits with severely roughened surfaces would potentially be an adequate choice for global ice cloud retrievals.

IR spectral properties of dust and ice at the Mars south polar cap

NASA Astrophysics Data System (ADS)

Titus, T. N.; Kieffer, H. H.

2001-11-01

Removal of atmospheric dust effects is required to derive surface IR spectral emissivity. Commonly, the atmospheric-surface separation is based on radiative transfer (RT) spectral inversion methods using nadir-pointing observations. This methodology depends on a priori knowledge of the spectral shape of each atmospheric aerosol (e.g. dust or water ice) and a large thermal contrast between the surface and atmosphere. RT methods fail over the polar caps due to low thermal contrast between the atmosphere and the surface. We have used multi-angle Emission Phase Function (EPF) observations to estimate the opacity spectrum of dust over the springtime south polar cap and the underlying surface radiance, and thus, the surface emissivity. We include a few EPFs from Hellas Basin as a basis for comparisons between the spectral shape of polar and non-polar dust. Surface spectral emissivities over the seasonal cap are compared to CO2 models. Our results show that the spectral shape of the polar dust opacity is not constant, but is a two-parameter family that can be characterized by the 9 um and 20 um opacities. The 9 um opacity varies from 0.15 to 0.45 and characterizes the overall atmospheric conditions. The 9 um to 20 um opacity ratio varies from 2.0 to 5.1, suggesting changes in dust size distribution over the polar caps. Derived surface temperatures from the EPFs confirm that the slightly elevated temperatures (relative to CO2 frost temperature) observed in ``cryptic'' regions are a surface effect, not atmospheric. Comparison of broad-band reflectivity and surface emissivities to model spectra suggest the bright regions (e.g. perennial cap, Mountains of Mitchell) have higher albedos due to a thin surface layer of fine-grain CO2 (perhaps either frost or fractured ice) with an underlying layer of either coarse grain or slab CO2 ice.

Polarized electrode enhances biological direct interspecies electron transfer for methane production in upflow anaerobic bioelectrochemical reactor.

PubMed

Feng, Qing; Song, Young-Chae; Yoo, Kyuseon; Kuppanan, Nanthakumar; Subudhi, Sanjukta; Lal, Banwari

2018-08-01

The influence of polarized electrodes on the methane production, which depends on the sludge concentration, was investigated in upflow anaerobic bioelectrochemical (UABE) reactor. When the polarized electrode was placed in the bottom zone with a high sludge concentration, the methane production was 5.34 L/L.d, which was 53% higher than upflow anaerobic sludge blanket (UASB) reactor. However, the methane production was reduced to 4.34 L/L.d by placing the electrode in the upper zone of the UABE reactor with lower sludge concentration. In the UABE reactor, the methane production was mainly improved by the enhanced biological direct interspecies electron transfer (bDIET) pathway, and the methane production via the electrode was a minor fraction of less than 4% of total methane production. The polarized electrodes that placed in the bottom zone with a high sludge concentration enhance the bDIET for methane production in the UABE reactor and greatly improve the methane production. Copyright © 2018. Published by Elsevier Ltd.

Competitive photocyclization/rearrangement of 4-aryl-1,1-dicyanobutenes controlled by intramolecular charge-transfer interaction. Effect of medium polarity, temperature, pressure, excitation wavelength, and confinement.

PubMed

Ito, Tadashi; Nishiuchi, Emi; Fukuhara, Gaku; Inoue, Yoshihisa; Mori, Tadashi

2011-09-01

A series of 4-aryl-1,1-dicyanobutenes (1a-1f) with different substituents were synthesized to control the intramolecular donor-acceptor or charge-transfer (C-T) interactions in the ground state. Photoexcitation of these C-T substrates led to competitive cyclization and rearrangement, the ratio being critically controlled by various environmental factors, such as solvent polarity, temperature and static pressure, and also by excitation wavelength and supramolecular confinement (polyethylene voids). In non-polar solvents, the rearrangement was dominant (>10 : 1) for all examined substrates, while the cyclization was favoured in polar solvents, in particular at low temperatures. Selective excitation at the C-T band further enhanced the cyclization up to >50 : 1 ratios. More importantly, the cyclization/rearrangement ratio was revealed to be a linear function of the C-T transition energy. However, the substrates with a sterically demanding or highly electron-donating substituent failed to give the cyclization product.

Comparison of full-sky polarization and radiance observations to radiative transfer simulations which employ AERONET products.

PubMed

Pust, Nathan J; Dahlberg, Andrew R; Thomas, Michael J; Shaw, Joseph A

2011-09-12

Visible-band and near infrared polarization and radiance images measured with a ground-based full-sky polarimeter are compared against a successive orders of scattering (SOS) radiative transfer model for 2009 summer cloud-free days in Bozeman, Montana, USA. The polarimeter measures radiance and polarization in 10-nm bands centered at 450 nm, 490 nm, 530 nm, 630 nm, and 700 nm. AERONET products are used to represent aerosols in the SOS model, while MISR satellite BRF products are used for the surface reflectance. While model results generally agree well with observation, the simulated degree of polarization is typically higher than observed data. Potential sources of this difference may include cloud contamination and/or underestimation of the AERONET-retrieved aerosol real refractive index. Problems with the retrieved parameters are not unexpected given the low aerosol optical depth range (0.025 to 0.17 at 500 nm) during the study and the corresponding difficulties that these conditions pose to the AERONET inversion algorithm.

Sensitivity enhancement by multiple-contact cross-polarization under magic-angle spinning.

PubMed

Raya, J; Hirschinger, J

2017-08-01

Multiple-contact cross-polarization (MC-CP) is applied to powder samples of ferrocene and l-alanine under magic-angle spinning (MAS) conditions. The method is described analytically through the density matrix formalism. The combination of a two-step memory function approach and the Anderson-Weiss approximation is found to be particularly useful to derive approximate analytical solutions for single-contact Hartmann-Hahn CP (HHCP) and MC-CP dynamics under MAS. We show that the MC-CP sequence requiring no pulse-shape optimization yields higher polarizations at short contact times than optimized adiabatic passage through the HH condition CP (APHH-CP) when the MAS frequency is comparable to the heteronuclear dipolar coupling, i.e., when APHH-CP through a single sideband matching condition is impossible or difficult to perform. It is also shown that the MC-CP sideband HH conditions are generally much broader than for single-contact HHCP and that efficient polarization transfer at the centerband HH condition can be reintroduced by rotor-asynchronous multiple equilibrations-re-equilibrations with the proton spin bath. Boundary conditions for the successful use of the MC-CP experiment when relying on spin-lattice relaxation for repolarization are also examined. Copyright © 2017 Elsevier Inc. All rights reserved.

Simultaneous acquisition of 2D and 3D solid-state NMR experiments for sequential assignment of oriented membrane protein samples.

PubMed

Gopinath, T; Mote, Kaustubh R; Veglia, Gianluigi

2015-05-01

We present a new method called DAISY (Dual Acquisition orIented ssNMR spectroScopY) for the simultaneous acquisition of 2D and 3D oriented solid-state NMR experiments for membrane proteins reconstituted in mechanically or magnetically aligned lipid bilayers. DAISY utilizes dual acquisition of sine and cosine dipolar or chemical shift coherences and long living (15)N longitudinal polarization to obtain two multi-dimensional spectra, simultaneously. In these new experiments, the first acquisition gives the polarization inversion spin exchange at the magic angle (PISEMA) or heteronuclear correlation (HETCOR) spectra, the second acquisition gives PISEMA-mixing or HETCOR-mixing spectra, where the mixing element enables inter-residue correlations through (15)N-(15)N homonuclear polarization transfer. The analysis of the two 2D spectra (first and second acquisitions) enables one to distinguish (15)N-(15)N inter-residue correlations for sequential assignment of membrane proteins. DAISY can be implemented in 3D experiments that include the polarization inversion spin exchange at magic angle via I spin coherence (PISEMAI) sequence, as we show for the simultaneous acquisition of 3D PISEMAI-HETCOR and 3D PISEMAI-HETCOR-mixing experiments.

Sensitivity enhancement by multiple-contact cross-polarization under magic-angle spinning

NASA Astrophysics Data System (ADS)

Raya, J.; Hirschinger, J.

2017-08-01

Multiple-contact cross-polarization (MC-CP) is applied to powder samples of ferrocene and L-alanine under magic-angle spinning (MAS) conditions. The method is described analytically through the density matrix formalism. The combination of a two-step memory function approach and the Anderson-Weiss approximation is found to be particularly useful to derive approximate analytical solutions for single-contact Hartmann-Hahn CP (HHCP) and MC-CP dynamics under MAS. We show that the MC-CP sequence requiring no pulse-shape optimization yields higher polarizations at short contact times than optimized adiabatic passage through the HH condition CP (APHH-CP) when the MAS frequency is comparable to the heteronuclear dipolar coupling, i.e., when APHH-CP through a single sideband matching condition is impossible or difficult to perform. It is also shown that the MC-CP sideband HH conditions are generally much broader than for single-contact HHCP and that efficient polarization transfer at the centerband HH condition can be reintroduced by rotor-asynchronous multiple equilibrations-re-equilibrations with the proton spin bath. Boundary conditions for the successful use of the MC-CP experiment when relying on spin-lattice relaxation for repolarization are also examined.

Measuring absolute spin polarization in dissolution-DNP by Spin PolarimetrY Magnetic Resonance (SPY-MR)

NASA Astrophysics Data System (ADS)

Vuichoud, Basile; Milani, Jonas; Chappuis, Quentin; Bornet, Aurélien; Bodenhausen, Geoffrey; Jannin, Sami

2015-11-01

Dynamic nuclear polarization at 1.2 K and 6.7 T allows one to achieve spin temperatures on the order of a few millikelvin, so that the high-temperature approximation (Δ E < kT) is violated for the nuclear Zeeman interaction Δ E = γB0h/(2 π) of most isotopes. Provided that, after rapid dissolution and transfer to an NMR or MRI system, the hyperpolarized molecules contain at least two nuclear spins I and S with a scalar coupling JIS, the polarization of spin I (short for 'investigated') can be determined from the asymmetry AS of the multiplet of spin S (short for 'spy'), provided perturbations due to second-order (strong coupling) effects are properly taken into account. If spin S is suitably discreet and does not affect the relaxation of spin I, this provides an elegant way of measuring spin polarizations 'on the fly' in a broad range of molecules, thus obviating the need for laborious measurements of signal intensities at thermal equilibrium. The method, dubbed Spin PolarimetrY Magnetic Resonance (SPY-MR), is illustrated for various pairs of 13 C spins (I, S) in acetate and pyruvate.

Optimization of SABRE for polarization of the tuberculosis drugs pyrazinamide and isoniazid

NASA Astrophysics Data System (ADS)

Zeng, Haifeng; Xu, Jiadi; Gillen, Joseph; McMahon, Michael T.; Artemov, Dmitri; Tyburn, Jean-Max; Lohman, Joost A. B.; Mewis, Ryan E.; Atkinson, Kevin D.; Green, Gary G. R.; Duckett, Simon B.; van Zijl, Peter C. M.

2013-12-01

Hyperpolarization produces nuclear spin polarization that is several orders of magnitude larger than that achieved at thermal equilibrium thus providing extraordinary contrast and sensitivity. As a parahydrogen induced polarization (PHIP) technique that does not require chemical modification of the substrate to polarize, Signal Amplification by Reversible Exchange (SABRE) has attracted a lot of attention. Using a prototype parahydrogen polarizer, we polarize two drugs used in the treatment of tuberculosis, namely pyrazinamide and isoniazid. We examine this approach in four solvents, methanol-d4, methanol, ethanol and DMSO and optimize the polarization transfer magnetic field strength, the temperature as well as intensity and duration of hydrogen bubbling to achieve the best overall signal enhancement and hence hyperpolarization level.

Optimization of SABRE for polarization of the tuberculosis drugs pyrazinamide and isoniazid

PubMed Central

Zeng, Haifeng; Xu, Jiadi; Gillen, Joseph; McMahon, Michael T.; Artemov, Dmitri; Tyburn, Jean-Max; Lohman, Joost A.B.; Mewis, Ryan E.; Atkinson, Kevin D.; Green, Gary G.R.; Duckett, Simon B.; van Zijl, Peter C.M.

2013-01-01

Hyperpolarization produces nuclear spin polarization that is several orders of magnitude larger than that achieved at thermal equilibrium thus providing extraordinary contrast and sensitivity. As a parahydrogen induced polarization (PHIP) technique that does not require chemical modification of the substrate to polarize, Signal Amplification by Reversible Exchange (SABRE) has attracted a lot of attention. Using a prototype parahydrogen polarizer, we polarize two drugs used in the treatment of tuberculosis, namely pyrazinamide and isoniazid. We examine this approach in four solvents, methanol-d4, methanol, ethanol and DMSO and optimize the polarization transfer magnetic field strength, the temperature as well as intensity and duration of hydrogen bubbling to achieve the best overall signal enhancement and hence hyperpolarization level. PMID:24140625

The polar 2e/12c bond in phenalenyl-azaphenalenyl hetero-dimers: Stronger stacking interaction and fascinating interlayer charge transfer.

PubMed

Zhong, Rong-Lin; Xu, Hong-Liang; Li, Zhi-Ru

2016-08-07

An increasing number of chemists have focused on the two-electron/multicenter bond (2e/mc) that was first introduced to interpret the bonding mechanism of radical dimers. Herein, we report the polar two-electron/twelve center (2e/12c) bonding character in a series of phenalenyl-azaphenalenyl radical hetero-dimers. Interestingly, the bonding energy of weaker polar hetero-dimer (P-TAP) is dominated by the overlap of the two different singly occupied molecular orbital of radicals, while that of stronger polar hetero-dimer (P-HAP) is dominated by the electrostatic attraction. Results show that the difference between the electronegativity of the monomers plays a prominent role in the essential attribution of the polar 2e/12c bond. Correspondingly, a stronger stacking interaction in the hetero-dimer could be effectively achieved by increasing the difference of nitrogen atoms number between the monomers. It is worthy of note that an interesting interlayer charge transfer character is induced in the polar hetero-dimers, which is dependent on the difference between the electronegativity of the monomers. It is our expectation that the new knowledge about the bonding nature of radical hetero-dimers might provide important information for designing radical based functional materials with various applications.

Lactational transfer of mercury and polychlorinated biphenyls in polar bears.

PubMed

Knott, Katrina K; Boyd, Daryle; Ylitalo, Gina M; O'Hara, Todd M

2012-07-01

We examined concentrations of total mercury (tHg, inorganic and methylated forms) and polychlorinated biphenyls (PCBs) in blood and milk from free-ranging Southern Beaufort-Chukchi Sea polar bears (Ursus maritimus) to assess maternal transfer of contaminants during lactation and the potential health risk to nursing young. Concentrations of contaminants in the blood of dependent and juvenile animals (ages 1-5 years) ranged from 35.9 to 52.2 μg kg(-1) ww for tHg and 13.9 to 52.2 μg kg(-1) ww (3255.81-11067.79 μg kg(-1) lw) for ΣPCB(7)s, similar to those of adult females, but greater than adult males. Contaminant concentrations in milk ranged from 5.7 to 71.8 μg tHg kg(-1)ww and 160 to 690 μg ΣPCB(11)s kg(-1) ww (547-5190 μg kg(-1) lw). The daily intake levels for tHg by milk consumption estimated for dependent young were below the tolerable daily intake level (TDIL) of tHg established for adult humans. Although the daily intake levels of PCBs through milk consumption for cubs of the year exceeded the TDIL thresholds, calculated dioxin equivalents for PCBs in milk were below adverse physiological thresholds for aquatic mammals. Relatively high concentrations of non-dioxin like PCBs in polar bear milk and blood could impact endocrine function of Southern Beaufort-Chukchi Sea polar bears, but this is uncertain. Transfer of contaminants during mid to late lactation likely limits bioaccumulation of dietary contaminants in female polar bears during spring. As polar bears respond to changes in their arctic sea ice habitat, the adverse health impacts associated with nutritional stress may be exacerbated by tHg and PCBs exposure, especially in ecologically and toxicologically sensitive polar bear cohorts such as reproductive females and young. Copyright © 2012. Published by Elsevier Ltd.

A telluric method for natural field induced polarization studies

NASA Astrophysics Data System (ADS)

Zorin, Nikita; Epishkin, Dmitrii; Yakovlev, Andrey

2016-12-01

Natural field induced polarization (NFIP) is a branch of low-frequency electromagnetics designed for detection of buried polarizable objects from magnetotelluric (MT) data. The conventional approach to the method deals with normalized MT apparent resistivity. We show that it is more favorable to extract the IP effect from solely electric (telluric) transfer functions instead. For lateral localization of polarizable bodies it is convenient to work with the telluric tensor determinant, which does not depend on the rotation of the receiving electric dipoles. Applicability of the new method was verified in the course of a large-scale field research. The field work was conducted in a well-explored area in East Kazakhstan known for the presence of various IP sources such as graphite, magnetite, and sulfide mineralization. A new multichannel processing approach allowed the determination of the telluric tensor components with very good accuracy. This holds out a hope that in some cases NFIP data may be used not only for detection of polarizable objects, but also for a rough estimation of their spectral IP characteristics.

Ultrafast inter- and intramolecular vibrational energy transfer between molecules at interfaces studied by time- and polarization-resolved SFG spectroscopy.

PubMed

Yamamoto, Susumu; Ghosh, Avishek; Nienhuys, Han-Kwang; Bonn, Mischa

2010-10-28

We present experimental results on femtosecond time-resolved surface vibrational spectroscopy aimed at elucidating the sub-picosecond reorientational dynamics of surface molecules. The approach, which relies on polarization- and time-resolved surface sum frequency generation (SFG), provides a general means to monitor interfacial reorientational dynamics through vibrations inherent in surface molecules in their electronic ground state. The technique requires an anisotropic vibrational excitation of surface molecules using orthogonally polarized infrared excitation light. The decay of the resulting anisotropy is followed in real-time. We employ the technique to reveal the reorientational dynamics of vibrational transition dipoles of long-chain primary alcohols on the water surface, and of water molecules at the water-air interface. The results demonstrate that, in addition to reorientational motion of specific molecules or molecular groups at the interface, inter- and intramolecular energy transfer processes can serve to scramble the initial anisotropy very efficiently. In the two exemplary cases demonstrated here, energy transfer occurs much faster than reorientational motion of interfacial molecules. This has important implications for the interpretation of static SFG spectra. Finally, we suggest experimental schemes and strategies to decouple effects resulting from energy transfer from those associated with surface molecular motion.

Nature's Heat Exchangers.

ERIC Educational Resources Information Center

Barnes, George

1991-01-01

Discusses the heat-transfer systems of different animals. Systems include heat conduction into the ground, heat transferred by convection, heat exchange in lizards, fish and polar animals, the carotid rete system, electromagnetic radiation from animals and people, and plant and animal fiber optics. (MDH)

Electron collisions with F2CO molecules

NASA Astrophysics Data System (ADS)

Freitas, Thiago Corrêa; Barbosa, Alessandra Souza; Bettega, Márcio Henrique Franco

2017-07-01

In this paper we present elastic differential, integral, and momentum-transfer cross sections for electron collisions with carbonyl fluoride (F2CO ) molecules for the incident electron's energy from 0.5 eV to 20 eV. The Schwinger multichannel method with pseudopotentials was employed to obtain the cross sections in the static-exchange and static-exchange plus polarization approximations. The present results were compared with the available data in the literature, in particular, with the results of Kaur, Mason, and Antony [Phys. Rev. A 92, 052702 (2015), 10.1103/PhysRevA.92.052702] for the differential, total, and momentum-transfer cross sections. We have found a π* shape resonance centered at 2.6 eV in the B1 symmetry and other resonance, in the B2 symmetry, located at around 9.7 eV. A systematic study of the inclusion of polarization effects was performed in order to have a well balanced description of this negative-ion transient state. The effects of the long-range electric dipole potential were included by the Born closure scheme. Electronic structure calculations were also performed to help in the interpretation of the scattering results, and associate the transient states to the unoccupied orbitals.

A ray tracing model of gravity wave propagation and breakdown in the middle atmosphere

NASA Technical Reports Server (NTRS)

Schoeberl, M. R.

1985-01-01

Gravity wave ray tracing and wave packet theory is used to parameterize wave breaking in the mesosphere. Rays are tracked by solving the group velocity equations, and the interaction with the basic state is determined by considering the evolution of the packet wave action density. The ray tracing approach has a number of advantages over the steady state parameterization as the effects of gravity wave focussing and refraction, local dissipation, and wave response to rapid changes in the mean flow are more realistically considered; however, if steady state conditions prevail, the method gives identical results. The ray tracing algorithm is tested using both interactive and noninteractive models of the basic state. In the interactive model, gravity wave interaction with the polar night jet on a beta-plane is considered. The algorithm produces realistic polar night jet closure for weak topographic forcing of gravity waves. Planetary scale waves forced by local transfer of wave action into the basic flow in turn transfer their wave action into the zonal mean flow. Highly refracted rays are also found not to contribute greatly to the climatology of the mesosphere, as their wave action is severely reduced by dissipation during their lateral travel.

An analysis of the surface-normal coupling efficiency of a metal grating coupler embedded in a Scotch tape optical waveguide

NASA Astrophysics Data System (ADS)

Barrios, Carlos Angulo; Canalejas-Tejero, Víctor

2017-01-01

The coupling efficiency at normal incidence of recently demonstrated aluminum grating couplers integrated in flexible Scotch tape waveguides has been analyzed theoretically and experimentally. Finite difference time domain (FDTD) and rigorously coupled wave analysis (RCWA) methods have been used to optimize the dimensions (duty cycle and metal thickness) of Scotch tape-embedded 1D Al gratings for maximum coupling at 635 nm wavelength. Good dimension and tape refractive index tolerances are predicted. FDTD simulations reveal the incident beam width and impinging position (alignment) values that avoid rediffraction and thus maximize the coupling efficiency. A 1D Al diffraction grating integrated into a Scotch tape optical waveguide has been fabricated and characterized. The fabrication process, based on pattern transfer, has been optimized to allow complete Al grating transfer onto the Scotch tape waveguide. A maximum coupling efficiency of 20% for TM-polarized normal incidence has been measured, which is in good agreement with the theoretical predictions. The measured coupling efficiency is further increased up to 28% for TM polarization under oblique incidence. Temperature dependence measurements have been also achieved and related to the simulations results and fabrication procedure.

Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design.

PubMed

Phipps, M J S; Fox, T; Tautermann, C S; Skylaris, C-K

2016-07-12

We report the development and implementation of an energy decomposition analysis (EDA) scheme in the ONETEP linear-scaling electronic structure package. Our approach is hybrid as it combines the localized molecular orbital EDA (Su, P.; Li, H. J. Chem. Phys., 2009, 131, 014102) and the absolutely localized molecular orbital EDA (Khaliullin, R. Z.; et al. J. Phys. Chem. A, 2007, 111, 8753-8765) to partition the intermolecular interaction energy into chemically distinct components (electrostatic, exchange, correlation, Pauli repulsion, polarization, and charge transfer). Limitations shared in EDA approaches such as the issue of basis set dependence in polarization and charge transfer are discussed, and a remedy to this problem is proposed that exploits the strictly localized property of the ONETEP orbitals. Our method is validated on a range of complexes with interactions relevant to drug design. We demonstrate the capabilities for large-scale calculations with our approach on complexes of thrombin with an inhibitor comprised of up to 4975 atoms. Given the capability of ONETEP for large-scale calculations, such as on entire proteins, we expect that our EDA scheme can be applied in a large range of biomolecular problems, especially in the context of drug design.

Theory and computation of optimal low- and medium-thrust transfers

NASA Technical Reports Server (NTRS)

Chuang, C.-H.

1993-01-01

This report presents the formulation of the optimal low- and medium-thrust orbit transfer control problem and methods for numerical solution of the problem. The problem formulation is for final mass maximization and allows for second-harmonic oblateness, atmospheric drag, and three-dimensional, non-coplanar, non-aligned elliptic terminal orbits. We setup some examples to demonstrate the ability of two indirect methods to solve the resulting TPBVP's. The methods demonstrated are the multiple-point shooting method as formulated in H. J. Oberle's subroutine BOUNDSCO, and the minimizing boundary-condition method (MBCM). We find that although both methods can converge solutions, there are trade-offs to using either method. BOUNDSCO has very poor convergence for guesses that do not exhibit the correct switching structure. MBCM, however, converges for a wider range of guesses. However, BOUNDSCO's multi-point structure allows more freedom in quesses by increasing the node points as opposed to only quessing the initial state in MBCM. Finally, we note an additional drawback for BOUNDSCO: the routine does not supply information to the users routines for switching function polarity but only the location of a preset number of switching points.

A new analysis of charge transfer and polarization for ligand-metal bonding - Model studies of Al4CO and Al4NH3

NASA Technical Reports Server (NTRS)

Bagus, P. S.; Hermann, K.; Bauschlicher, C. W., Jr.

1984-01-01

The nature of the bonding of CO and NH3 ligands to Al is analyzed, and the intra-unit charge polarization and inter-unit donation for the interaction of ligands with metals are studied. The consequences of metal-to-ligand and ligand-to-metal charge transfer are separately considered by performing a constrained space orbital variation (CSOV) with the electrons of the metal member of the complex in the field of frozen ligand. The electrons of the metal atoms are then frozen in the relaxed distribution given by the CSOV SCF wave function and the ligand electrons are allowed to relax. Quantitative measures of the importance of inter-unit charge transfers and intra-unit polarization are obtained using results of SCF studies of Al4CO and Al4NH3 clusters chosen to simulate the adsorption of the ligands at an on-top side of the Al(111) surface. The electrostatic attraction of the effective dipole moments of the metal and ligand units makes an important contribution to the bond.

Electron Spin Polarization Transfer to ortho-H2 by Interaction of para-H2 with Paramagnetic Species: A Key to a Novel para → ortho Conversion Mechanism.

PubMed

Terenzi, Camilla; Bouguet-Bonnet, Sabine; Canet, Daniel

2015-05-07

We report that at ambient temperature and with 100% enriched para-hydrogen (p-H2) dissolved in organic solvents, paramagnetic spin catalysis of para → ortho hydrogen conversion is accompanied at the onset by a negative ortho-hydrogen (o-H2) proton NMR signal. This novel finding indicates an electron spin polarization transfer, and we show here that this can only occur if the H2 molecule is dissociated upon its transient adsorption by the paramagnetic catalyst. Following desorption, o-H2 is created until the thermodynamic equilibrium is reached. A simple theory confirms that in the presence of a static magnetic field, the hyperfine coupling between unpaired electrons and nuclear spins is responsible for the observed polarization transfer. Owing to the negative electron gyromagnetic ratio, this explains the experimental results and ascertains an as yet unexplored mechanism for para → ortho conversion. Finally, we show that the recovery of o-H2 magnetization toward equilibrium can be simply modeled, leading to the para → ortho conversion rate.

Analysis of sorption into single ODS-silica gel microparticles in acetonitrile-water.

PubMed

Nakatani, Kiyoharu; Kakizaki, Hiroshi

2003-08-01

Intraparticle mass transfer processes of Phenol Blue (PB) in single octadecylsilyl (ODS)-silica gel microparticles in acetonitrile-water were analyzed by microcapillary manipulation and microabsorption methods. An absorption maximum of PB, the sorption isotherm parameters, and the sorption rate in the microparticle system were highly dependent on the percentage of acetonitrile in solution. The results are discussed in terms of the microscopic polarity surrounding PB in the ODS phase and the relationship between the isotherm parameters and the sorption rate.

Derivation of global vegetation biophysical parameters from EUMETSAT Polar System

NASA Astrophysics Data System (ADS)

García-Haro, Francisco Javier; Campos-Taberner, Manuel; Muñoz-Marí, Jordi; Laparra, Valero; Camacho, Fernando; Sánchez-Zapero, Jorge; Camps-Valls, Gustau

2018-05-01

This paper presents the algorithm developed in LSA-SAF (Satellite Application Facility for Land Surface Analysis) for the derivation of global vegetation parameters from the AVHRR (Advanced Very High Resolution Radiometer) sensor on board MetOp (Meteorological-Operational) satellites forming the EUMETSAT (European Organization for the Exploitation of Meteorological Satellites) Polar System (EPS). The suite of LSA-SAF EPS vegetation products includes the leaf area index (LAI), the fractional vegetation cover (FVC), and the fraction of absorbed photosynthetically active radiation (FAPAR). LAI, FAPAR, and FVC characterize the structure and the functioning of vegetation and are key parameters for a wide range of land-biosphere applications. The algorithm is based on a hybrid approach that blends the generalization capabilities offered by physical radiative transfer models with the accuracy and computational efficiency of machine learning methods. One major feature is the implementation of multi-output retrieval methods able to jointly and more consistently estimate all the biophysical parameters at the same time. We propose a multi-output Gaussian process regression (GPRmulti), which outperforms other considered methods over PROSAIL (coupling of PROSPECT and SAIL (Scattering by Arbitrary Inclined Leaves) radiative transfer models) EPS simulations. The global EPS products include uncertainty estimates taking into account the uncertainty captured by the retrieval method and input errors propagation. A sensitivity analysis is performed to assess several sources of uncertainties in retrievals and maximize the positive impact of modeling the noise in training simulations. The paper discusses initial validation studies and provides details about the characteristics and overall quality of the products, which can be of interest to assist the successful use of the data by a broad user's community. The consistent generation and distribution of the EPS vegetation products will constitute a valuable tool for monitoring of earth surface dynamic processes.

An iterative phase-space explicit discontinuous Galerkin method for stellar radiative transfer in extended atmospheres

NASA Astrophysics Data System (ADS)

de Almeida, Valmor F.

2017-07-01

A phase-space discontinuous Galerkin (PSDG) method is presented for the solution of stellar radiative transfer problems. It allows for greater adaptivity than competing methods without sacrificing generality. The method is extensively tested on a spherically symmetric, static, inverse-power-law scattering atmosphere. Results for different sizes of atmospheres and intensities of scattering agreed with asymptotic values. The exponentially decaying behavior of the radiative field in the diffusive-transparent transition region, and the forward peaking behavior at the surface of extended atmospheres were accurately captured. The integrodifferential equation of radiation transfer is solved iteratively by alternating between the radiative pressure equation and the original equation with the integral term treated as an energy density source term. In each iteration, the equations are solved via an explicit, flux-conserving, discontinuous Galerkin method. Finite elements are ordered in wave fronts perpendicular to the characteristic curves so that elemental linear algebraic systems are solved quickly by sweeping the phase space element by element. Two implementations of a diffusive boundary condition at the origin are demonstrated wherein the finite discontinuity in the radiation intensity is accurately captured by the proposed method. This allows for a consistent mechanism to preserve photon luminosity. The method was proved to be robust and fast, and a case is made for the adequacy of parallel processing. In addition to classical two-dimensional plots, results of normalized radiation intensity were mapped onto a log-polar surface exhibiting all distinguishing features of the problem studied.

Zero-field dichroism in the solar chromosphere.

PubMed

Sainz, R Manso; Bueno, J Trujillo

2003-09-12

We explain the linear polarization of the Ca ii infrared triplet observed close to the edge of the solar disk. In particular, we demonstrate that the physical origin of the enigmatic polarizations of the 866.2 and 854.2 nm lines lies in the existence of atomic polarization in their metastable (2)D(3)(/2, 5/2) lower levels, which produces differential absorption of polarization components (dichroism). To this end, we have solved the problem of the generation and transfer of polarized radiation by taking fully into account all the relevant optical pumping mechanisms in multilevel atomic models. We argue that "zero-field" dichroism may be of great diagnostic value in astrophysics.

Arcmancer: Geodesics and polarized radiative transfer library

NASA Astrophysics Data System (ADS)

Pihajoki, Pauli; Mannerkoski, Matias; Nättilä, Joonas; Johansson, Peter H.

2018-05-01

Arcmancer computes geodesics and performs polarized radiative transfer in user-specified spacetimes. The library supports Riemannian and semi-Riemannian spaces of any dimension and metric; it also supports multiple simultaneous coordinate charts, embedded geometric shapes, local coordinate systems, and automatic parallel propagation. Arcmancer can be used to solve various problems in numerical geometry, such as solving the curve equation of motion using adaptive integration with configurable tolerances and differential equations along precomputed curves. It also provides support for curves with an arbitrary acceleration term and generic tools for generating ray initial conditions and performing parallel computation over the image, among other tools.

Charge-transfer dynamics in one-dimensional C 60 chains

NASA Astrophysics Data System (ADS)

Pérez-Dieste, V.; Tamai, A.; Greber, T.; Chiuzbaˇian, S. G.; Patthey, L.

2008-06-01

Charge transfer in highly-ordered C 60 chains grown on a Cu(5 5 3) vicinal surface is studied by means of resonant photoemission. Tuning the light polarization, autoionization of the highest occupied molecular orbital (HOMO) was expected to detect anisotropy in this one-dimensional system. For one monolayer C 60 we found no signature of autoionization. This indicates that for an electron which is excited from the C 1s level of C 60 to the lowest unoccupied molecular orbital (LUMO), hybridization leads to delocalization on the femtosecond time-scale and no influence of the light polarization is observed.

Components of polarization-transfer to a bound proton in a deuteron measured by quasi-elastic electron scattering

NASA Astrophysics Data System (ADS)

Izraeli, D.; Yaron, I.; Schlimme, B. S.; Achenbach, P.; Arenhövel, H.; Ashkenazi, A.; Beričič, J.; Böhm, R.; Bosnar, D.; Cohen, E. O.; Distler, M. O.; Esser, A.; Friščić, I.; Gilman, R.; Korover, I.; Lichtenstadt, J.; Mardor, I.; Merkel, H.; Middleton, D. G.; Mihovilovič, M.; Müller, U.; Olivenboim, M.; Piasetzky, E.; Pochodzalla, J.; Ron, G.; Schoth, M.; Schulz, F.; Sfienti, C.; Širca, S.; Štajner, S.; Strauch, S.; Thiel, M.; Tyukin, A.; Weber, A.; A1 Collaboration

2018-06-01

We report the first measurements of the transverse (Px and Py) and longitudinal (Pz) components of the polarization transfer to a bound proton in the deuteron via the 2H (e → ,e‧ p →) reaction, over a wide range of missing momentum. A precise determination of the electron beam polarization reduces the systematic uncertainties on the individual components to a level that enables a detailed comparison to a state-of-the-art calculation of the deuteron using free-proton electromagnetic form factors. We observe very good agreement between the measured and the calculated Px /Pz ratios, but deviations of the individual components. Our results cannot be explained by medium modified electromagnetic form factors. They point to an incomplete description of the nuclear reaction mechanism in the calculation.

Quantitative calculations of fluorescence polarization and absorption anisotropy kinetics of double- and triple-chromophore complexes with energy transfer.

PubMed Central

Demidov, A A

1994-01-01

A new method is presented for calculation of the fluorescence depolarization and kinetics of absorption anisotropy for molecular complexes with a limited number of chromophores. The method considers absorption and emission of light by both chromophores, and also energy transfer between them, with regard to their mutual orientations. The chromophores in each individual complex are rigidly positioned. The complexes are randomly distributed and oriented in space, and there is no energy transfer between them. The new "practical" formula for absorption anisotropy and fluorescence depolarization kinetics, P(t) = [3B(t) - 1 + 2A(t)]/[3 + B(t) + 4A(t)], is derived both for double- and triple-chromophore complexes with delta-pulse excitation. The parameter B(t) is given by (a) B(t) = cos2(theta) for double-chromophore complexes, and (b) B(t) = q12(t)cos2(theta 12) + q13(t)-cos2(theta 13) + q23(t)cos2(theta 23) for triple-chromophore complexes, where q12(t) + q13(t) + q23(t) = 1. Here theta ij are the angles between the chromophore transition dipole moments in the individual molecular complex. The parameters qij(t) and A(t) are dependent on chromophore spectroscopic features and on the rates of energy transfer. PMID:7696461

International solar polar mission: The vector helium magnetometer

NASA Technical Reports Server (NTRS)

1982-01-01

The functional requirements for the vector helium magnetometer (VHM) on the Solar Polar spacecraft are presented. The VHM is one of the two magnetometers on board that will measure the vector magnetic field along the Earth to Jupiter transfer trajectory, as well as in the vicinity of Jupiter and along the solar polar orbit following the Jupiter encounter. The interconnection between these two magnetometers and their shared data processing unit is illustrated.

7 CFR 1530.106 - License charges and credits.

Code of Federal Regulations, 2011 CFR

2011-01-01

..., DEPARTMENT OF AGRICULTURE THE REFINED SUGAR RE-EXPORT PROGRAM, THE SUGAR CONTAINING PRODUCTS RE-EXPORT... charged or credited for the quantity of sugar entered, transferred, exported, or used, adjusted to a dry... 100 degrees polarity on a dry weight basis. (1) To adjust the raw value for sugar with a polarization...

Chemical nuclear polarization effects in photoreactions of 1,4-diazabicyclo[2.2.2]octane with carbonyl-containing compounds

NASA Astrophysics Data System (ADS)

Porkhun, V. I.; Rakhimov, A. I.

2012-11-01

Elementary acts of the photoreaction of diamine with 2,6-diphenyl- p-benzoquinone are determined from the effects of chemical nuclear polarization effects. Hydrogen atom transfer is shown to occur in two stages with the participation of a radical ion pair.

Effect of aerosol microphysical properties on polarization of skylight: sensitivity study and measurements.

PubMed

Boesche, Eyk; Stammes, Piet; Ruhtz, Thomas; Preusker, Réne; Fischer, Juergen

2006-12-01

We analyze the sensitivity of the degree of linear polarization in the Sun's principal plane as a function of aerosol microphysical parameters: the real and imaginary parts of the refractive index, the median radius and geometric standard deviation of the bimodal size distribution (both fine and coarse modes), and the relative number weight of the fine mode at a wavelength of 675 nm. We use Mie theory for single-scattering simulations and the doubling-adding method with the inclusion of polarization for multiple scattering. It is shown that the behavior of the degree of linear polarization is highly sensitive to both the small mode of the bimodal size distribution and the real part of the refractive index of aerosols, as well as to the aerosol optical thickness; whereas not all parameters influence the polarization equally. A classification of the importance of the input parameters is given. This sensitivity study is applied to an analysis of ground-based polarization measurements. For the passive remote sensing of microphysical and optical properties of aerosols, a ground-based spectral polarization measuring system was built, which aims to measure the Stokes parameters I, Q, and U in the visible (from 410 to 789 nm) and near-infrared (from 674 to 995 nm) spectral range with a spectral resolution of 7 nm in the visible and 2.4 nm in the near infrared. We compare polarization measurements taken with radiative transfer simulations under both clear- and hazy-sky conditions in an urban area (Cabauw, The Netherlands, 51.58 degrees N, 4.56 degrees E). Conclusions about the microphysical properties of aerosol are drawn from the comparison.

Optimization of SABRE for polarization of the tuberculosis drugs pyrazinamide and isoniazid.

PubMed

Zeng, Haifeng; Xu, Jiadi; Gillen, Joseph; McMahon, Michael T; Artemov, Dmitri; Tyburn, Jean-Max; Lohman, Joost A B; Mewis, Ryan E; Atkinson, Kevin D; Green, Gary G R; Duckett, Simon B; van Zijl, Peter C M

2013-12-01

Hyperpolarization produces nuclear spin polarization that is several orders of magnitude larger than that achieved at thermal equilibrium thus providing extraordinary contrast and sensitivity. As a parahydrogen induced polarization (PHIP) technique that does not require chemical modification of the substrate to polarize, Signal Amplification by Reversible Exchange (SABRE) has attracted a lot of attention. Using a prototype parahydrogen polarizer, we polarize two drugs used in the treatment of tuberculosis, namely pyrazinamide and isoniazid. We examine this approach in four solvents, methanol-d4, methanol, ethanol and DMSO and optimize the polarization transfer magnetic field strength, the temperature as well as intensity and duration of hydrogen bubbling to achieve the best overall signal enhancement and hence hyperpolarization level. Copyright © 2013 Elsevier Inc. All rights reserved.

Structure and Dynamics of Solvent Landscapes in Charge-Transfer Reactions

NASA Astrophysics Data System (ADS)

Leite, Vitor B. Pereira

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

Solvent jet desorption capillary photoionization-mass spectrometry.

PubMed

Haapala, Markus; Teppo, Jaakko; Ollikainen, Elisa; Kiiski, Iiro; Vaikkinen, Anu; Kauppila, Tiina J; Kostiainen, Risto

2015-03-17

A new ambient mass spectrometry method, solvent jet desorption capillary photoionization (DCPI), is described. The method uses a solvent jet generated by a coaxial nebulizer operated at ambient conditions with nitrogen as nebulizer gas. The solvent jet is directed onto a sample surface, from which analytes are extracted into the solvent and ejected from the surface in secondary droplets formed in collisions between the jet and the sample surface. The secondary droplets are directed into the heated capillary photoionization (CPI) device, where the droplets are vaporized and the gaseous analytes are ionized by 10 eV photons generated by a vacuum ultraviolet (VUV) krypton discharge lamp. As the CPI device is directly connected to the extended capillary inlet of the MS, high ion transfer efficiency to the vacuum of MS is achieved. The solvent jet DCPI provides several advantages: high sensitivity for nonpolar and polar compounds with limit of detection down to low fmol levels, capability of analyzing small and large molecules, and good spatial resolution (250 μm). Two ionization mechanisms are involved in DCPI: atmospheric pressure photoionization, capable of ionizing polar and nonpolar compounds, and solvent assisted inlet ionization capable of ionizing larger molecules like peptides. The feasibility of DCPI was successfully tested in the analysis of polar and nonpolar compounds in sage leaves and chili pepper.

Transport and imaging of brute-force 13C hyperpolarization

NASA Astrophysics Data System (ADS)

Hirsch, Matthew L.; Smith, Bryce A.; Mattingly, Mark; Goloshevsky, Artem G.; Rosay, Melanie; Kempf, James G.

2015-12-01

We demonstrate transport of hyperpolarized frozen 1-13C pyruvic acid from its site of production to a nearby facility, where a time series of 13C images was acquired from the aqueous dissolution product. Transportability is tied to the hyperpolarization (HP) method we employ, which omits radical electron species used in other approaches that would otherwise relax away the HP before reaching the imaging center. In particular, we attained 13C HP by 'brute-force', i.e., using only low temperature and high-field (e.g., T < ∼2 K and B ∼ 14 T) to pre-polarize protons to a large Boltzmann value (∼0.4% 1H polarization). After polarizing the neat, frozen sample, ejection quickly (<1 s) passed it through a low field (B < 100 G) to establish the 1H pre-polarization spin temperature on 13C via the process known as low-field thermal mixing (yielding ∼0.1% 13C polarization). By avoiding polarization agents (a.k.a. relaxation agents) that are needed to hyperpolarize by the competing method of dissolution dynamic nuclear polarization (d-DNP), the 13C relaxation time was sufficient to transport the sample for ∼10 min before finally dissolving in warm water and obtaining a 13C image of the hyperpolarized, dilute, aqueous product (∼0.01% 13C polarization, a >100-fold gain over thermal signals in the 1 T scanner). An annealing step, prior to polarizing the sample, was also key for increasing T1 ∼ 30-fold during transport. In that time, HP was maintained using only modest cryogenics and field (T ∼ 60 K and B = 1.3 T), for T1(13C) near 5 min. Much greater time and distance (with much smaller losses) may be covered using more-complete annealing and only slight improvements on transport conditions (e.g., yielding T1 ∼ 5 h at 30 K, 2 T), whereas even intercity transfer is possible (T1 > 20 h) at reasonable conditions of 6 K and 2 T. Finally, it is possible to increase the overall enhancement near d-DNP levels (i.e., 102-fold more) by polarizing below 100 mK, where nanoparticle agents are known to hasten T1 buildup by 100-fold, and to yield very little impact on T1 losses at temperatures relevant to transport.

Polarized and persistent Ca²⁺ plumes define loci for formation of wall ingrowth papillae in transfer cells.

PubMed

Zhang, Hui-Ming; Imtiaz, Mohammad S; Laver, Derek R; McCurdy, David W; Offler, Christina E; van Helden, Dirk F; Patrick, John W

2015-03-01

Transfer cell morphology is characterized by a polarized ingrowth wall comprising a uniform wall upon which wall ingrowth papillae develop at right angles into the cytoplasm. The hypothesis that positional information directing construction of wall ingrowth papillae is mediated by Ca(2+) signals generated by spatiotemporal alterations in cytosolic Ca(2+) ([Ca(2+)]cyt) of cells trans-differentiating to a transfer cell morphology was tested. This hypothesis was examined using Vicia faba cotyledons. On transferring cotyledons to culture, their adaxial epidermal cells synchronously trans-differentiate to epidermal transfer cells. A polarized and persistent Ca(2+) signal, generated during epidermal cell trans-differentiation, was found to co-localize with the site of ingrowth wall formation. Dampening Ca(2+) signal intensity, by withdrawing extracellular Ca(2+) or blocking Ca(2+) channel activity, inhibited formation of wall ingrowth papillae. Maintenance of Ca(2+) signal polarity and persistence depended upon a rapid turnover (minutes) of cytosolic Ca(2+) by co-operative functioning of plasma membrane Ca(2+)-permeable channels and Ca(2+)-ATPases. Viewed paradermally, and proximal to the cytosol-plasma membrane interface, the Ca(2+) signal was organized into discrete patches that aligned spatially with clusters of Ca(2+)-permeable channels. Mathematical modelling demonstrated that these patches of cytosolic Ca(2+) were consistent with inward-directed plumes of elevated [Ca(2+)]cyt. Plume formation depended upon an alternating distribution of Ca(2+)-permeable channels and Ca(2+)-ATPase clusters. On further inward diffusion, the Ca(2+) plumes coalesced into a uniform Ca(2+) signal. Blocking or dispersing the Ca(2+) plumes inhibited deposition of wall ingrowth papillae, while uniform wall formation remained unaltered. A working model envisages that cytosolic Ca(2+) plumes define the loci at which wall ingrowth papillae are deposited. © The Author 2014. Published by Oxford University Press on behalf of the Society for Experimental Biology.

Multiple Scattering in Planetary Regoliths Using Incoherent Interactions

NASA Astrophysics Data System (ADS)

Muinonen, K.; Markkanen, J.; Vaisanen, T.; Penttilä, A.

2017-12-01

We consider scattering of light by a planetary regolith using novel numerical methods for discrete random media of particles. Understanding the scattering process is of key importance for spectroscopic, photometric, and polarimetric modeling of airless planetary objects, including radar studies. In our modeling, the size of the spherical random medium can range from microscopic to macroscopic sizes, whereas the particles are assumed to be of the order of the wavelength in size. We extend the radiative transfer and coherent backscattering method (RT-CB) to the case of dense packing of particles by adopting the ensemble-averaged first-order incoherent extinction, scattering, and absorption characteristics of a volume element of particles as input. In the radiative transfer part, at each absorption and scattering process, we account for absorption with the help of the single-scattering albedo and peel off the Stokes parameters of radiation emerging from the medium in predefined scattering angles. We then generate a new scattering direction using the joint probability density for the local polar and azimuthal scattering angles. In the coherent backscattering part, we utilize amplitude scattering matrices along the radiative-transfer path and the reciprocal path. Furthermore, we replace the far-field interactions of the RT-CB method with rigorous interactions facilitated by the Superposition T-matrix method (STMM). This gives rise to a new RT-RT method, radiative transfer with reciprocal interactions. For microscopic random media, we then compare the new results to asymptotically exact results computed using the STMM, succeeding in the numerical validation of the new methods.Acknowledgments. Research supported by European Research Council with Advanced Grant No. 320773 SAEMPL, Scattering and Absorption of ElectroMagnetic waves in ParticuLate media. Computational resources provided by CSC - IT Centre for Science Ltd, Finland.

Atmospheres and spectra of strongly magnetized neutron stars - II. The effect of vacuum polarization

NASA Astrophysics Data System (ADS)

Ho, Wynn C. G.; Lai, Dong

2003-01-01

We study the effect of vacuum polarization on the atmosphere structure and radiation spectra of neutron stars with surface magnetic fields B= 1014-1015 G, as appropriate for magnetars. Vacuum polarization modifies the dielectric property of the medium and gives rise to a resonance feature in the opacity; this feature is narrow and occurs at a photon energy that depends on the plasma density. Vacuum polarization can also induce resonant conversion of photon modes via a mechanism analogous to the Mikheyev-Smirnov-Wolfenstein (MSW) mechanism for neutrino oscillation. We construct atmosphere models in radiative equilibrium with an effective temperature of a few ×106 K by solving the full radiative transfer equations for both polarization modes in a fully ionized hydrogen plasma. We discuss the subtleties in treating the vacuum polarization effects in the atmosphere models and present approximate solutions to the radiative transfer problem which bracket the true answer. We show from both analytic considerations and numerical calculations that vacuum polarization produces a broad depression in the X-ray flux at high energies (a few keV <~E<~ a few tens of keV) as compared to models without vacuum polarization; this arises from the density dependence of the vacuum resonance feature and the large density gradient present in the atmosphere. Thus the vacuum polarization effect softens the high-energy tail of the thermal spectrum, although the atmospheric emission is still harder than the blackbody spectrum because of the non-grey opacities. We also show that the depression of continuum flux strongly suppresses the equivalent width of the ion cyclotron line and therefore makes the line more difficult to observe.

Towards a Radar/Radiometer Mode on the Dual-Frequency, Dual-Polarized, Doppler Radar (D3R) System

NASA Technical Reports Server (NTRS)

Vega, Manuel A.; Chandrasekar, V.

2016-01-01

The dual-­frequency, dual-­polarized, Doppler radar (D3R) system was developed in support of the ground validation segment of the Global Precipitation Measurement (GPM) mission. Although its main purpose is to provide active, Ku/Ka­-band, dual­-polarized measurements of precipitation, the design presents an opportunity to study its operation in an active/passive mode. The opportunity arises from use of solid-­state transmitters employing a multi­-frequency waveform and receiving system. Typically, a sequence of three pulses separated in frequency is transmitted to achieve its radar sensitivity and minimum range. However, one of the three pulses can be disabled with a tolerable decrease in sensitivity and its receive channel can be repurposed to support passive measurements. This work focuses on progress in the characterization of the Ku-­band H polarized passive channel operating simultaneously with two active as a step towards the provision of brightness temperatures along with the other radar derived products. The methodology developed will be applied to the V polarized channel and Ka­-band subsystem in the near future. The study consists on the analysis of the antenna performance, receiver architecture, transfer function and achievable number of independent samples, calibration method and preliminary observation analysis. All within the context of the instrument's current configuration and possible future improvements.

Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.

PubMed

Lara, A; Riquelme, M; Vöhringer-Martinez, E

2018-05-11

Partition coefficients serve in various areas as pharmacology and environmental sciences to predict the hydrophobicity of different substances. Recently, they have also been used to address the accuracy of force fields for various organic compounds and specifically the methylated DNA bases. In this study, atomic charges were derived by different partitioning methods (Hirshfeld and Minimal Basis Iterative Stockholder) directly from the electron density obtained by electronic structure calculations in a vacuum, with an implicit solvation model or with explicit solvation taking the dynamics of the solute and the solvent into account. To test the ability of these charges to describe electrostatic interactions in force fields for condensed phases, the original atomic charges of the AMBER99 force field were replaced with the new atomic charges and combined with different solvent models to obtain the hydration and chloroform solvation free energies by molecular dynamics simulations. Chloroform-water partition coefficients derived from the obtained free energies were compared to experimental and previously reported values obtained with the GAFF or the AMBER-99 force field. The results show that good agreement with experimental data is obtained when the polarization of the electron density by the solvent has been taken into account, and when the energy needed to polarize the electron density of the solute has been considered in the transfer free energy. These results were further confirmed by hydration free energies of polar and aromatic amino acid side chain analogs. Comparison of the two partitioning methods, Hirshfeld-I and Minimal Basis Iterative Stockholder (MBIS), revealed some deficiencies in the Hirshfeld-I method related to the unstable isolated anionic nitrogen pro-atom used in the method. Hydration free energies and partitioning coefficients obtained with atomic charges from the MBIS partitioning method accounting for polarization by the implicit solvation model are in good agreement with the experimental values. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Synthesis, and spectroscopic studies of charge transfer complex of 1,2-dimethylimidazole as an electron donor with π-acceptor 2,4-dinitro-1-naphthol in different polar solvents

NASA Astrophysics Data System (ADS)

Miyan, Lal; Khan, Ishaat M.; Ahmad, Afaq

2015-07-01

The charge transfer (CT) complex of 1,2-dimethylimidazole (DMI) as an electron donor with π acceptor 2,4-dinitro-1-naphthol (DNN) has been studied spectrophotometrically in different solvents like chloroform, acetonitrile, methanol, methylene chloride, etc. at room temperature. The CT complex which is formed through the transfer of lone pair electrons from DMI to DNN exhibits well resolved CT bands and the regions of these bands were remarkably different from those of the donor and acceptor. The stoichiometry of the CT complex was found to be 1:1 by a straight-line method between donor and acceptor with maximum absorption bands. The novel CT complex has been characterized by FTIR, TGA-DTA, powder XRD, 1H NMR and 13C NMR spectroscopic techniques. The Benesi-Hildebrand equation has been used to determine the formation constant (KCT), molar extinction coefficient (εCT), standard gibbs free energy (ΔG°) and other physical parameters of the CT complex. The formation constant recorded higher values and molar extinction coefficient recorded lower values in chloroform compared with methylene chloride, methanol and acetonitrile, confirming the strong interaction between the molecular orbital's of donor and acceptor in the ground state in less polar solvent. This CT complex has been studied by absorption spectra of donor 1,2-dimethylimidazole (DMI) and acceptor 2,4-dinitro-1-naphthol (DNN) by using the spectrophotometric technique in various solvents at room temperature.

Polarized spectral properties and 1.5-1.6 μm laser operation of Er:Sr3Yb2(BO3)4 crystal

NASA Astrophysics Data System (ADS)

Lin, F. L.; Huang, J. H.; Chen, Y. J.; Gong, X. H.; Lin, Y. F.; Luo, Z. D.; Huang, Y. D.

2013-10-01

Undoped and Er3+-doped Sr3Yb2(BO3)4 crystals were grown by the Czochralski method. Room temperature polarized spectral properties of the Er:Sr3Yb2(BO3)4 crystal were investigated. The efficiency of the energy transfer from Yb3+ to Er3+ ions in this crystal was calculated to be about 95%. End-pumped by a diode laser at 970 nm in a hemispherical cavity, a 0.75 W quasi-CW laser at 1.5-1.6 μm with a slope efficiency of 7% and an absorbed pump threshold of 3.8 W was achieved in a 0.5-mm-thick Z-cut crystal glued on a 5-mm-thick pure YAG crystal with UV-curable adhesive.

Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice.

PubMed

Murdachaew, Garold; Mundy, Christopher J; Schenter, Gregory K; Laino, Teodoro; Hutter, Jürg

2011-06-16

We have applied an efficient electronic structure approach, the semiempirical self-consistent polarization neglect of diatomic differential overlap (SCP-NDDO) method, previously parametrized to reproduce properties of water clusters by Chang, Schenter, and Garrett [ J. Chem. Phys. 2008 , 128 , 164111 ] and now implemented in the CP2K package, to model ambient liquid water at 300 K (both the bulk and the liquid-vapor interface) and cubic ice at 15 and 250 K. The SCP-NDDO potential retains its transferability and good performance across the full range of conditions encountered in the clusters and the bulk phases of water. In particular, we obtain good results for the density, radial distribution functions, enthalpy of vaporization, self-diffusion coefficient, molecular dipole moment distribution, and hydrogen bond populations, in comparison to experimental measurements. © 2011 American Chemical Society

Master equation theory applied to the redistribution of polarized radiation in the weak radiation field limit. IV. Application to the second solar spectrum of the Na I D1 and D2 lines

NASA Astrophysics Data System (ADS)

Bommier, Véronique

2016-06-01

Context. The spectrum of the linear polarization, which is formed by scattering and observed on the solar disk close to the limb, is very different from the intensity spectrum and thus able to provide new information, in particular about anisotropies in the solar surface plasma and magnetic fields. In addition, a large number of lines show far wing polarization structures assigned to partial redistribution (PRD), which we prefer to denote as Rayleigh/Raman scattering. The two-level or two-term atom approximation without any lower level polarization is insufficient for many lines. Aims: In the previous paper of this series, we presented our theory generalized to the multilevel and multiline atom and comprised of statistical equilibrium equations for the atomic density matrix elements and radiative transfer equation for the polarized radiation. The present paper is devoted to applying this theory to model the second solar spectrum of the Na I D1 and D2 lines. Methods: The solution method is iterative, of the lambda-iteration type. The usual acceleration techniques were considered or even applied, but we found these to be unsuccessful, in particular because of nonlinearity or large number of quantities determining the radiation at each depth. Results: The observed spectrum is qualitatively reproduced in line center, but the convergence is yet to be reached in the far wings and the observed spectrum is not totally reproduced there. Conclusions: We need to investigate noniterative resolution methods. The other limitation lies in the one-dimensional (1D) atmosphere model, which is unable to reproduce the intermittent matter structure formed of small loops or spicules in the chromosphere. This modeling is rough, but the computing time in the presence of hyperfine structure and PRD prevents us from envisaging a three-dimensional (3D) model at this instant.

A novel design measuring method based on linearly polarized laser interference

NASA Astrophysics Data System (ADS)

Cao, Yanbo; Ai, Hua; Zhao, Nan

2013-09-01

The interferometric method is widely used in the precision measurement, including the surface quality of the large-aperture mirror. The laser interference technology has been developing rapidly as the laser sources become more and more mature and reliable. We adopted the laser diode as the source for the sake of the short coherent wavelength of it for the optical path difference of the system is quite shorter as several wavelengths, and the power of laser diode is sufficient for measurement and safe to human eye. The 673nm linearly laser was selected and we construct a novel form of interferometric system as we called `Closed Loop', comprised of polarizing optical components, such as polarizing prism and quartz wave plate, the light from the source split by which into measuring beam and referencing beam, they've both reflected by the measuring mirror, after the two beams transforming into circular polarization and spinning in the opposite directions we induced the polarized light synchronous phase shift interference technology to get the detecting fringes, which transfers the phase shifting in time domain to space, so that we did not need to consider the precise-controlled shift of optical path difference, which will introduce the disturbance of the air current and vibration. We got the interference fringes from four different CCD cameras well-alignment, and the fringes are shifted into four different phases of 0, π/2, π, and 3π/2 in time. After obtaining the images from the CCD cameras, we need to align the interference fringes pixel to pixel from different CCD cameras, and synthesis the rough morphology, after getting rid of systematic error, we could calculate the surface accuracy of the measuring mirror. This novel design detecting method could be applied into measuring the optical system aberration, and it would develop into the setup of the portable structural interferometer and widely used in different measuring circumstances.

Non-catalytic transfer hydrogenation in supercritical CO2 for coal liquefaction

NASA Astrophysics Data System (ADS)

Elhussien, Hussien

This thesis presents the results of the investigation on developing and evaluating a low temperature (<150°C) non - catalytic process using a hydrogen transfer agent (instead of molecu-lar hydrogen) for coal dissolution in supercritical CO2. The main idea behind the thesis was that one hydrogen atom from water and one hydrogen atom from the hydrogen transfer agent (HTA) were used to hydrogenate the coal. The products of coal dissolution were non-polar and polar while the supercritical CO2, which enhanced the rates of hydrogenation and dissolution of the non-polar molecules and removal from the reaction site, was non-polar. The polar modifier (PM) for CO2 was added to the freed to aid in the dissolution and removal of the polar components. The addition of a phase transfer agent (PTA) allowed a seamless transport of the ions and by-product between the aqueous and organic phases. DDAB, used as the PTA, is an effective phase transfer catalyst and showed enhancement to the coal dissolution process. COAL + DH- +H 2O → COAL.H2 + DHO-- This process has a great feature due to the fact that the chemicals were obtained without requir-ing to first convert coal to CO and H2 units as in indirect coal liquefaction. The experiments were conducted in a unique reactor set up that can be connected through two lines. one line to feed the reactor with supercritical CO 2 and the other connected to gas chromatograph. The use of the supercritical CO2 enhanced the solvent option due to the chemical extraction, in addition to the low environmental impact and energy cost. In this thesis the experiment were conducted at five different temperatures from atmos-pheric to 140°C, 3000 - 6000 psi with five component of feed mixture, namely water, HTA, PTA, coal, and PM in semi batch vessels reactor system with a volume of 100 mL. The results show that the chemicals were obtained without requiring to first convert coal to CO and H2 units as in indirect coal liquefaction. The results show that the conversion was found to be 91.8% at opti-mum feed mixtures values of 3, 1.0 and 5.4 for water: PM, HTA: coal, water: coal respectively. With the oil price increase and growing in energy demand, the coal liquefaction remain affordable and available energy alternative.

Oxygen ion transference number of doped lanthanum gallate

NASA Astrophysics Data System (ADS)

Wang, Shizhong; Wu, Lingli; Gao, Jie; He, Qiong; Liu, Meilin

The transference numbers for oxygen ion (t O) in several LaGaO 3-based materials are determined from oxygen concentration cells using the materials as the electrolyte, including La 0.8Sr 0.2Ga 0.8Mg 0.2O 3- δ (LSGM8282), La 0.8Sr 0.2Ga 0.8Mg 0.15Co 0.05O 3- δ (LSGMC5) and La 0.8Sr 0.2Ga 0.8Mg 0.115Co 0.085O 3- δ (LSGMC8.5). Analysis indicates that the accuracy in determination of oxygen ion transference number depends on the electrode polarization resistances of the concentration cell as well as the transport properties of the materials studied. For example, the ratio of open cell voltage to Nernst potential is a good approximation to the ionic transference number for LSGM8282. However, this approximation is no longer adequate for LSGMC5 and LSGMC8.5; the effect of electrode polarization resistances must be taken into consideration in estimation of the ionic transference numbers. In particular, the ionic transference number for LSGMC5 is as high as 0.99, suggesting that it is a promising electrolyte material for low-temperature solid-state electrochemical applications.

Rotationally inelastic collisions of He and Ar with NaK: Experiment and theory

NASA Astrophysics Data System (ADS)

Malenda, R. F.; Jones, J.; Faust, C.; Richter, K.; Wolfe, C. M.; Hickman, A. P.; Huennekens, J.; Talbi, D.; Gatti, F.

2012-06-01

We are investigating collisions of the ground (X^1&+circ;) and first excited (A^1&+circ;) electronic states of NaK using both experimental and theoretical methods. Potential surfaces for HeNaK (fixed NaK bond length) are used for coupled channel calculations of cross sections for rotational energy transfer and also for collisional transfer of orientation and alignment. Additional calculations use the MCTDH wavepacket method. The measurements of the A state collisions involve a pump--probe excitation scheme using polarization labeling and laser-induced fluorescence spectroscopy. The pump excites a particular ro-vibrational level (v,J) of the A state from the X state, and the probe laser is scanned over various transitions to the 3^1π state. In addition to strong direct transitions, weak satellite lines are observed that arise from collisionally-induced transitions from the (v,J) level to (v,J'=J+δJ). This method provides information about the cross sections for transfer of population and orientation for A state levels, and it can be adapted to transitions starting in the X state. For the A state we observe a strong δJ=even propensity for both He and Ar perturbers. Preliminary results for the X state do not show this propensity.

Intuitive Density Functional Theory-Based Energy Decomposition Analysis for Protein-Ligand Interactions.

PubMed

Phipps, M J S; Fox, T; Tautermann, C S; Skylaris, C-K

2017-04-11

First-principles quantum mechanical calculations with methods such as density functional theory (DFT) allow the accurate calculation of interaction energies between molecules. These interaction energies can be dissected into chemically relevant components such as electrostatics, polarization, and charge transfer using energy decomposition analysis (EDA) approaches. Typically EDA has been used to study interactions between small molecules; however, it has great potential to be applied to large biomolecular assemblies such as protein-protein and protein-ligand interactions. We present an application of EDA calculations to the study of ligands that bind to the thrombin protein, using the ONETEP program for linear-scaling DFT calculations. Our approach goes beyond simply providing the components of the interaction energy; we are also able to provide visual representations of the changes in density that happen as a result of polarization and charge transfer, thus pinpointing the functional groups between the ligand and protein that participate in each kind of interaction. We also demonstrate with this approach that we can focus on studying parts (fragments) of ligands. The method is relatively insensitive to the protocol that is used to prepare the structures, and the results obtained are therefore robust. This is an application to a real protein drug target of a whole new capability where accurate DFT calculations can produce both energetic and visual descriptors of interactions. These descriptors can be used to provide insights for tailoring interactions, as needed for example in drug design.

Microstructure and properties of single crystal BaTiO3 thin films synthesized by ion implantation-induced layer transfer

NASA Astrophysics Data System (ADS)

Park, Young-Bae; Ruglovsky, Jennifer L.; Atwater, Harry A.

2004-07-01

Single crystal BaTiO3 thin films have been transferred onto Pt-coated and Si3N4-coated substrates by the ion implantation-induced layer transfer method using H + and He+ ion coimplantation and subsequent annealing. The transferred BaTiO3 films are single crystalline with root mean square roughness of 17nm. Polarized optical and piezoresponse force microscopy (PFM) indicate that the BaTiO3 film domain structure closely resembles that of bulk tetragonal BaTiO3 and atomic force microscopy shows a 90° a -c domain structure with a tetragonal angle of 0.5°-0.6°. Micro-Raman spectroscopy indicates that the local mode intensity is degraded in implanted BaTiO3 but recovers during anneals above the Curie temperature. The piezoelectric coefficient, d33, is estimated from PFM to be 80-100pm/V and the coercive electric field (Ec) is 12-20kV/cm, comparable to those in single crystal BaTiO3.

Spin Polarized Transport in Multilayer Structures with Complex Magnetic Configurations

NASA Astrophysics Data System (ADS)

Sahakyan, Avag; Poghosyan, Anahit; Movsesyan, Ruzan; Kocharian, Armen

The spin transport and spin polarization in a new class of multilayer structures are investigated for non-collinear and noncoplanar magnetic configurations containing repetitive magnetic layers. The magnetic configuration of the structure dictates the existence of certain degrees of freedom that determines magnetic transport and polarization properties. We consider magnetic structures in magnetic multilayers with canted spin configurations separated by non-magnetic quantum well so that the exchange interaction between the neighbor barriers can be ignored. Configurations of magnetizations in barriers include some structures consisting of two ''ferromagnetic'' or ''antiferromagnetic'' domains twisted relative to each other by a certain angle (angle noncollinearity). The similar system, formed from two noncollinear domains separated by canted ''magnetic defect'' is also considered. The above mentioned properties of these systems depend strongly on the type of magnetic configuration and variation of certain degrees of freedom. Simple theoretical approach with the transfer matrix method is carried out to understand and predict the magnetic properties of the multilayer systems. The work at California University Los Angeles was supported by the National Science Foundation-Partnerships for Research and Education in Materials under Grant DMR-1523588.

Transmission properties of one-dimensional ternary plasma photonic crystals

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

Shiveshwari, Laxmi; Awasthi, S. K.

2015-09-15

Omnidirectional photonic band gaps (PBGs) are found in one-dimensional ternary plasma photonic crystals (PPC) composed of single negative metamaterials. The band characteristics and transmission properties are investigated through the transfer matrix method. We show that the proposed structure can trap light in three-dimensional space due to the elimination of Brewster's angle transmission resonance allowing the existence of complete PBG. The results are discussed in terms of incident angle, layer thickness, dielectric constant of the dielectric material, and number of unit cells (N) for TE and TM polarizations. It is seen that PBG characteristics is apparent even in an N ≥ 2 system,more » which is weakly sensitive to the incident angle and completely insensitive to the polarization. Finite PPC could be used for multichannel transmission filter without introducing any defect in the geometry. We show that the locations of the multichannel transmission peaks are in the allowed band of the infinite structure. The structure can work as a single or multichannel filter by varying the number of unit cells. Binary PPC can also work as a polarization sensitive tunable filter.« less

Specular, diffuse and polarized imagery of an oat canopy

NASA Technical Reports Server (NTRS)

Vanderbilt, Vern C.; De Venecia, Kurt J.

1988-01-01

Light, polarized by specular reflection, has been found to be an important part of the light scattered by several measured plant canopies. The authors investigate for one canopy the relative importance of specularly reflected sunlight, specularly reflected light from other sources including skylight, and diffusely upwelling light. Polarization images are used to gain increased understanding of the radiation transfer process in a plant canopy. Analysis of the results suggests that properly analyzed polarized remotely sensed data, acquired under specific atmospheric conditions by a specially designed sensor, potentially provide measures of physiological and morphological states of plants in a canopy.

Total teleportation of a single-photon state

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

Humble, Travis S; Bennink, Ryan S; Grice, Warren P

2008-01-01

Recent demonstrations of teleportation have transferred quantum information encoded into either polarization or field-quadrature degrees of freedom (DOFs), but an outstanding question is how to simultaneously teleport quantum information encoded into multiple DOFs. We describe how the transverse-spatial, spectral and polarization states of a single photon can be simultaneously teleported using a pair of multimode, polarization-entangled photons derived from spontaneous parametric down-conversion. Furthermore, when the initial photon pair is maximally entangled in the spatial, spectral, and polarization DOFs then the photon s full quantum state can be reliably teleported using a Bell-state measurement based on sum-frequency generation.

Spin accumulation in thin Cs salts on contact with optically polarized Cs vapor

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

Ishikawa, Kiyoshi

2011-09-15

The spin angular momentum accumulates in the Cs nuclei of salt on contact with optically pumped Cs vapor. The spin polarization in stable chloride as well as dissociative hydride indicates that nuclear dipole interaction works in spin transferring with a lesser role of atom exchange. In the solid film, not only the spin buildup but also the decay of enhanced polarization is faster than the thermal recovery rate for the bulk salt. Eliminating the signal of thick salt, we find that the nuclear spin polarization in the chloride film reaches over 100 times the thermal equilibrium.

Polarization momentum transfer collision: Faxen-Holtzmark theory and quantum dynamic shielding.

PubMed

Ki, Dae-Han; Jung, Young-Dae

2013-04-21

The influence of the quantum dynamic shielding on the polarization momentum transport collision is investigated by using the Faxen-Holtzmark theory in strongly coupled Coulomb systems. The electron-atom polarization momentum transport cross section is derived as a function of the collision energy, de Broglie wavelength, Debye length, thermal energy, and atomic quantum states. It is found that the dynamic shielding enhances the scattering phase shift as well as the polarization momentum transport cross section. The variation of quantum effect on the momentum transport collision due to the change of thermal energy and de Broglie wavelength is also discussed.

The physics of polarization

NASA Astrophysics Data System (ADS)

Landi Degl'Innocenti, Egidio

This course is intended to give a description of the basic physical concepts which underlie the study and the interpretation of polarization phenomena. Apart from a brief historical introduction (Sect. 1), the course is organized in three parts. A first part (Sects. 2 - 6) covers the most relevant facts about the polarization phenomena that are typically encountered in laboratory applications and in everyday life. In Sect. 2, the modern description of polarization in terms of the Stokes parameters is recalled, whereas Sect. 3 is devoted to introduce the basic tools of laboratory polarimetry, such as the Jones calculus and the Mueller matrices. The polarization phenomena which are met in the reflection and refraction of a beam of radiation at the separation surface between two dielectrics, or between a dielectric and a metal, are recalled in Sect. 4. Finally, Sect. 5 gives an introduction to the phenomena of dichroism and of anomalous dispersion and Sect. 6 summarizes the polarization phenomena that are commonly encountered in everyday life. The second part of this course (Sects. 7-14) deals with the description, within the formalism of classical physics, of the spectro-polarimetric properties of the radiation emitted by accelerated charges. Such properties are derived by taking as starting point the Liénard and Wiechert equations that are recalled and discussed in Sect. 7 both in the general case and in the non-relativistic approximation. The results are developed to find the percentage polarization, the radiation diagram, the cross-section and the spectral characteristics of the radiation emitted in different phenomena particularly relevant from the astrophysical point of view. The emission of a linear antenna is derived in Sect. 8. The other Sections are devoted to Thomson scattering (Sect. 9), Rayleigh scattering (Sect. 10), Mie scattering (Sect. 11), bremsstrahlung radiation (Sect. 12), cyclotron radiation (Sect. 13), and synchrotron radiation (Sect. 14). Finally, the third part (Sects. 15-19) is devoted to give a sketch of the theory of the generation and transfer of polarized radiation in spectral lines. After a general introduction to the argument (Sect. 15), the concepts of density-matrix and of atomic polarization are illustrated in Sect. 16. In Sect. 17, a parallelism is established, within the framework of the theory of stellar atmospheres, between the usual formalism, which neglects polarization phenomena, and the more involved formalism needed for the interpretation of spectro-polarimetric observations. Some consequences of the radiative transfer equations for polarized radiation, pointing to the importance of dichroism phenomena in establishing the amplification condition via stimulated emission, are discussed in Sect. 18. The last section (Sect. 19) is devoted to introduce the problem of finding a self-consistent solution of the radiative transfer equations for polarized radiation and of the statistical equilibrium equations for the density matrix (non-LTE of the 2nd kind).

Polarization transfer in the H2(e→,e'p→)n reaction up to Q2=1.61(GeV/c)2

NASA Astrophysics Data System (ADS)

Hu, B.; Jones, M. K.; Ulmer, P. E.; Arenhövel, H.; Baker, O. K.; Bertozzi, W.; Brash, E. J.; Calarco, J.; Chen, J.-P.; Chudakov, E.; Cochran, A.; Dumalski, S.; Ent, R.; M. Finn, J.; Garibaldi, F.; Gilad, S.; Gilman, R.; Glashausser, C.; Gomez, J.; Gorbenko, V.; Hansen, J.-O.; Hovebo, J.; Jager, C. W. De; Jeschonnek, S.; Jiang, X.; Keppel, C.; Klein, A.; Kozlov, A.; Kuhn, S.; Kumbartzki, G.; Kuss, M.; Lerose, J. J.; Liang, M.; Liyanage, N.; Lolos, G. J.; Markowitz, P. E. C.; Meekins, D.; Michaels, R.; Mitchell, J.; Papandreou, Z.; Perdrisat, C. F.; Punjabi, V.; Roche, R.; Rowntree, D.; Saha, A.; Strauch, S.; Todor, L.; Urciuoli, G.; Weinstein, L. B.; Wijesooriya, K.; Wojtsekhowski, B. B.; Woo, R.

2006-06-01

The recoil proton polarization was measured in the H2(e→,e'p→)n reaction in Hall A of the Thomas Jefferson National Accelerator Facility. The electron kinematics were centered on the quasielastic peak (xBj≈1) and included three values of the squared four-momentum transfer, Q2=0.43,1.00 and 1.61 (GeV/c)2. For Q2=0.43 and 1.61 (GeV/c)2, the missing momentum, pm, was centered at zero, whereas for Q2=1.00(GeV/c)2 two values of pm were chosen: 0 and 174MeV/c. At low pm, the Q2 dependence of the longitudinal polarization, Pz', is not well described by a state-of-the-art calculation. Further, at higher pm, a 3.5σ discrepancy was observed in the transverse polarization, Px'. Understanding the origin of these discrepancies is important to confidently extract the neutron electric form factor from the analogous H2(e→,e'n→)p experiment.

Optical manipulation and catalytic activity enhanced by surface plasmon effect

NASA Astrophysics Data System (ADS)

Zou, Ningmu; Min, Jiang; Jiao, Wenxiang; Wang, Guanghui

2017-02-01

For optical manipulation, a nano-optical conveyor belt consisting of an array of gold plasmonic non-concentric nano-rings (PNNRs) is demonstrated for the realization of trapping and unidirectional transportation of nanoparticles by polarization rotation of excitation beam. These hot spots of an asymmetric plasmonic nanostructure are polarization dependent, therefore, one can use the incident polarization state to manipulate the trapped targets. Trapped particles could be transferred between adjacent PNNRs in a given direction just by rotating the polarization of incident beam due to unbalanced potential. The angular dependent distribution of electric field around PNNR has been solved using the three- dimensional finite-difference time-domain (FDTD) technique. For optical enhanced catalytic activity, the spectral properties of dimers of Au nanorod-Au nanorod nanostructures under the excitation of 532nm photons have been investigated. With a super-resolution catalytic mapping technique, we identified the existence of "hot spot" in terms of catalytic reactivity at the gap region within the twined plasmonic nanostructure. Also, FDTD calculation has revealed an intrinsic correlation between hot electron transfer.

Spin-transfer torque in multiferroic tunnel junctions with composite dielectric/ferroelectric barriers

NASA Astrophysics Data System (ADS)

Velev, Julian P.; Merodio, Pablo; Pollack, Cesar; Kalitsov, Alan; Chshiev, Mairbek; Kioussis, Nicholas

2017-12-01

Using model calculations, we demonstrate a very high level of control of the spin-transfer torque (STT) by electric field in multiferroic tunnel junctions with composite dielectric/ferroelectric barriers. We find that, for particular device parameters, toggling the polarization direction can switch the voltage-induced part of STT between a finite value and a value close to zero, i.e. quench and release the torque. Additionally, we demonstrate that under certain conditions the zero-voltage STT, i.e. the interlayer exchange coupling, can switch sign with polarization reversal, which is equivalent to reversing the magnetic ground state of the tunnel junction. This bias- and polarization-tunability of the STT could be exploited to engineer novel functionalities such as softening/hardening of the bit or increasing the signal-to-noise ratio in magnetic sensors, which can have important implications for magnetic random access memories or for combined memory and logic devices.

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.

Effect of temperature on anodic behavior of 13Cr martensitic steel in CO2 environment

NASA Astrophysics Data System (ADS)

Zhao, G. X.; Zheng, M.; Lv, X. H.; Dong, X. H.; Li, H. L.

2005-04-01

The corrosion behavior of 13Cr martensitic stainless steel in a CO2 environment in a stimulated oilfield was studied with potentiodynamic polarization and the impedance spectra technique. The results showed that the microstructure of the surface scale clearly changed with temperature. This decreased the sensitivity of pitting corrosion and increased the tendency toward general (or uniform) corrosion. The capacitance, the charge transfer resistance, and the polarization resistance of the corrosion product scale decrease with increasing temperature from 90 to 120 °C, and thus the corrosion is a thermal activation controlled process. Charge transfer through the scale is difficult and the corrosion is controlled by a diffusion process at a temperature of 150 °C. Resistance charge transfer through the corrosion product layer is higher than that in the passive film.

(LaTiO3)n/(LaVO3)n as a model system for unconventional charge transfer and polar metallicity

NASA Astrophysics Data System (ADS)

Weng, Yakui; Zhang, Jun-Jie; Gao, Bin; Dong, Shuai

2017-04-01

At interfaces between oxide materials, lattice and electronic reconstructions always play important roles in exotic phenomena. In this study, the density functional theory and maximally localized Wannier functions are employed to investigate the (LaTiO3)n/(LaVO3)n magnetic superlattices. The electron transfer from Ti3 + to V3 + is predicted, which violates the intuitive band alignment based on the electronic structures of LaTiO3 and LaVO3. Such unconventional charge transfer quenches the magnetism of LaTiO3 layer mostly and leads to metal-insulator transition in the n =1 superlattice when the stacking orientation is altered. In addition, the compatibility among the polar structure, ferrimagnetism, and metallicity is predicted in the n =2 superlattice.

The variable polarity plasma arc welding process: Characteristics and performance

NASA Technical Reports Server (NTRS)

Hung, R. J.; Zhu, G. J.

1991-01-01

Significant advantages of the Variable Polarity Plasma Arc (VPPA) Welding Process include faster welding, fewer repairs, less joint preparation, reduced weldment distortion, and absence of porosity. The power distribution was analyzed for an argon plasma gas flow constituting the fluid in the VPPA Welding Process. The major heat loss at the torch nozzle is convective heat transfer; in the space between the outlet of the nozzle and the workpiece; radiative heat transfer; and in the keyhole in the workpiece, convective heat transfer. The power absorbed at the workpiece produces the molten puddle that solidifies into the weld bead. Crown and root widths, and crown and root heights of the weld bead are predicted. The basis is provided for an algorithm for automatic control of VPPA welding machine parameters to obtain desired weld bead dimensions.

A technique for measuring vertically and horizontally polarized microwave brightness temperatures using electronic polarization-basis rotation

NASA Technical Reports Server (NTRS)

Gasiewski, Albin J.

1992-01-01

This technique for electronically rotating the polarization basis of an orthogonal-linear polarization radiometer is based on the measurement of the first three feedhorn Stokes parameters, along with the subsequent transformation of this measured Stokes vector into a rotated coordinate frame. The technique requires an accurate measurement of the cross-correlation between the two orthogonal feedhorn modes, for which an innovative polarized calibration load was developed. The experimental portion of this investigation consisted of a proof of concept demonstration of the technique of electronic polarization basis rotation (EPBR) using a ground based 90-GHz dual orthogonal-linear polarization radiometer. Practical calibration algorithms for ground-, aircraft-, and space-based instruments were identified and tested. The theoretical effort consisted of radiative transfer modeling using the planar-stratified numerical model described in Gasiewski and Staelin (1990).

Performance Characterization of UV Science Cameras Developed for the Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP)

NASA Technical Reports Server (NTRS)

Champey, Patrick; Kobayashi, Ken; Winebarger, Amy; Cirtin, Jonathan; Hyde, David; Robertson, Bryan; Beabout, Brent; Beabout, Dyana; Stewart, Mike

2014-01-01

The NASA Marshall Space Flight Center (MSFC) has developed a science camera suitable for sub-orbital missions for observations in the UV, EUV and soft X-ray. Six cameras will be built and tested for flight with the Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP), a joint National Astronomical Observatory of Japan (NAOJ) and MSFC sounding rocket mission. The goal of the CLASP mission is to observe the scattering polarization in Lyman-alpha and to detect the Hanle effect in the line core. Due to the nature of Lyman-alpha polarization in the chromosphere, strict measurement sensitivity requirements are imposed on the CLASP polarimeter and spectrograph systems; science requirements for polarization measurements of Q/I and U/I are 0.1% in the line core. CLASP is a dual-beam spectro-polarimeter, which uses a continuously rotating waveplate as a polarization modulator, while the waveplate motor driver outputs trigger pulses to synchronize the exposures. The CCDs are operated in frame-transfer mode; the trigger pulse initiates the frame transfer, effectively ending the ongoing exposure and starting the next. The strict requirement of 0.1% polarization accuracy is met by using frame-transfer cameras to maximize the duty cycle in order to minimize photon noise. Coating the e2v CCD57-10 512x512 detectors with Lumogen-E coating allows for a relatively high (30%) quantum efficiency at the Lyman-$\\alpha$ line. The CLASP cameras were designed to operate with =10 e- /pixel/second dark current, = 25 e- read noise, a gain of 2.0 and =0.1% residual non-linearity. We present the results of the performance characterization study performed on the CLASP prototype camera; dark current, read noise, camera gain and residual non-linearity.

Performance Characterization of UV Science Cameras Developed for the Chromospheric Lyman-Alpha Spectro-Polarimeter

NASA Technical Reports Server (NTRS)

Champey, P.; Kobayashi, K.; Winebarger, A.; Cirtain, J.; Hyde, D.; Robertson, B.; Beabout, D.; Beabout, B.; Stewart, M.

2014-01-01

The NASA Marshall Space Flight Center (MSFC) has developed a science camera suitable for sub-orbital missions for observations in the UV, EUV and soft X-ray. Six cameras will be built and tested for flight with the Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP), a joint National Astronomical Observatory of Japan (NAOJ) and MSFC sounding rocket mission. The goal of the CLASP mission is to observe the scattering polarization in Lyman-alpha and to detect the Hanle effect in the line core. Due to the nature of Lyman-alpha polarization in the chromosphere, strict measurement sensitivity requirements are imposed on the CLASP polarimeter and spectrograph systems; science requirements for polarization measurements of Q/I and U/I are 0.1 percent in the line core. CLASP is a dual-beam spectro-polarimeter, which uses a continuously rotating waveplate as a polarization modulator, while the waveplate motor driver outputs trigger pulses to synchronize the exposures. The CCDs are operated in frame-transfer mode; the trigger pulse initiates the frame transfer, effectively ending the ongoing exposure and starting the next. The strict requirement of 0.1 percent polarization accuracy is met by using frame-transfer cameras to maximize the duty cycle in order to minimize photon noise. Coating the e2v CCD57-10 512x512 detectors with Lumogen-E coating allows for a relatively high (30 percent) quantum efficiency at the Lyman-alpha line. The CLASP cameras were designed to operate with 10 e-/pixel/second dark current, 25 e- read noise, a gain of 2.0 +/- 0.5 and 1.0 percent residual non-linearity. We present the results of the performance characterization study performed on the CLASP prototype camera; dark current, read noise, camera gain and residual non-linearity.

Photoinduced intramolecular charge transfer (ICT) reaction in trans-methyl p-(dimethylamino) cinnamate: A combined fluorescence measurement and quantum chemical calculations

NASA Astrophysics Data System (ADS)

Chakraborty, Amrita; Kar, Samiran; Guchhait, Nikhil

2006-01-01

The photophysical behaviour of trans-methyl p-(dimethylamino) cinnamate ( t-MDMAC) donor-acceptor system has been investigated by steady-state absorption and emission spectroscopy and quantum chemical calculations. The molecule t-MDMAC shows an emission from the locally excited state in non-polar solvents. In addition to weak local emission, a strong solvent dependent red shifted fluorescence in polar aprotic solvents is attributed to highly polar intramolecular charge transfer state. However, the formation of hydrogen-bonded clusters with polar protic solvents has been suggested from a linear correlation between the observed red shifted fluorescence band maxima with hydrogen bonding parameters ( α). Calculations by ab initio and density functional theory show that the lone pair electron at nitrogen center is out of plane of the benzene ring in the global minimum ground state structure. In the gas phase, a potential energy surface along the twist coordinate at the donor (-NMe 2) and acceptor (-CH = CHCOOMe) sites shows stabilization of S 1 state and destabilization S 2 and S 0 states. A similar potential energy calculation along the twist coordinate in acetonitrile solvent using non-equilibrium polarized continuum model also shows more stabilization of S 1 state relative to other states and supports solvent dependent red shifted emission properties. In all types of calculations it is found that the nitrogen lone pair is delocalized over the benzene ring in the global minimum ground state and is localized on the nitrogen centre at the 90° twisted configuration. The S 1 energy state stabilization along the twist coordinate at the donor site and localized nitrogen lone pair at the perpendicular configuration support well the observed dual fluorescence in terms of proposed twisted intramolecular charge transfer (TICT) model.

Free energy functionals for polarization fluctuations: Pekar factor revisited

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

Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parametermore » accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found for the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).« less

Free energy functionals for polarization fluctuations: Pekar factor revisited

DOE PAGES

Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

2017-02-13

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parametermore » accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found for the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).« less

Free energy functionals for polarization fluctuations: Pekar factor revisited.

PubMed

Dinpajooh, Mohammadhasan; Newton, Marshall D; Matyushov, Dmitry V

2017-02-14

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar's perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

Real-time imaging of spin-to-orbital angular momentum hybrid remote state preparation

NASA Astrophysics Data System (ADS)

Erhard, Manuel; Qassim, Hammam; Mand, Harjaspreet; Karimi, Ebrahim; Boyd, Robert W.

2015-08-01

There exists two prominent methods to transfer information between two spatially separated parties, namely Alice (A) and Bob (B): quantum teleportation and remote state preparation. However, the difference between these methods is, in the teleportation scheme, the state to be transferred is completely unknown, whereas in state preparation it should be known to the sender. In addition, photonic state teleportation is probabilistic due to the impossibility of performing a two-particle complete Bell-state analysis with linear optics, while remote state preparation can be performed deterministically. Here we report the first realization of photonic hybrid remote state preparation from spin to orbital angular momentum degrees of freedom. In our scheme, the polarization state of photon A is transferred to orbital angular momentum of photon B. The prepared states are visualized in real time by means of an intensified CCD camera. The quality of the prepared states is verified by performing quantum state tomography, which confirms an average fidelity higher than 99.4%. We believe that this experiment paves the way towards a novel means of quantum communication in which encryption and decryption are carried out in naturally different Hilbert spaces, and therefore may provide a means for enhancing security.

Triplet-triplet energy transfer between luminescent probes bound to albumins

NASA Astrophysics Data System (ADS)

Mel'Nikov, A. G.; Saletskii, A. M.; Kochubey, V. I.; Pravdin, A. B.; Kurchatov, I. S.; Mel'Nikov, G. V.

2010-08-01

The interaction of polar and nonpolar luminescent probes with human blood serum albumins is studied by absorption and luminescence spectroscopy. It is found that the probes (polar eosin and nonpolar anthracene) can efficiently bind to proteins. The radii of the quenching spheres of energy-donor (eosin) triplet states in the presence of an acceptor (anthracene) in the process of the triplet-triplet energy transfer in proteins are determined for homogeneous and inhomogeneous distributions of acceptor molecules over the solution volume. It is shown that a decrease in the radius of the quenching sphere observed upon the addition of sodium dodecylsulfate surfactant is caused by structural changes in the protein.

(LaTiO3)n/(LaVO3)n as a model system for unconventional charge transfer and polar metallicity

NASA Astrophysics Data System (ADS)

Weng, Yakui; Zhang, Jun-Jie; Gao, Bin; Dong, Shuai

At interfaces between oxide materials, lattice and electronic reconstructions always play important roles in exotic phenomena. In this study, the density-functional theory and maximally localized Wannier functions are employed to investigate the (LaTiO3)n/(LaVO3)n magnetic superlattices. By considering lattice distortion and dimensional effect, many interesting interfacial physics have been found in the n = 1 superlattice, e.g. magnetic phase transition, unconventional charge transfer, and metal-insulator transition. In addition, the compatibility among the polar structure, ferrimagnetism, and metallicity is predicted in the n = 2 superlattice.

Tunable Holstein model with cold polar molecules

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

Herrera, Felipe; Krems, Roman V.

2011-11-15

We show that an ensemble of polar molecules trapped in an optical lattice can be considered as a controllable open quantum system. The coupling between collective rotational excitations and the motion of the molecules in the lattice potential can be controlled by varying the strength and orientation of an external dc electric field as well as the intensity of the trapping laser. The system can be described by a generalized Holstein Hamiltonian with tunable parameters and can be used as a quantum simulator of excitation energy transfer and polaron phenomena. We show that the character of excitation energy transfer canmore » be modified by tuning experimental parameters.« less

Influence of Sulfate-Reducing Bacteria on the Corrosion Behavior of High Strength Steel EQ70 under Cathodic Polarization

PubMed Central

Guan, Fang; Zhai, Xiaofan; Duan, Jizhou; Zhang, Meixia; Hou, Baorong

2016-01-01

Certain species of sulfate-reducing bacteria (SRB) use cathodes as electron donors for metabolism, and this electron transfer process may influence the proper protection potential choice for structures. The interaction between SRB and polarized electrodes had been the focus of numerous investigations. In this paper, the impact of cathodic protection (CP) on Desulfovibrio caledoniens metabolic activity and its influence on highs trength steel EQ70 were studied by bacterial analyses and electrochemical measurements. The results showed that EQ70 under -0.85 VSCE CP had a higher corrosion rate than that without CP, while EQ70 with -1.05 VSCE had a lower corrosion rate. The enhanced SRB metabolic activity at -0.85 VSCE was most probably caused by the direct electron transfer from the electrode polarized at -0.85 VSCE. This direct electron transfer pathway was unavailable in -1.05 VSCE. In addition, the application of cathodic protection led to the transformation of sulfide rusts into carbonates rusts. These observations have been employed to provide updated recommendations for the optimum CP potential for steel structures in the presence of SRB. PMID:27603928

Measuring absolute spin polarization in dissolution-DNP by Spin PolarimetrY Magnetic Resonance (SPY-MR).

PubMed

Vuichoud, Basile; Milani, Jonas; Chappuis, Quentin; Bornet, Aurélien; Bodenhausen, Geoffrey; Jannin, Sami

2015-11-01

Dynamic nuclear polarization at 1.2 K and 6.7 T allows one to achieve spin temperatures on the order of a few millikelvin, so that the high-temperature approximation (ΔE

Mapping the local organization of cell membranes using excitation-polarization-resolved confocal fluorescence microscopy.

PubMed

Kress, Alla; Wang, Xiao; Ranchon, Hubert; Savatier, Julien; Rigneault, Hervé; Ferrand, Patrick; Brasselet, Sophie

2013-07-02

Fluorescence anisotropy and linear dichroism imaging have been widely used for imaging biomolecular orientational distributions in protein aggregates, fibrillar structures of cells, and cell membranes. However, these techniques do not give access to complete orientational order information in a whole image, because their use is limited to parts of the sample where the average orientation of molecules is known a priori. Fluorescence anisotropy is also highly sensitive to depolarization mechanisms such as those induced by fluorescence energy transfer. A fully excitation-polarization-resolved fluorescence microscopy imaging that relies on the use of a tunable incident polarization and a nonpolarized detection is able to circumvent these limitations. We have developed such a technique in confocal epifluorescence microscopy, giving access to new regions of study in the complex and heterogeneous molecular organization of cell membranes. Using this technique, we demonstrate morphological changes at the subdiffraction scale in labeled COS-7 cell membranes whose cytoskeleton is perturbed. Molecular orientational order is also seen to be affected by cholesterol depletion, reflecting the strong interplay between lipid-packing regions and their nearby cytoskeleton. This noninvasive optical technique can reveal local organization in cell membranes when used as a complement to existing methods such as generalized polarization. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Production and NMR signal optimization of hyperpolarized 13C-labeled amino acids

NASA Astrophysics Data System (ADS)

Parish, Christopher; Niedbalski, Peter; Ferguson, Sarah; Kiswandhi, Andhika; Lumata, Lloyd

Amino acids are targeted nutrients for consumption by cancers to sustain their rapid growth and proliferation. 13C-enriched amino acids are important metabolic tracers for cancer diagnostics using nuclear magnetic resonance (NMR) spectroscopy. Despite this diagnostic potential, 13C NMR of amino acids however is hampered by the inherently low NMR sensitivity of the 13C nuclei. In this work, we have employed a physics technique known as dynamic nuclear polarization (DNP) to enhance the NMR signals of 13C-enriched amino acids. DNP works by transferring the high polarization of electrons to the nuclear spins via microwave irradiation at low temperature and high magnetic field. Using a fast dissolution method in which the frozen polarized samples are dissolved rapidly with superheated water, injectable solutions of 13C-amino acids with highly enhanced NMR signals (by at least 5,000-fold) were produced at room temperature. Factors that affect the NMR signal enhancement levels such as the choice of free radical polarizing agents and sample preparation will be discussed along with the thermal mixing physics model of DNP. The authors would like to acknowledge the support by US Dept of Defense Award No. W81XWH-14-1-0048 and Robert A. Welch Foundation Grant No. AT-1877.

Research on polarization imaging information parsing method

NASA Astrophysics Data System (ADS)

Yuan, Hongwu; Zhou, Pucheng; Wang, Xiaolong

2016-11-01

Polarization information parsing plays an important role in polarization imaging detection. This paper focus on the polarization information parsing method: Firstly, the general process of polarization information parsing is given, mainly including polarization image preprocessing, multiple polarization parameters calculation, polarization image fusion and polarization image tracking, etc.; And then the research achievements of the polarization information parsing method are presented, in terms of polarization image preprocessing, the polarization image registration method based on the maximum mutual information is designed. The experiment shows that this method can improve the precision of registration and be satisfied the need of polarization information parsing; In terms of multiple polarization parameters calculation, based on the omnidirectional polarization inversion model is built, a variety of polarization parameter images are obtained and the precision of inversion is to be improve obviously; In terms of polarization image fusion , using fuzzy integral and sparse representation, the multiple polarization parameters adaptive optimal fusion method is given, and the targets detection in complex scene is completed by using the clustering image segmentation algorithm based on fractal characters; In polarization image tracking, the average displacement polarization image characteristics of auxiliary particle filtering fusion tracking algorithm is put forward to achieve the smooth tracking of moving targets. Finally, the polarization information parsing method is applied to the polarization imaging detection of typical targets such as the camouflage target, the fog and latent fingerprints.

SAFETY AND EFFICIENCY OF MODULATING PARACELLULAR PERMEABILITY TO ENHANCE AIRWAY EPITHELIAL GENE TRANSFER IN VIVO

EPA Science Inventory

ABSTRACT

We evaluated the safety of agents that enhance gene transfer by modulating paracellular permeability. Lactate dehydrogenase (LDH) and cytokine release were measured in polarized primary human airway epithelial (HAE) cells after luminal application of vehicle, ...

The polar 2e/12c bond in phenalenyl-azaphenalenyl hetero-dimers: Stronger stacking interaction and fascinating interlayer charge transfer

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

Zhong, Rong-Lin; Li, Zhi-Ru, E-mail: hlxu@nenu.edu.cn, E-mail: lzr@jlu.edu.cn; Xu, Hong-Liang, E-mail: hlxu@nenu.edu.cn, E-mail: lzr@jlu.edu.cn

An increasing number of chemists have focused on the two-electron/multicenter bond (2e/mc) that was first introduced to interpret the bonding mechanism of radical dimers. Herein, we report the polar two-electron/twelve center (2e/12c) bonding character in a series of phenalenyl-azaphenalenyl radical hetero-dimers. Interestingly, the bonding energy of weaker polar hetero-dimer (P-TAP) is dominated by the overlap of the two different singly occupied molecular orbital of radicals, while that of stronger polar hetero-dimer (P-HAP) is dominated by the electrostatic attraction. Results show that the difference between the electronegativity of the monomers plays a prominent role in the essential attribution of the polarmore » 2e/12c bond. Correspondingly, a stronger stacking interaction in the hetero-dimer could be effectively achieved by increasing the difference of nitrogen atoms number between the monomers. It is worthy of note that an interesting interlayer charge transfer character is induced in the polar hetero-dimers, which is dependent on the difference between the electronegativity of the monomers. It is our expectation that the new knowledge about the bonding nature of radical hetero-dimers might provide important information for designing radical based functional materials with various applications.« less

Observation of ultralong valley lifetime in WSe 2/MoS 2 heterostructures

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

Kim, Jonghwan; Jin, Chenhao; Chen, Bin

The valley degree of freedom in two-dimensional (2D) crystals recently emerged as a novel information carrier in addition to spin and charge. The intrinsic valley lifetime in 2D transition metal dichalcogenides (TMD) is expected to be markedly long due to the unique spin-valley locking behavior, where the intervalley scattering of the electron simultaneously requires a large momentum transfer to the opposite valley and a flip of the electron spin. However, the experimentally observed valley lifetime in 2D TMDs has been limited to tens of nanoseconds thus far. We report efficient generation of microsecond-long-lived valley polarization in WSe 2/MoS 2 heterostructuresmore » by exploiting the ultrafast charge transfer processes in the heterostructure that efficiently creates resident holes in the WSe 2 layer. These valley-polarized holes exhibit near-unity valley polarization and ultralong valley lifetime: We observe a valley-polarized hole population lifetime of more than 1 μs and a valley depolarization lifetime (that is, intervalley scattering lifetime) of more than 40 μs at 10 K. The near-perfect generation of valley-polarized holes in TMD heterostructures, combined with ultralong valley lifetime, which is orders of magnitude longer than previous results, opens up new opportunities for novel valleytronics and spintronics applications.« less

Observation of ultralong valley lifetime in WSe 2/MoS 2 heterostructures

DOE PAGES

Kim, Jonghwan; Jin, Chenhao; Chen, Bin; ...

2017-07-26

The valley degree of freedom in two-dimensional (2D) crystals recently emerged as a novel information carrier in addition to spin and charge. The intrinsic valley lifetime in 2D transition metal dichalcogenides (TMD) is expected to be markedly long due to the unique spin-valley locking behavior, where the intervalley scattering of the electron simultaneously requires a large momentum transfer to the opposite valley and a flip of the electron spin. However, the experimentally observed valley lifetime in 2D TMDs has been limited to tens of nanoseconds thus far. We report efficient generation of microsecond-long-lived valley polarization in WSe 2/MoS 2 heterostructuresmore » by exploiting the ultrafast charge transfer processes in the heterostructure that efficiently creates resident holes in the WSe 2 layer. These valley-polarized holes exhibit near-unity valley polarization and ultralong valley lifetime: We observe a valley-polarized hole population lifetime of more than 1 μs and a valley depolarization lifetime (that is, intervalley scattering lifetime) of more than 40 μs at 10 K. The near-perfect generation of valley-polarized holes in TMD heterostructures, combined with ultralong valley lifetime, which is orders of magnitude longer than previous results, opens up new opportunities for novel valleytronics and spintronics applications.« less

3D Radiative Transfer Code for Polarized Scattered Light with Aligned Grains

NASA Astrophysics Data System (ADS)

Pelkonen, V. M.; Penttilä, A.; Juvela, M.; Muinonen, K.

2017-12-01

Polarized scattered light has been observed in cometary comae and in circumstellar disks. It carries information about the grains from which the light scattered. However, modelling polarized scattered light is a complicated problem. We are working on a 3D Monte Carlo radiative transfer code which incorporates hierarchical grid structure (octree) and the full Stokes vector for both the incoming radiation and the radiation scattered by dust grains. In octree grid format an upper level cell can be divided into 8 subcells by halving the cell in each of the three axis. Levels of further refinement of the grid may be added, until the desired resolution is reached. The radiation field is calculated with Monte Carlo methods. The path of the model ray is traced in the cloud: absorbed intensity is counted in each cell, and from time to time, the model ray is scattered towards a new direction as determined by the dust model. Due to the non-spherical grains and the polarization, the scattering problem will be the main issue for the code and most time consuming. The scattering parameters will be taken from the models for individual grains. We can introduce populations of different grain shapes into the dust model, and randomly select, based on their amounts, from which shape the model ray scatters. Similarly, we can include aligned and non-aligned subpopulations of these grains, based on the grain alignment calculations, to see which grains should be oriented with the magnetic field, or, in the absence of a magnetic field close to the comet nucleus, with another axis of alignment (e.g., the radiation direction). The 3D nature of the grid allows us to assign these values, as well as density, for each computational cell, to model phenomena like e.g., cometary jets. The code will record polarized scattered light towards one or more observer directions within a single simulation run. These results can then be compared with the observations of comets at different phase angles, or, in the case of other star systems, of circumstellar disks, to help us study these objects. We will present tests of the code in development with simple models.

Nonhydrostatic thermohaline convection in the polar oceans

NASA Astrophysics Data System (ADS)

Potts, Mark Allen

Sea ice cover in the polar and sub-polar seas is an important and sensitive component of the Earth's climate system. It mediates the transfer of heat and momentum between the ocean and the atmosphere in high latitude oceans. Where open patches occur in the ice cover a large transfer of heat from the ocean to the atmosphere occurs that accounts for a large fraction of energy exchange between the wintertime polar ocean and atmosphere. Although the circumstances under which leads and polynyas form are considerably different, similar brine driven convection occurs under both. Convection beneath freezing ice in leads and polynyas can be modeled using either the hydrostatic or nonhydrostatic form of the governing equations. One important question is the degree of nonhydrostaticity, which depends on the vertical accelerations present. This issue is addressed through the application of a nonhydrostatic model, with accurate treatment of the turbulent mixing. The results suggest that mixing and re-freezing considerably modify the fluid dynamical processes underneath, such as the periodic shedding of saline plumes. It also appears that overall, the magnitude of the nonhydrostaticity is small, and hydrostatic models are generally adequate to deal with the problem of convection under leads. Strong wintertime cooling drives deep convection in sub-polar seas and in the coastal waters surrounding Antarctica. Deep convection results in formation of deep water in the global oceans, which is of great importance to the maintenance of the stratification of its deep interior, and the resulting meridional circulation is central to the Earth's climatic state. Deep convection falls into two general categories: open ocean deep convection, which occurs in deep stretches of the high latitude seas far from topographical influences, and convection on or near the continental shelves, where topography exerts a considerable influence. Nonhydrostatic models are central to the study of deep convection, but the presence of the bottom leads to significant complications in shallower waters. This issue of deep convection in the presence of topography is addressed for the first time with a non-hydrostatic model through the adaptation of the virtual boundary method and used to simulate convection over the Mertz Glacier polynya in the Antarctic in both two and three dimensions.

Self-organization of the climate system: Synchronized polar and oceanic teleconnections

NASA Astrophysics Data System (ADS)

Reischmann, Elizabeth Piccard

Synchronization is a widespread phenomenon in nonlinear, physical systems. It describes the phenomena of two or more weakly interacting, nonlinear oscillators adjust their natural frequencies until they come into phase and frequency lock. This behavior has been observed in biological, chemical and electronic systems, including neurons, fireflies, and computers, but has not been widely studied in climate. This thesis presents a study of several major examples of synchronized climatic systems, starting with ice age timings seemingly caused by the global climate's gradual synchronization to the Earth's 413kyr orbital eccentricity band, which may be responsible for the shift of ice age timings and amplitudes at the Mid-Pleistocene transition. The focus of the thesis, however, is centered the second major example of stable synchronization in the climate system: the continuous, 90 degree phase relationship of the polar climate signals for the entirety of the available ice record. The existence of a relationship between polar climates has been widely observed since ice core proxies became available in both Greenland and Antarctica. However, my work focuses on refining this phase relationship, utilizing it's linear nature to apply deconvolution and establish an energy transfer function. This transfer function shows a distinctly singular frequency, suggesting that climate signal is predominately communicated north to south with a period of 1.6kyrs. This narrows down possible mechanisms of polar connection dramatically, and is further investigated via a collection of intermediate proxy datasets and a set of more contemporary, synchronized, sea surface temperature dipoles. While the former fails to show any strong indication of the nature of the polar signal due in part to the overwhelming uncertainties present on the centennial and millennial scales, the latter demonstrates a large set of synchronized climate oscillations exist, communicate in a variety of networks, and have a direct connection to larger climate patterns (in this case, precipitation anomalies). Overall, this thesis represents a clear advance in our understanding of global climate dynamics, presents a new method of climate time series analysis, evidence of 16, stable, synchronized sea surface temperature dipoles, and provides a detailed sediment core database with explanations of age model limitations for future investigation.

Statistical properties of the polarized emission of Planck Galactic cold clumps

NASA Astrophysics Data System (ADS)

Ristorcelli, Isabelle; Planck Collaboration

2015-08-01

The Galactic magnetic fields are considered as one of the key components regulating star formation, but their actual role on the dense cores formation and evolution remains today an open question.Dust polarized continuum emission is particularly well suited to probe the dense and cold medium and study the magnetic field structure. Such observations also provide tight constraints to better understand the efficiency of the dust alignment along the magnetic field lines, which in turn relate on our grasp to properly interpret the B-field properties.With the Planck all-sky survey of dust submillimeter emission in intensity and polarization, we can investigate the intermediate scales, between that of molecular cloud and of prestellar cores, and perform a statistical analysis on the polarization properties of cold clumps.Combined with the IRAS map at 100microns, the Planck survey has allowed to build the first all-sky catalogue of Galactic Cold Clumps (PGCC, Planck 2015 results XXVIII 2015). The corresponding 13188 sources cover a broad range in physical properties, and correspond to different evolutionary stages, from cold and starless clumps, nearby cores, to young protostellar objects still embedded in their cold surrounding cloud.I will present the main results of our polarization analysis obtained on different samples of sources from the PGCC catalogue, based on the 353GHz polarized emission measured with Planck. The statistical properties are derived from a stacking method, using optimized estimators for the polarization fraction and angle parameters. These properties are determined and compared according to the nature of the sources (starless or YSOs), their size or density range. Finally, I will present a comparison of our results with predictions from MHD simulations of clumps including radiative transfer and the dust radiative torque alignment mechanism.

Polarized electronic spectra for the crystals of three compounds, potassium tetrabromoplatinate(II) dihydrate, tetraethylammonium hexabromodiplatinate(II), and tetra-μ-glycine-dimolybdenum (II) sulfate tetrahydrate

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

Peters, Timothy Joseph

1977-06-01

The polarized absorption spectra for K 2PtBr 4 . 2H 2O, (N(C 2H 5) 4) 2PtBr 6, and Mo 2(O 2CCH 2NH 3) 4(SO 4) 2 . 4H 2O have been recorded at 300 and 15/sup 0/K. In K 2PtBr 4 . 2H 2O the bands at 24,000 and 27,000 cm -1 in both a- and b-polarizations appear to be vibronically induced. The energy spacing of the vibrational structure was noted to be somewhat higher at 180 cm -1 than for the analogous structure of K 2PtBr 4. The presence of a Pt 2Br 6 -2 impurity gave rise tomore » red sections, which evidently were due to the electron transfer, Pt(IV)/reverse arrow/Pt(II), occurring in c-polarization. Very weak spin-forbidden bands were observable in all three polarizations below 23,500 cm -1. In the crystal spectra of (N(C 2H 5) 4) 2Pt 2Br 6 the transitions were defined with respect to the three molecular axes of the Pt 2Br 6 -2 ion. Excited states were assigned under the D 2sub h/ point group symmetry of the ion. The delocalization of the d electrons gave rise to strongly enhanced intensities for both spin-forbidden and spin-allowed d/reverse arrow/d transitions. The M/reverse arrow/L charge-transfer transitions occur at lower energies in the case of Pt 2Br 6 -2 than in PtBr 4 -2. These charge transfer transitions were found from the polarizations to originate from the terminal bromides. The crystal spectra of Mo 2(O 2CCH 2NH 3) 4(SO 4) 2 . 4H 2O were recorded through the region 20,000 - 25,000 cm -1. The spectra at 15K revealed the vibrational structure in the two recorded polarizations. The electronic transition observed in these spectra was forbidden under the local symmetry of D 4h.« less

Martian Radiative Transfer Modeling Using the Optimal Spectral Sampling Method

NASA Technical Reports Server (NTRS)

Eluszkiewicz, J.; Cady-Pereira, K.; Uymin, G.; Moncet, J.-L.

2005-01-01

The large volume of existing and planned infrared observations of Mars have prompted the development of a new martian radiative transfer model that could be used in the retrievals of atmospheric and surface properties. The model is based on the Optimal Spectral Sampling (OSS) method [1]. The method is a fast and accurate monochromatic technique applicable to a wide range of remote sensing platforms (from microwave to UV) and was originally developed for the real-time processing of infrared and microwave data acquired by instruments aboard the satellites forming part of the next-generation global weather satellite system NPOESS (National Polarorbiting Operational Satellite System) [2]. As part of our on-going research related to the radiative properties of the martian polar caps, we have begun the development of a martian OSS model with the goal of using it to perform self-consistent atmospheric corrections necessary to retrieve caps emissivity from the Thermal Emission Spectrometer (TES) spectra. While the caps will provide the initial focus area for applying the new model, it is hoped that the model will be of interest to the wider Mars remote sensing community.

Spectroscopic and thermal investigations of charge-transfer complexes formed between sulfadoxine drug and different types of acceptors

NASA Astrophysics Data System (ADS)

Refat, Moamen S.

2011-01-01

Charge-transfer reactions between sulfadoxine (SDOX) as a donor with iodine (I 2), 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), p-chloranil (CHL) and picric acid (PA) have been studied in solid and solution forms. The stoichiometry of all complexes was found to be 1:1 by molar ratio method between donor and acceptor at a CT-band absorption bands. The data are discussed in terms of formation constant ( KCT), molar extinction coefficient ( ɛCT), standard free energy (Δ Go), oscillator strength (ƒ), transition dipole moment ( μ), resonance energy ( RN) and ionization potential ( ID). The results indicate that the formation constant ( KCT) for the complexes were shown to be dependent upon the nature of electron acceptor, donor and polarity of solvents which were used. IR, 1H NMR and UV-Vis spectroscopic techniques, Elemental analyses (CHN) and TG-DTG investigation were used to characterize the four sulfadoxine charge-transfer complexes.

Current driven dynamics of magnetic domain walls in permalloy nanowires

NASA Astrophysics Data System (ADS)

Hayashi, Masamitsu

The significant advances in micro-fabrication techniques opened the door to access interesting properties in solid state physics. With regard to magnetic materials, geometrical confinement of magnetic structures alters the defining parameters that govern magnetism. For example, development of single domain nano-pillars made from magnetic multilayers led to the discovery of electrical current controlled magnetization switching, which revealed the existence of spin transfer torque. Magnetic domain walls (DWs) are boundaries in magnetic materials that divide regions with distinct magnetization directions. DWs play an important role in the magnetization reversal processes of both bulk and thin film magnetic materials. The motion of DW is conventionally controlled by magnetic fields. Recently, it has been proposed that spin polarized current passed across the DW can also control the motion of DWs. Current in most magnetic materials is spin-polarized, due to spin-dependent scattering of the electrons, and thus can deliver spin angular momentum to the DW, providing a "spin transfer" torque on the DW which leads to DW motion. In addition, owing to the development of micro-fabrication techniques, geometrical confinement of magnetic materials enables creation and manipulation of a "single" DW in magnetic nanostructures. New paradigms for DW-based devices are made possible by the direct manipulation of DWs using spin polarized electrical current via spin transfer torque. This dissertation covers research on current induced DW motion in magnetic nanowires. Fascinating effects arising from the interplay between DWs with spin polarized current will be revealed.

A Ca2+-dependent remodelled actin network directs vesicle trafficking to build wall ingrowth papillae in transfer cells.

PubMed

Zhang, Hui-Ming; Colyvas, Kim; Patrick, John W; Offler, Christina E

2017-10-13

The transport function of transfer cells is conferred by an enlarged plasma membrane area, enriched in nutrient transporters, that is supported on a scaffold of wall ingrowth (WI) papillae. Polarized plumes of elevated cytosolic Ca2+ define loci at which WI papillae form in developing adaxial epidermal transfer cells of Vicia faba cotyledons that are induced to trans-differentiate when the cotyledons are placed on culture medium. We evaluated the hypothesis that vesicle trafficking along a Ca2+-regulated remodelled actin network is the mechanism that underpins this outcome. Polarized to the outer periclinal cytoplasm, a Ca2+-dependent remodelling of long actin bundles into short, thin bundles was found to be essential for assembling WI papillae but not the underlying uniform wall layer. The remodelled actin network directed polarized vesicle trafficking to sites of WI papillae construction, and a pharmacological study indicated that both exo- and endocytosis contributed to assembly of the papillae. Potential candidates responsible for the Ca2+-dependent actin remodelling, along with those underpinning polarized exo- and endocyotosis, were identified in a transcriptome RNAseq database generated from the trans-differentiating epidermal cells. Of most significance, endocytosis was controlled by up-regulated expression of a dynamin-like isoform. How a cycle of localized exo- and endocytosis, regulated by Ca2+-dependent actin remodelling, assembles WI papillae is discussed. © The Author 2017. Published by Oxford University Press on behalf of the Society for Experimental Biology.

A nanoparticle catalyst for heterogeneous phase para-hydrogen-induced polarization in water.

PubMed

Glöggler, Stefan; Grunfeld, Alexander M; Ertas, Yavuz N; McCormick, Jeffrey; Wagner, Shawn; Schleker, P Philipp M; Bouchard, Louis-S

2015-02-16

Para-hydrogen-induced polarization (PHIP) is a technique capable of producing spin polarization at a magnitude far greater than state-of-the-art magnets. A significant application of PHIP is to generate contrast agents for biomedical imaging. Clinically viable and effective contrast agents not only require high levels of polarization but heterogeneous catalysts that can be used in water to eliminate the toxicity impact. Herein, we demonstrate the use of Pt nanoparticles capped with glutathione to induce heterogeneous PHIP in water. The ligand-inhibited surface diffusion on the nanoparticles resulted in a (1) H polarization of P=0.25% for hydroxyethyl propionate, a known contrast agent for magnetic resonance angiography. Transferring the (1) H polarization to a (13) C nucleus using a para-hydrogen polarizer yielded a polarization of 0.013%. The nuclear-spin polarizations achieved in these experiments are the first reported to date involving heterogeneous reactions in water. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An iterative phase-space explicit discontinuous Galerkin method for stellar radiative transfer in extended atmospheres

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

de Almeida, Valmor F.

In this work, a phase-space discontinuous Galerkin (PSDG) method is presented for the solution of stellar radiative transfer problems. It allows for greater adaptivity than competing methods without sacrificing generality. The method is extensively tested on a spherically symmetric, static, inverse-power-law scattering atmosphere. Results for different sizes of atmospheres and intensities of scattering agreed with asymptotic values. The exponentially decaying behavior of the radiative field in the diffusive-transparent transition region, and the forward peaking behavior at the surface of extended atmospheres were accurately captured. The integrodifferential equation of radiation transfer is solved iteratively by alternating between the radiative pressure equationmore » and the original equation with the integral term treated as an energy density source term. In each iteration, the equations are solved via an explicit, flux-conserving, discontinuous Galerkin method. Finite elements are ordered in wave fronts perpendicular to the characteristic curves so that elemental linear algebraic systems are solved quickly by sweeping the phase space element by element. Two implementations of a diffusive boundary condition at the origin are demonstrated wherein the finite discontinuity in the radiation intensity is accurately captured by the proposed method. This allows for a consistent mechanism to preserve photon luminosity. The method was proved to be robust and fast, and a case is made for the adequacy of parallel processing. In addition to classical two-dimensional plots, results of normalized radiation intensity were mapped onto a log-polar surface exhibiting all distinguishing features of the problem studied.« less

An iterative phase-space explicit discontinuous Galerkin method for stellar radiative transfer in extended atmospheres

DOE PAGES

de Almeida, Valmor F.

2017-04-19

In this work, a phase-space discontinuous Galerkin (PSDG) method is presented for the solution of stellar radiative transfer problems. It allows for greater adaptivity than competing methods without sacrificing generality. The method is extensively tested on a spherically symmetric, static, inverse-power-law scattering atmosphere. Results for different sizes of atmospheres and intensities of scattering agreed with asymptotic values. The exponentially decaying behavior of the radiative field in the diffusive-transparent transition region, and the forward peaking behavior at the surface of extended atmospheres were accurately captured. The integrodifferential equation of radiation transfer is solved iteratively by alternating between the radiative pressure equationmore » and the original equation with the integral term treated as an energy density source term. In each iteration, the equations are solved via an explicit, flux-conserving, discontinuous Galerkin method. Finite elements are ordered in wave fronts perpendicular to the characteristic curves so that elemental linear algebraic systems are solved quickly by sweeping the phase space element by element. Two implementations of a diffusive boundary condition at the origin are demonstrated wherein the finite discontinuity in the radiation intensity is accurately captured by the proposed method. This allows for a consistent mechanism to preserve photon luminosity. The method was proved to be robust and fast, and a case is made for the adequacy of parallel processing. In addition to classical two-dimensional plots, results of normalized radiation intensity were mapped onto a log-polar surface exhibiting all distinguishing features of the problem studied.« less

Proton triggered circularly polarized luminescence in orthogonal- and co-assemblies of chiral gelators with achiral perylene bisimide.

PubMed

Han, Dongxue; Han, Jianlei; Huo, Shengwei; Qu, Zuoming; Jiao, Tifeng; Liu, Minghua; Duan, Pengfei

2018-05-29

The orthogonal- or co-assembly of achiral perylene bisimide (PBI) with chiral gelators can be regulated by solvents. While the coassembly leads to the formation of chiroptical nanofibers through chirality transfer, the orthogonal assemblies could not. Moreover, protonation on the coassembled nanofibers could light up the circularly polarized luminescence (CPL).

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

DOE PAGES

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J.; ...

2017-06-27

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2(formate) 4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2, even including corrections for the dispersion forces. In contrast, a multireferencemore » wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.« less

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks.

PubMed

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J; Gagliardi, Laura; Smit, Berend

2017-07-20

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper-CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2 (formate) 4 . We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2 , even including corrections for the dispersion forces. In contrast, a multireference wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller-Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

PubMed Central

2017-01-01

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate)2 and dicopper Cu2(formate)4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO2, even including corrections for the dispersion forces. In contrast, a multireference wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems. PMID:28751926

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

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

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J.

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2(formate) 4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2, even including corrections for the dispersion forces. In contrast, a multireferencemore » wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.« less

Methods for Dichoptic Stimulus Presentation in Functional Magnetic Resonance Imaging - A Review

PubMed Central

Choubey, Bhaskar; Jurcoane, Alina; Muckli, Lars; Sireteanu, Ruxandra

2009-01-01

Dichoptic stimuli (different stimuli displayed to each eye) are increasingly being used in functional brain imaging experiments using visual stimulation. These studies include investigation into binocular rivalry, interocular information transfer, three-dimensional depth perception as well as impairments of the visual system like amblyopia and stereodeficiency. In this paper, we review various approaches of displaying dichoptic stimulus used in functional magnetic resonance imaging experiments. These include traditional approaches of using filters (red-green, red-blue, polarizing) with optical assemblies as well as newer approaches of using bi-screen goggles. PMID:19526076

Polarizable atomistic calculation of site energy disorder in amorphous Alq3.

PubMed

Nagata, Yuki

2010-02-01

A polarizable molecular dynamics simulation and calculation scheme for site energy disorder is presented in amorphous tris(8-hydroxyquinolinato)aluminum (Alq(3)) by means of the charge response kernel (CRK) method. The CRK fit to the electrostatic potential and the tight-binding approximation are introduced, which enables modeling of the polarizable electrostatic interaction for a large molecule systematically from an ab initio calculation. The site energy disorder for electron and hole transfers is calculated in amorphous Alq(3) and the effect of the polarization on the site energy disorder is discussed.

Some optical properties of one dimensional annular photonic crystal with plasma frequency

NASA Astrophysics Data System (ADS)

Pandeya, G. N.; Thapa, Khem B.

2018-05-01

This paper presents the reflection bands, photonic band gaps, of the one-dimensional annul photonic crystal (APC) containing double negative (DNG) metamaterials and air. The proposed annular structure consists of the alternate layers of dispersive DNG material and air immersed in free space. The reflectance properties of the APC by employing the transfer matrix method (TMM) in the cylindrical waves for TE polarization is studied theoretically. In addition of this, we have also studied the effect of plasma frequency on the reflection behavior of the considered annular structure.

Comprehensive investigation of the excited-state dynamics of push-pull triphenylamine dyes as models for photonic applications.

PubMed

Ishow, Eléna; Clavier, Gilles; Miomandre, Fabien; Rebarz, Mateusz; Buntinx, Guy; Poizat, Olivier

2013-09-07

A series of emitting push-pull triarylamine derivatives, models of their widely used homologues in photonics and organic electronics, was investigated by steady-state and time-resolved spectroscopy. Their structural originality stems from the sole change of the electron-withdrawing substituent X (-H: 1, -CN: 2, -NO2: 3, -CHC(CN)2: 4), giving rise to efficient emission tuning from blue to red upon increasing the X electron-withdrawing character. All compounds are highly fluorescent in alkanes. The more polar compounds 2-4 undergo considerable Stokes shift and emission quenching in polar solvents. Femtosecond transient absorption data allowed us to identify the nature of the emissive state which varies as a function of the compound and surrounding polarity. A long-lived ππ* excited state with weak charge transfer character was found for 1. This excited state evolves into a long-lived ICT state with red-shifted emission for 2 in polar solvents. For 3 and 4, the ICT state is directly populated in all solvents. Long-lived and emissive in n-hexane, it relaxes in toluene to a new ICT' conformation with stronger charge transfer character and enhanced Stokes shift. In more polar THF, ethanol, and nitrile solvents, ICT relaxes to a dark excited state ICT'' with viscosity-dependent kinetics (<10 ps). The ICT'' state lifetime drops with increasing solvent polarity (150 ps for 3 in THF, 8.5 ps in butyronitrile, 1.9 ps in acetonitrile), denoting an efficient radiationless deactivation to the ground state (back charge transfer). This result reveals a very small S0-S1 energy gap at the relaxed ICT'' geometry, with a possible close-lying S0-S1 conical intersection, which suggests that the ICT → ICT'' process results from a structural change involving a large-amplitude molecular distortion. This fast structural change can account for the strong fluorescence quenching observed for 3 and 4 in polar solvents. Finally, the magnitude of intersystem crossing between the singlet and triplet excited states largely depends on the electron-deficient X unit and the solvent itself. These observations help one conclude on the prevailing role played by the electron-withdrawing groups and the surrounding polarity in the photophysical performances of triphenylamine derivatives, largely employed in numerous emissive solid-state devices.

Polarization mode beating techniques for high-sensitivity intracavity sensing

NASA Astrophysics Data System (ADS)

Rosales-Garcia, Andrea

Several industries, including semiconductor, space, defense, medical, chemical and homeland security, demand precise and accurate measurements in the nanometer and sub-nanometer scale. Optical interferometers have been widely investigated due to its dynamic-range, non-contact and high-precision features. Although commercially available interferometers can have sub-nanometer resolution, the practical accuracy exceeds the nanometer range. The fast development of nanotechnology requires more sensitive, reliable, compact and lower cost alternatives than those in existence. This work demonstrates a compact, versatile, accurate and cost-effective fiber laser sensor based on intracavity polarization mode beating (PMB) techniques for monitoring intracavity phase changes with very high sensitivity. Fiber resonators support two orthogonal polarization modes that can behave as two independent lasing channels within the cavity. The fiber laser incorporates an intracavity polarizing beamsplitter that allows for adjusting independently the polarization modes. The heterodyne detection of the laser output produces a beating (PMB) signal, whose frequency is a function of the phase difference between the polarization modes. The optical phase difference is transferred from the optical frequency to a much lower frequency and thus electronic methods can be used to obtain very precise measurements. Upon changing the pathlength of one mode, changes iu the PMB frequency can be effectively measured. Furthermore, since the polarization nodes share the same cavity, the PMB technique provides a simple means to achieve suppression of common mode noise and laser source instabilities. Frequency changes of the PMB signal are evaluated as a function of displacement, intracavity pressure and air density. Refractive index changes of 10 -9 and sub-nanometer displacement measurements are readily attained. Increased refractive index sensitivity and sub-picometer displacement can be reached owing to the high finesse and resolution of the system. Experimental changes in the refractive index of air as a function of pressure are in good agreement with theoretical predictions. An alternative fiber laser configuration, which incorporates non-reciprocal elements, allows measuring the optical activity of enantiomeric mixtures using PMB techniques. The sensitivity attained through PMB techniques demonstrates a potential method for ultra-sensitive biochemical sensing and explosive detection.

On the Accuracy of Double Scattering Approximation for Atmospheric Polarization Computations

NASA Technical Reports Server (NTRS)

Korkin, Sergey V.; Lyapustin, Alexei I.; Marshak, Alexander L.

2011-01-01

Interpretation of multi-angle spectro-polarimetric data in remote sensing of atmospheric aerosols require fast and accurate methods of solving the vector radiative transfer equation (VRTE). The single and double scattering approximations could provide an analytical framework for the inversion algorithms and are relatively fast, however accuracy assessments of these approximations for the aerosol atmospheres in the atmospheric window channels have been missing. This paper provides such analysis for a vertically homogeneous aerosol atmosphere with weak and strong asymmetry of scattering. In both cases, the double scattering approximation gives a high accuracy result (relative error approximately 0.2%) only for the low optical path - 10(sup -2) As the error rapidly grows with optical thickness, a full VRTE solution is required for the practical remote sensing analysis. It is shown that the scattering anisotropy is not important at low optical thicknesses neither for reflected nor for transmitted polarization components of radiation.

Orbital engineering of nickelates in three-component heterostructures

NASA Astrophysics Data System (ADS)

Disa, Ankit; Kumah, Divine; Malashevich, Andrei; Chen, Hanghui; Ismail-Beigi, Sohrab; Walker, Fred; Ahn, Charles; Specht, Eliot; Arena, Dario

2015-03-01

The orbital configuration of complex oxides dictates the emergence of a wide range of properties, including metal-insulator transitions, interfacial magnetism, and high-temperature superconductivity. In this work, we experimentally demonstrate a novel method for achieving large and tunable orbital polarizations in nickelates. The technique is based on leveraging three-component, atomically layered superlattices to yield a combination of inversion symmetry breaking, charge transfer, and polar distortions. In the system we studied, composed of LaTiO3/LaNiO3/LaAlO3, we use synchrotron x-ray diffraction and spectroscopy to characterize these properties and show that they lead to fully broken orbital degeneracy in the nickelate layer consistent with a single-band Fermi surface. Furthermore, we show that this system is widely tunable and enables quasi-continuous orbital control unachievable by conventional strain and confinement-based approaches. This technique provides an experimentally realizable route for accessing and studying novel orbitally dependent quantum phenomena.

Two-color light-emitting diodes with polarization-sensitive high extraction efficiency based on graphene

NASA Astrophysics Data System (ADS)

H, Sattarian; S, Shojaei; E, Darabi

2016-05-01

In the present study, graphene photonic crystals are employed to enhance the light extraction efficiency (LEE) of two-color, red and blue, light-emitting diode (LED). The transmission characteristics of one-dimensional (1D) Fibonacci graphene photonic crystal LED (FGPC-LED) are investigated by using the transfer matrix method and the scaling study is presented. We analyzed the influence of period, thickness, and permittivity in the structure to enhance the LEE. The transmission spectrum of 1D FGPC has been optimized in detail. In addition, the effects of the angle of incidence and the state of polarization are investigated. As the main result, we found the optimum values of relevant parameters to enhance the extraction of red and blue light from an LED as well as provide perfect omnidirectional and high peak transmission filters for the TE and TM modes.

A FORTRAN Program for Elastic Scattering of Deuterons with an Optical Model Containing Tensorial Potentials; PROGRAMME FORTRAN POUR LA DIFFUSION ELASTIQUE DE DEUTONS AVEC UN MODELE OPTIQUE CONTENANT DES TERMES TENSORIELS

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

Raynal, J.

1963-01-01

The FORTRAN program 5PM 037 calculates the effective elastic scattering cross section, polarizations, the effective total reaction cross section, and the polarization transfer coefficients for spin-1 particles of low charge and mass incident on a low charge and mass target at medium energy. The number of partial waves can not exceed 38, and calculations for different values of parameters for the optical model used can be made. The effect of tensorial potentials constructed from the distance of the deuteron from the target, and its angular momentum with respect to it, can also be studied. The optical model, necessary data, numericalmore » methods, and description of the problem are discussed. The program is described, and tables of equivalent statements necessary for modifying it are included. (auth)« less

Control of exciton spin statistics through spin polarization in organic optoelectronic devices

PubMed Central

Wang, Jianpu; Chepelianskii, Alexei; Gao, Feng; Greenham, Neil C.

2012-01-01

Spintronics based on organic semiconductor materials is attractive because of its rich fundamental physics and potential for device applications. Manipulating spins is obviously important for spintronics, and is usually achieved by using magnetic electrodes. Here we show a new approach where spin populations can be controlled primarily by energetics rather than kinetics. We find that exciton spin statistics can be substantially controlled by spin-polarizing carriers after injection using high magnetic fields and low temperatures, where the Zeeman energy is comparable with the thermal energy. By using this method, we demonstrate that singlet exciton formation can be suppressed by up to 53% in organic light-emitting diodes, and the dark conductance of organic photovoltaic devices can be increased by up to 45% due to enhanced formation of triplet charge-transfer states, leading to less recombination to the ground state. PMID:23149736

Wavelength-switchable passively mode-locked fiber laser with mechanically exfoliated molybdenum ditelluride on side-polished fiber

NASA Astrophysics Data System (ADS)

Wang, Guomei

2017-11-01

We experimentally investigated the nonlinear saturable absorption characteristics of molybdenum ditelluride (MoTe2) and demonstrated a wavelength-switchable mode-locked erbium-doped fiber laser (EDFL) by using MoTe2 thin film on side-polished fiber (SPF) as saturable absorber. Here, the MoTe2 thin film was efficiently fabricated via mechanical exfoliation method and transferred onto the SPF with the assistance of polydimethylsiloxane (PDMS). MoTe2-covered SPF (MSPF) exhibits the nonlinear saturable absorption for pulses with different polarization states. Optical solitons with spectral bandwidth of 1.06 (1.31) nm centered at ∼1559 (∼1528) nm and pulse duration of 2.46 (2.04) ps can be obtained from the EDFL by adjusting the polarization controller (PC) properly. The time-bandwidth product (TBP) of the pulses was calculated as 0.322 (0.344).

Negative differential velocity in ultradilute GaAs1-xNx alloys

NASA Astrophysics Data System (ADS)

Vogiatzis, N.; Rorison, J. M.

2011-04-01

We present theoretical results on steady state characteristics in bulk GaAs1-xNx alloys (x ≤ 0.2) using the single electron Monte-Carlo method. Two approaches have been used; the first assumes a GaAs band with a strong nitrogen scattering resonance and the second uses the band anti-crossing model, in which the localized N level interacts with the GaAs band strongly perturbing the conduction band. In the first model we observe two negative differential velocity peaks, the lower one associated with nitrogen scattering while the higher one with polar optical phonon emission accounting for the nonparabolicity effect. In the second model one negative differential velocity peak is observed associated with polar optical phonon emission. Good agreement with experimental low field mobility is obtained from the first model. We also comment on the results from both Models when the intervalley Г → L transfer is accounted for.

Ultrafast Electron Transfer across a Nanocapsular Wall: Coumarins as Donors, Viologen as Acceptor, and Octa Acid Capsule as the Mediator.

PubMed

Chuang, Chi-Hung; Porel, Mintu; Choudhury, Rajib; Burda, Clemens; Ramamurthy, V

2018-01-11

Results of our study on ultrafast electron transfer (eT) dynamics from coumarins (coumarin-1, coumarin-480, and coumarin-153) incarcerated within octa acid (OA) capsules as electron donors to methyl viologen dissolved in water as acceptor are presented. Upon photoexcitation, coumarin inside the OA capsule transfers an electron to the acceptor electrostatically attached to the capsule leading to a long-lived radical-ion pair separated by the OA capsular wall. This charge-separated state returns to the neutral ground state via back electron transfer on the nanosecond time scale. This system allows for ultrafast electron transfer processes through a molecular wall from the apolar capsular interior to the highly polar (aqueous) environment on the femtosecond time scale. Employing femtosecond transient absorption spectroscopy, distinct rates of both forward (1-25 ps) and backward eT (700-1200 ps) processes were measured. Further understanding of the energetics is provided using Rehm-Weller analysis for the investigated photoinduced eT reactions. The results provide the rates of the eT across a molecular wall, akin to an isotropic solution, depending on the standard free energy of the reaction. The insights from this work could be utilized in the future design of efficient electron transfer processes across interfaces separating apolar and polar environments.

Anisotropic kinetic energy release and gyroscopic behavior of CO2 super rotors from an optical centrifuge.

PubMed

Murray, Matthew J; Ogden, Hannah M; Mullin, Amy S

2017-10-21

An optical centrifuge is used to generate an ensemble of CO 2 super rotors with oriented angular momentum. The collision dynamics and energy transfer behavior of the super rotor molecules are investigated using high-resolution transient IR absorption spectroscopy. New multipass IR detection provides improved sensitivity to perform polarization-dependent transient studies for rotational states with 76 ≤ J ≤ 100. Polarization-dependent measurements show that the collision-induced kinetic energy release is spatially anisotropic and results from both near-resonant energy transfer between super rotor molecules and non-resonant energy transfer between super rotors and thermal molecules. J-dependent studies show that the extent and duration of the orientational anisotropy increase with rotational angular momentum. The super rotors exhibit behavior akin to molecular gyroscopes, wherein molecules with larger amounts of angular momentum are less likely to change their angular momentum orientation through collisions.

Anisotropic kinetic energy release and gyroscopic behavior of CO2 super rotors from an optical centrifuge

NASA Astrophysics Data System (ADS)

Murray, Matthew J.; Ogden, Hannah M.; Mullin, Amy S.

2017-10-01

An optical centrifuge is used to generate an ensemble of CO2 super rotors with oriented angular momentum. The collision dynamics and energy transfer behavior of the super rotor molecules are investigated using high-resolution transient IR absorption spectroscopy. New multipass IR detection provides improved sensitivity to perform polarization-dependent transient studies for rotational states with 76 ≤ J ≤ 100. Polarization-dependent measurements show that the collision-induced kinetic energy release is spatially anisotropic and results from both near-resonant energy transfer between super rotor molecules and non-resonant energy transfer between super rotors and thermal molecules. J-dependent studies show that the extent and duration of the orientational anisotropy increase with rotational angular momentum. The super rotors exhibit behavior akin to molecular gyroscopes, wherein molecules with larger amounts of angular momentum are less likely to change their angular momentum orientation through collisions.

Polarization transfer NMR imaging

DOEpatents

Sillerud, Laurel O.; van Hulsteyn, David B.

1990-01-01

A nuclear magnetic resonance (NMR) image is obtained with spatial information modulated by chemical information. The modulation is obtained through polarization transfer from a first element representing the desired chemical, or functional, information, which is covalently bonded and spin-spin coupled with a second element effective to provide the imaging data. First and second rf pulses are provided at first and second frequencies for exciting the imaging and functional elements, with imaging gradients applied therebetween to spatially separate the nuclei response for imaging. The second rf pulse is applied at a time after the first pulse which is the inverse of the spin coupling constant to select the transfer element nuclei which are spin coupled to the functional element nuclei for imaging. In a particular application, compounds such as glucose, lactate, or lactose, can be labeled with .sup.13 C and metabolic processes involving the compounds can be imaged with the sensitivity of .sup.1 H and the selectivity of .sup.13 C.

Effect of solvent hydrogen bonding on the photophysical properties of intramolecular charge transfer probe trans-ethyl p-(dimethylamino) cinamate and its derivative

NASA Astrophysics Data System (ADS)

Singh, T. Sanjoy; Moyon, N. S.; Mitra, Sivaprasad

2009-08-01

Intramolecular charge transfer (ICT) behavior of trans-ethyl p-(dimethylamino) cinamate (EDAC) and 4-(dimethylamino) cinnamic acid (DMACA) were studied by steady state absorption and emission, picosecond time-resolved fluorescence experiments in various pure and mixed solvent systems. The large fluorescence spectral shift in more polar solvents indicates an efficient charge transfer from the donor site to the acceptor moiety in the excited state compared to the ground state. The energy for 0,0 transition ( ν0,0) for EDAC shows very good linear correlation with static solvent dielectric property; however, fluorescence emission maximum, stokes shift and fluorescence quantum yield show significant deviation from linearity in polar protic solvents, indicating a large contribution of solvent hydrogen bonding on the excited state relaxation mechanism. A quantitative estimation of contribution from different solvatochromic parameters was made using linear free energy relationship based on Kamlet-Taft equation.

Portable ultrahigh-vacuum sample storage system for polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy

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

Watanabe, Yoshihide, E-mail: e0827@mosk.tytlabs.co.jp; Nishimura, Yusaku F.; Suzuki, Ryo

A portable ultrahigh-vacuum sample storage system was designed and built to investigate the detailed geometric structures of mass-selected metal clusters on oxide substrates by polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy (PTRF-XAFS). This ultrahigh-vacuum (UHV) sample storage system provides the handover of samples between two different sample manipulating systems. The sample storage system is adaptable for public transportation, facilitating experiments using air-sensitive samples in synchrotron radiation or other quantum beam facilities. The samples were transferred by the developed portable UHV transfer system via a public transportation at a distance over 400 km. The performance of the transfer system was demonstratedmore » by a successful PTRF-XAFS study of Pt{sub 4} clusters deposited on a TiO{sub 2}(110) surface.« less

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.

Ultralow-current-density and bias-field-free spin-transfer nano-oscillator

PubMed Central

Zeng, Zhongming; Finocchio, Giovanni; Zhang, Baoshun; Amiri, Pedram Khalili; Katine, Jordan A.; Krivorotov, Ilya N.; Huai, Yiming; Langer, Juergen; Azzerboni, Bruno; Wang, Kang L.; Jiang, Hongwen

2013-01-01

The spin-transfer nano-oscillator (STNO) offers the possibility of using the transfer of spin angular momentum via spin-polarized currents to generate microwave signals. However, at present STNO microwave emission mainly relies on both large drive currents and external magnetic fields. These issues hinder the implementation of STNOs for practical applications in terms of power dissipation and size. Here, we report microwave measurements on STNOs built with MgO-based magnetic tunnel junctions having a planar polarizer and a perpendicular free layer, where microwave emission with large output power, excited at ultralow current densities, and in the absence of any bias magnetic fields is observed. The measured critical current density is over one order of magnitude smaller than previously reported. These results suggest the possibility of improved integration of STNOs with complementary metal-oxide-semiconductor technology, and could represent a new route for the development of the next-generation of on-chip oscillators. PMID:23478390

Ultralow-current-density and bias-field-free spin-transfer nano-oscillator.

PubMed

Zeng, Zhongming; Finocchio, Giovanni; Zhang, Baoshun; Khalili Amiri, Pedram; Katine, Jordan A; Krivorotov, Ilya N; Huai, Yiming; Langer, Juergen; Azzerboni, Bruno; Wang, Kang L; Jiang, Hongwen

2013-01-01

The spin-transfer nano-oscillator (STNO) offers the possibility of using the transfer of spin angular momentum via spin-polarized currents to generate microwave signals. However, at present STNO microwave emission mainly relies on both large drive currents and external magnetic fields. These issues hinder the implementation of STNOs for practical applications in terms of power dissipation and size. Here, we report microwave measurements on STNOs built with MgO-based magnetic tunnel junctions having a planar polarizer and a perpendicular free layer, where microwave emission with large output power, excited at ultralow current densities, and in the absence of any bias magnetic fields is observed. The measured critical current density is over one order of magnitude smaller than previously reported. These results suggest the possibility of improved integration of STNOs with complementary metal-oxide-semiconductor technology, and could represent a new route for the development of the next-generation of on-chip oscillators.

Application of ex situ dynamic nuclear polarization in studying small molecules.

PubMed

Ludwig, Christian; Marin-Montesinos, Ildefonso; Saunders, Martin G; Emwas, Abdul-Hamid; Pikramenou, Zoe; Hammond, Stephen P; Günther, Ulrich L

2010-06-14

Dynamic nuclear polarization (DNP) has become an attractive technique to boost the sensitivity of NMR experiments. In the case of ex situ polarizations two-dimensional (2D) spectra are limited by the short lifetime of the polarization after dissolution and sample transfer to a high field NMR magnet. This limitation can be overcome by various approaches. Here we show how the use of (13)C-labelled acetyl tags can help to obtain 2D-HMQC spectra for many small molecules, owing to a nuclear Overhauser enhancement between (13)C spins originating from the long-lived carbonyl carbon, which extends the lifetimes of other (13)C spins with shorter longitudinal relaxation times. We also show an alternative approach of using an optimized polarization matrix.

Polarization-dependent DANES study on vertically-aligned ZnO nanorods

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

Sun, Chengjun; Park, Chang-In; Jin, Zhenlan

2016-05-01

The local structural and local density of states of vertically-aligned ZnO nanorods were examined by using a polarization-dependent diffraction anomalous near edge structure (DANES) measurements from c-oriented ZnO nanorods at the Zn K edge with the incident x-ray electric field parallel and perpendicular to the x-ray momentum transfer direction. Orientation-dependent local structures determined by DANES were comparable with polarization-dependent EXAFS results. Unlike other techniques, polarization-dependent DANES can uniquely describe the orientation-dependent local structural properties and the local density of states of a selected element in selected-phased crystals of compounds or mixed-phased structures.

Reconstructing a plasmonic metasurface for a broadband high-efficiency optical vortex in the visible frequency.

PubMed

Lu, Bing-Rui; Deng, Jianan; Li, Qi; Zhang, Sichao; Zhou, Jing; Zhou, Lei; Chen, Yifang

2018-06-14

Metasurfaces consisting of a two-dimensional metallic nano-antenna array are capable of transferring a Gaussian beam into an optical vortex with a helical phase front and a phase singularity by manipulating the polarization/phase status of light. This miniaturizes a laboratory scaled optical system into a wafer scale component, opening up a new area for broad applications in optics. However, the low conversion efficiency to generate a vortex beam from circularly polarized light hinders further development. This paper reports our recent success in improving the efficiency over a broad waveband at the visible frequency compared with the existing work. The choice of material, the geometry and the spatial organization of meta-atoms, and the fabrication fidelity are theoretically investigated by the Jones matrix method. The theoretical conversion efficiency over 40% in the visible wavelength range is worked out by systematic calculation using the finite difference time domain (FDTD) method. The fabricated metasurface based on the parameters by theoretical optimization demonstrates a high quality vortex in optical frequencies with a significantly enhanced efficiency of over 20% in a broad waveband.

Investigating polarized fluorescence emission of Napthalene Diimide polymer films via Stokes Spectroscopy

NASA Astrophysics Data System (ADS)

Ulrich, Steven; Sutch, Thabita; Schweizer, Matthias; Szulczewski, Greg; Barbosa Neto, Newton; Araujo, Paulo; Szulczewski's Group. Collaboration; Nanolab@UA Collaboration

Structural studies of materials, especially polymers, has been an area of growing interest in the past decades. This is due to the wide variety of physical, optical and chemical properties which can be tuned to obtain desired outcomes. Such polymers include P(NDI2OD-T2) an organic n-type, donor-acceptor polymer. Techniques to measure the structure, chemical and optical properties of these materials include XRD, time resolved spectroscopy and other timely and expensive methods. This work seeks to implement Stokes parameter analysis to create a new spectroscopic method, which can be implemented at a fraction of the cost and with relative ease. This technique, when used to probe P(NDI2OD-T2), has been able to discern information about polymer aggregate formation, energy transfer and out of plane stacking on the basis of solvent choice and sample thickness. Additionally, this technique gives information regarding the polarized emission from excited sources, which could provide insight for increased device performance. College of Arts and Sciences and Center for Information Technology, University of Alabama. CNPq Brazil Grant number 401453/2014-6.

Scattering Polarization in the Chromosphere

NASA Technical Reports Server (NTRS)

Keller, C. U.; Sheeley, N. R., Jr.

1999-01-01

Scattering polarization from the photosphere observed close to the solar limb has recently become of interest to study turbulent magnetic fields, abundances, and radiative transfer effects. We extend these studies by measuring the scattering polarization off the limb, i.e. in the chromosphere. However, instrumental effects are much more pronounced and more complicated than those affecting on-disk measurements. In particular, scattered light from the telescope mirrors leads to a new type of instrumental polarization that we describe in detail. The differences between the linearly polarized spectra on the disk and off the limb are often very substantial. Here we show the profiles of HeI D(sub 3), the OI triplet at 777 nm, and the Nal D lines. The change in the latter is in reasonable agreement with the recent modeling efforts of atomic polarization in the lower level by Landi Degl'Innocenti (1998).

Approximate description of Stokes shifts in ICT fluorescence emission

NASA Astrophysics Data System (ADS)

Saielli, Giacomo; Braun, David; Polimeno, Antonino; Nordio, Pier Luigi

1996-07-01

The time-resolved emission spectrum of a dual fluorescent prototype system like DMABN is associated with an intramolecular adiabatic charge-transfer reaction and the simultaneous relaxation of the polarization coordinate describing the dynamic behaviour of the polar solvent. The dynamic Stokes shift of the frequency maximum of the long-wavelength emission band related to the charge-transfer (CT) state towards the red region is interpreted as a consequence of a kinetic pathway which deviates from steepest descent to the CT state, the rate-determining step being the solvent relaxation. The present stochastic treatment is based on the assumption that internal and solvent coordinates could be described separately, neglecting coupling elements in the case of slow solvent relaxation.

Electron transfer in a virtual quantum state of LiBH4 induced by strong optical fields and mapped by femtosecond x-ray diffraction.

PubMed

Stingl, J; Zamponi, F; Freyer, B; Woerner, M; Elsaesser, T; Borgschulte, A

2012-10-05

Transient polarizations connected with a spatial redistribution of electronic charge in a mixed quantum state are induced by optical fields of high amplitude. We determine for the first time the related transient electron density maps, applying femtosecond x-ray powder diffraction as a structure probe. The prototype ionic material LiBH4 driven nonresonantly by an intense sub-40 fs optical pulse displays a large-amplitude fully reversible electron transfer from the BH4(-) anion to the Li+ cation during excitation. Our results establish this mechanism as the source of the strong optical polarization which agrees quantitatively with theoretical estimates.

Polarization-transfer measurement to a large-virtuality bound proton in the deuteron

NASA Astrophysics Data System (ADS)

Yaron, I.; Izraeli, D.; Achenbach, P.; Arenhövel, H.; Beričič, J.; Böhm, R.; Bosnar, D.; Cohen, E. O.; Debenjak, L.; Distler, M. O.; Esser, A.; Friščić, I.; Gilman, R.; Korover, I.; Lichtenstadt, J.; Merkel, H.; Middleton, D. G.; Mihovilovič, M.; Müller, U.; Piasetzky, E.; Pochodzalla, J.; Ron, G.; Schlimme, B. S.; Schoth, M.; Schulz, F.; Sfienti, C.; Širca, S.; Strauch, S.; Thiel, M.; Tyukin, A.; Weber, A.; A1 Collaboration

2017-06-01

We report the measurement of the ratio of polarization-transfer components, Px /Pz, in the 2H (e → ,e‧ p →) n reaction at low and high missing momenta, in search of differences between free and bound protons. The observed deviation of Px /Pz from that of a free proton, which is similar to that observed in 4He, indicates that the effect in nuclei is a function of the virtuality of the knock-out proton and the missing momentum direction, but not the average nuclear density. There is a general agreement between the data and calculations, which assume free proton form factors, however, the measurements are consistently about 10% higher.

Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest.

PubMed

Botek, Edith; Giribet, Claudia; Ruiz de Azúa, Martín; Martín Negri, Ricardo; Bernik, Delia

2008-07-31

The IPPP-CLOPPA-INDO/S method is introduced to investigate the static molecular polarizability in macromolecules. As an example of application, the polarizability of phospholipidic compounds, with and without the presence of water molecules has been estimated. The IPPP technique was employed to calculate the polarizability of the polar head and the hydrocarbon chains separately to analyze the feasibility of evaluating the total polarizability of the molecule by addition of these two projected results. INDO/S dipole moments of different fragments of the complex molecule were obtained by means of localized molecular orbitals in order to evaluate the charge transfer in the system.

Linear Polarization, Circular Polarization, and Depolarization of Gamma-ray Bursts: A Simple Case of Jitter Radiation

NASA Astrophysics Data System (ADS)

Mao, Jirong; Wang, Jiancheng

2017-04-01

Linear and circular polarizations of gamma-ray bursts (GRBs) have been detected recently. We adopt a simplified model to investigate GRB polarization characteristics in this paper. A compressed two-dimensional turbulent slab containing stochastic magnetic fields is considered, and jitter radiation can produce the linear polarization under this special magnetic field topology. Turbulent Faraday rotation measure (RM) of this slab makes strong wavelength-dependent depolarization. The jitter photons can also scatter with those magnetic clumps inside the turbulent slab, and a nonzero variance of the Stokes parameter V can be generated. Furthermore, the linearly and circularly polarized photons in the optical and radio bands may suffer heavy absorptions from the slab. Thus we consider the polarized jitter radiation transfer processes. Finally, we compare our model results with the optical detections of GRB 091018, GRB 121024A, and GRB 131030A. We suggest simultaneous observations of GRB multi-wavelength polarization in the future.

Linear Polarization, Circular Polarization, and Depolarization of Gamma-ray Bursts: A Simple Case of Jitter Radiation

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

Mao, Jirong; Wang, Jiancheng, E-mail: jirongmao@mail.ynao.ac.cn

Linear and circular polarizations of gamma-ray bursts (GRBs) have been detected recently. We adopt a simplified model to investigate GRB polarization characteristics in this paper. A compressed two-dimensional turbulent slab containing stochastic magnetic fields is considered, and jitter radiation can produce the linear polarization under this special magnetic field topology. Turbulent Faraday rotation measure (RM) of this slab makes strong wavelength-dependent depolarization. The jitter photons can also scatter with those magnetic clumps inside the turbulent slab, and a nonzero variance of the Stokes parameter V can be generated. Furthermore, the linearly and circularly polarized photons in the optical and radiomore » bands may suffer heavy absorptions from the slab. Thus we consider the polarized jitter radiation transfer processes. Finally, we compare our model results with the optical detections of GRB 091018, GRB 121024A, and GRB 131030A. We suggest simultaneous observations of GRB multi-wavelength polarization in the future.« less

Center-to-limb variation of intensity and polarization in continuum spectra of FGK stars for spherical atmospheres

NASA Astrophysics Data System (ADS)

Kostogryz, N. M.; Milic, I.; Berdyugina, S. V.; Hauschildt, P. H.

2016-02-01

Aims: One of the necessary parameters needed for the interpretation of the light curves of transiting exoplanets or eclipsing binary stars (as well as interferometric measurements of a star or microlensing events) is how the intensity and polarization of light changes from the center to the limb of a star. Scattering and absorption processes in the stellar atmosphere affect both the center-to-limb variation of intensity (CLVI) and polarization (CLVP). In this paper, we present a study of the CLVI and CLVP in continuum spectra, taking into consideration the different contributions of scattering and absorption opacity for a variety of spectral type stars with spherical atmospheres. Methods: We solve the radiative transfer equation for polarized light in the presence of a continuum scattering, taking into consideration the spherical model of a stellar atmosphere. To cross-check our results, we developed two independent codes that are based on Feautrier and short characteristics methods, respectively, Results: We calculate the center-to-limb variation of intensity (CLVI) and polarization (CLVP) in continuum for the Phoenix grid of spherical stellar model atmospheres for a range of effective temperatures (4000-7000 K), gravities (log g = 1.0-5.5), and wavelengths (4000-7000 Å), which are tabulated and available at the CDS. In addition, we present several tests of our codes and compare our calculations for the solar atmosphere with published photometric and polarimetric measurements. We also show that our two codes provide similar results in all considered cases. Conclusions: For sub-giant and dwarf stars (log g = 3.0-4.5), the lower gravity and lower effective temperature of a star lead to higher limb polarization of the star. For giant and supergiant stars (log g = 1.0-2.5), the highest effective temperature yields the largest polarization. By decreasing the effective temperature of a star down to 4500-5500 K (depending on log g), the limb polarization decreases and reaches a local minimum. It increases again with a corresponding decrease in temperature down to 4000 K. For the most compact dwarf stars (log g = 5.0-5.5), the limb polarization degree shows a maximum for models with effective temperatures in the range 4200-4600 K (depending on log g) and decreases toward higher and lower temperatures. The intensity and polarization profiles are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/586/A87

Collisional transfer of population and orientation in NaK

NASA Astrophysics Data System (ADS)

Wolfe, C. M.; Ashman, S.; Bai, J.; Beser, B.; Ahmed, E. H.; Lyyra, A. M.; Huennekens, J.

2011-05-01

Collisional satellite lines with |ΔJ| ≤ 58 have been identified in recent polarization spectroscopy V-type optical-optical double resonance (OODR) excitation spectra of the Rb2 molecule [H. Salami et al., Phys. Rev. A 80, 022515 (2009)]. Observation of these satellite lines clearly requires a transfer of population from the rotational level directly excited by the pump laser to a neighboring level in a collision of the molecule with an atomic perturber. However to be observed in polarization spectroscopy, the collision must also partially preserve the angular momentum orientation, which is at least somewhat surprising given the extremely large values of ΔJ that were observed. In the present work, we used the two-step OODR fluorescence and polarization spectroscopy techniques to obtain quantitative information on the transfer of population and orientation in rotationally inelastic collisions of the NaK molecules prepared in the 2(A)1Σ+(v' = 16, J' = 30) rovibrational level with argon and potassium perturbers. A rate equation model was used to study the intensities of these satellite lines as a function of argon pressure and heat pipe oven temperature, in order to separate the collisional effects of argon and potassium atoms. Using a fit of this rate equation model to the data, we found that collisions of NaK molecules with potassium atoms are more likely to transfer population and destroy orientation than collisions with argon atoms. Collisions with argon atoms show a strong propensity for population transfer with ΔJ = even. Conversely, collisions with potassium atoms do not show this ΔJ = even propensity, but do show a propensity for ΔJ = positive compared to ΔJ = negative, for this particular initial state. The density matrix equations of motion have also been solved numerically in order to test the approximations used in the rate equation model and to calculate fluorescence and polarization spectroscopy line shapes. In addition, we have measured rate coefficients for broadening of NaK 31Π ← 2(A)1Σ+spectral lines due to collisions with argon and potassium atoms. Additional broadening, due to velocity changes occurring in rotationally inelastic collisions, has also been observed.

Collisional transfer of population and orientation in NaK.

PubMed

Wolfe, C M; Ashman, S; Bai, J; Beser, B; Ahmed, E H; Lyyra, A M; Huennekens, J

2011-05-07

Collisional satellite lines with |ΔJ| ≤ 58 have been identified in recent polarization spectroscopy V-type optical-optical double resonance (OODR) excitation spectra of the Rb(2) molecule [H. Salami et al., Phys. Rev. A 80, 022515 (2009)]. Observation of these satellite lines clearly requires a transfer of population from the rotational level directly excited by the pump laser to a neighboring level in a collision of the molecule with an atomic perturber. However to be observed in polarization spectroscopy, the collision must also partially preserve the angular momentum orientation, which is at least somewhat surprising given the extremely large values of ΔJ that were observed. In the present work, we used the two-step OODR fluorescence and polarization spectroscopy techniques to obtain quantitative information on the transfer of population and orientation in rotationally inelastic collisions of the NaK molecules prepared in the 2(A)(1)Σ(+)(v' = 16, J' = 30) rovibrational level with argon and potassium perturbers. A rate equation model was used to study the intensities of these satellite lines as a function of argon pressure and heat pipe oven temperature, in order to separate the collisional effects of argon and potassium atoms. Using a fit of this rate equation model to the data, we found that collisions of NaK molecules with potassium atoms are more likely to transfer population and destroy orientation than collisions with argon atoms. Collisions with argon atoms show a strong propensity for population transfer with ΔJ = even. Conversely, collisions with potassium atoms do not show this ΔJ = even propensity, but do show a propensity for ΔJ = positive compared to ΔJ = negative, for this particular initial state. The density matrix equations of motion have also been solved numerically in order to test the approximations used in the rate equation model and to calculate fluorescence and polarization spectroscopy line shapes. In addition, we have measured rate coefficients for broadening of NaK 3(1)Π ← 2(A)(1)Σ(+)spectral lines due to collisions with argon and potassium atoms. Additional broadening, due to velocity changes occurring in rotationally inelastic collisions, has also been observed.

Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.

PubMed

Panchenko, Pavel A; Arkhipova, Antonina N; Fedorova, Olga A; Fedorov, Yuri V; Zakharko, Marina A; Arkhipov, Dmitry E; Jonusauskas, Gediminas

2017-01-04

The photophysical properties of naphthalimide dyes NI1-3 with electron releasing 4-methoxy- (NI1), 3,4-dimethoxystyryl- (NI2) and dimethylaminostyryl (NI3) groups are examined in a variety of protic and aprotic solvents. All compounds demonstrate positive solvatochromism in the steady-state absorption and fluorescence spectra. The analysis of the dependence of the Stokes shift on the polarity of the solvent using the Lippert-Mataga equation allowed us to determine the change in the dipole moment upon excitation. The obtained data correspond to the formation of highly polar charge transfer states. Based on the transient absorption spectra and time-resolved fluorescence measurements, the presence of two different emissive states was definitely proved. The primarily formed planar Local Excited (LE) state dominates in non-polar solvents like cyclohexane and toluene where it relaxes mostly through fluorescence and E,Z-isomerisation pathways. In polar solvents, an alternative relaxation channel emerges that consists of twisting around single bond between styryl and naphthalimide fragments, which leads to the formation of a Twisted Intramolecular Charge Transfer (TICT) state. The factors affecting the fluorescence of TICT states are discussed. The observed spectral effects are rationalized using quantum-chemical calculations, X-ray data and NMR spectroscopy.

Molecular orbital (SCF-Xα-SW) theory of metal-metal charge transfer processes in minerals

USGS Publications Warehouse

Sherman, David M.

1987-01-01

Electronic transitions between the Fe-Fe bonding and Fe-Fe antibonding orbitals results in the optically-induced intervalence charge transfer bands observed in the electronic spectra of mixed valence minerals. Such transitions are predicted to be polarized along the metal-metal bond direction, in agreement with experimental observations.

Characteristics and performance of the variable polarity plasma arc welding process used in the Space Shuttle external tank

NASA Technical Reports Server (NTRS)

Hung, R. J.; Lee, C. C.; Liu, J. W.

1990-01-01

Significant advantages of the Variable Polarity Plasma Arc (VPPA) Welding Process include faster welding, fewer repairs, less joint preparation, reduced weldment distortion, and absence of porosity. Flow profiles and power distribution of argon plasma gas as a working fluid to produce plasma arc jet in the VPPA welding process was analyzed. Major loss of heat transfer for flow through the nozzle is convective heat transfer; for the plasma jet flow between the outlet of the nozzle and workpiece is radiative heat transfer; and for the flow through the keyhole of the workpiece is convective heat transfer. The majority of the power absorbed by the keyhole of the workpiece is used for melting the solid metal workpiece into a molten metallic puddle. The crown and root widths and the crown and root heights can be predicted. An algorithm for promoting automatic control of flow parameters and the dimensions of the final product of the welding specification to be used for the VPPA Welding System operated at MSFC are provided.

Directional interlayer spin-valley transfer in two-dimensional heterostructures

DOE PAGES

Schaibley, John R.; Rivera, Pasqual; Yu, Hongyi; ...

2016-12-14

Van der Waals heterostructures formed by two different monolayer semiconductors have emerged as a promising platform for new optoelectronic and spin/valleytronic applications. In addition to its atomically thin nature, a two-dimensional semiconductor heterostructure is distinct from its three-dimensional counterparts due to the unique coupled spin-valley physics of its constituent monolayers. In this paper, we report the direct observation that an optically generated spin-valley polarization in one monolayer can be transferred between layers of a two-dimensional MoSe 2–WSe 2 heterostructure. Using non-degenerate optical circular dichroism spectroscopy, we show that charge transfer between two monolayers conserves spin-valley polarization and is only weaklymore » dependent on the twist angle between layers. Finally, our work points to a new spin-valley pumping scheme in nanoscale devices, provides a fundamental understanding of spin-valley transfer across the two-dimensional interface, and shows the potential use of two-dimensional semiconductors as a spin-valley generator in two-dimensional spin/valleytronic devices for storing and processing information.« less

Flux and polarization signals of spatially inhomogeneous gaseous exoplanets

NASA Astrophysics Data System (ADS)

Karalidi, T.; Stam, D. M.; Guirado, D.

2013-07-01

Aims: We present numerically calculated, disk-integrated, spectropolarimetric signals of starlight that is reflected by vertically and horizontally inhomogeneous gaseous exoplanets. We include various spatial features that are present on Solar System's gaseous planets: belts and zones, cyclonic spots, and polar hazes, to test whether such features leave traces in the disk-integrated fux and polarization signals. Methods: Broadband flux and polarization signals of starlight that is reflected by gaseous exoplanets are calculated using an efficient, adding-doubling radiative transfer code, that fully includes single and multiple scattering and polarization. The planetary model atmospheres are vertically inhomogeneous and can be horizontally inhomogeneous, and contain gas molecules and/or cloud and/or aerosol particles. Results: The broadband flux and polarization signals are sensitive to cloud top pressures, although in the presence of local pressure differences, such as in belts and clouds, the flux and polarization phase functions have similar shapes as those of horizontally homogeneous planets. Fitting flux phase functions of a planet with belts and zones using a horizontally homogeneous planet could theoretically yield cloud top pressures that differ by a few hundred mbar from those derived from fitting polarization phase functions. In practice, however, observational errors and uncertainties in cloud properties would make such a fit unreliable. A cyclonic spot like Jupiter's Great Red Spot, covering a few percent of the disk, located in equatorial regions, and rotating in and out of the observer's view yields a temporal variation of a few percent in the broadband flux and a few percent in the degree of polarization. Polar hazes leave strong traces in the polarization of reflected starlight in spatially resolved observations, especially seen at phase angles near 90°. Integrated across the planetary disk, polar hazes that cover only part of the planetary disk, change the broadband degree of polarization of the reflected light by a few percent. Such hazes have only small effects on locally reflected broadband fluxes and negligible effects on disk-integrated broadband fluxes. Conclusions: Deriving the presence of belts and zones in the atmospheres of gaseous exoplanets from broadband flux and polarization observations will be extremely difficult. Cyclonic spots could leave temporal changes in the broadband flux and polarization signals of a few percent. Polar hazes that cover a fraction of the planetary disk, and that are composed of small, Rayleigh scattering particles, change the broadband degree of polarization by at most a few percent.

Molecular recognition in chiral smectic liquid crystals: the effect of core-core interactions and chirality transfer on polar order.

PubMed

Lemieux, Robert P

2007-12-01

This critical review focuses on the induction of polar order in smectic liquid crystal phases by dopants with axially chiral cores, and should be of interest to all practitioners of supramolecular chemistry. The variations in polarization power of these dopants with the core structure of the liquid crystal hosts is a manifestation of molecular recognition that reflects the nanosegregation of aromatic cores from paraffinic side-chains in smectic phases, and the collective effect of core-core interactions that enable the propagation of chiral perturbations.

Ultrafast electron and hole transfer dynamics of a solar cell dye containing hole acceptors on mesoporous TiO2 and Al2O3.

PubMed

Scholz, Mirko; Flender, Oliver; Boschloo, Gerrit; Oum, Kawon; Lenzer, Thomas

2017-03-08

The stability of dye cations against recombination with conduction band electrons in mesoporous TiO 2 electrodes is a key property for improving light harvesting in dye-sensitised solar cells. Using ultrafast transient broadband absorption spectroscopy, we monitor efficient intramolecular hole transfer in the solar cell dye E6 having two peripheral triarylamine acceptors. After photoexcitation, two hole transfer mechanisms are identified: a concerted mechanism for electron injection and hole transfer (2.4 ps) and a sequential mechanism with time constants of 3.9 ps and 30 ps. This way the dye retards unwanted recombination with a TiO 2 conduction band electron by quickly moving the hole further away from the surface. Contact of the E6/TiO 2 surface with the solvent acetonitrile has almost no influence on the electron injection and hole transfer kinetics. Fast hole transfer (2.8 ps) is also observed on a "non-injecting" Al 2 O 3 surface generating a radical cation-radical anion species with a lifetime of 530 ps. The findings confirm the good intramolecular hole transfer properties of this dye on both thin films. In contrast, intramolecular hole transfer does not occur in the mid-polar organic solvent methyl acetate. This is confirmed by TDDFT calculations suggesting a polarity-induced reduction of the driving force for hole transfer. In methyl acetate, only the relaxation of the initially photoexcited core chromophore is observed including solvent relaxation processes of the electronically excited state S 1 /ICT.

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.

A GCM Recent History of the Northern Martian Polar Layered Deposits

NASA Technical Reports Server (NTRS)

Levrard, B.; Laskar, J.; Forget, F.; Montmessin, F.

2003-01-01

The polar layered deposits are thought to contain alternate layers of water and dust in different proportions resulting from the astronomical forcing of the martian climate. In particular, longterm variations in the orbital and axial elements of Mars are presumed to generate variations of the latitudes of surface water ice stability and of the amount of water exchanged in the polar areas. At high obliquity, simplified climate models and independent general circulation simulations suggest a transfer of water ice from the north polar region to tropical areas, whereas at lower and present obliquities, water ice is expected to be stable only at the poles. If so, over obliquity cycles, water ice may be redistributed between the surface water reservoirs leading to their incremental building or disintegration depending on the rates of water transfer. If only a relative limited amount of the available water is exchanged on orbital timescales, this may provide an efficient mechanism for the formation of the observed polar deposits. Within this context, GCM simulations of the martian water cycle have been performed for various obliquities ranging from 15 degrees to 45 degrees and for a large set of initial water ice locations to determine the rate of water exchange between the surface water reservoirs as a function of the obliquity. Propagating these rates over the last 10 Ma orbital history gives a possible recent evolution of these reservoirs.

A Multiple Scattering Polarized Radiative Transfer Model: Application to HD 189733b

NASA Astrophysics Data System (ADS)

Kopparla, Pushkar; Natraj, Vijay; Zhang, Xi; Swain, Mark R.; Wiktorowicz, Sloane J.; Yung, Yuk L.

2016-01-01

We present a multiple scattering vector radiative transfer model that produces disk integrated, full phase polarized light curves for reflected light from an exoplanetary atmosphere. We validate our model against results from published analytical and computational models and discuss a small number of cases relevant to the existing and possible near-future observations of the exoplanet HD 189733b. HD 189733b is arguably the most well observed exoplanet to date and the only exoplanet to be observed in polarized light, yet it is debated if the planet’s atmosphere is cloudy or clear. We model reflected light from clear atmospheres with Rayleigh scattering, and cloudy or hazy atmospheres with Mie and fractal aggregate particles. We show that clear and cloudy atmospheres have large differences in polarized light as compared to simple flux measurements, though existing observations are insufficient to make this distinction. Futhermore, we show that atmospheres that are spatially inhomogeneous, such as being partially covered by clouds or hazes, exhibit larger contrasts in polarized light when compared to clear atmospheres. This effect can potentially be used to identify patchy clouds in exoplanets. Given a set of full phase polarimetric measurements, this model can constrain the geometric albedo, properties of scattering particles in the atmosphere, and the longitude of the ascending node of the orbit. The model is used to interpret new polarimetric observations of HD 189733b in a companion paper.

Creating Two-Dimensional Electron Gas in Nonpolar/Nonpolar Oxide Interface via Polarization Discontinuity: First-Principles Analysis of CaZrO3/SrTiO3 Heterostructure.

PubMed

Nazir, Safdar; Cheng, Jianli; Yang, Kesong

2016-01-13

We studied strain-induced polarization and resulting conductivity in the nonpolar/nonpolar CaZrO3/SrTiO3 (CZO/STO) heterostructure (HS) system by means of first-principles electronic structure calculations. By modeling four types of CZO/STO HS-based slab systems, i.e., TiO2/CaO and SrO/ZrO2 interface models with CaO and ZrO2 surface terminations in each model separately, we found that the lattice-mismatch-induced compressive strain leads to a strong polarization in the CZO film and that as the CZO film thickness increases there exists an insulator-to-metal transition. The polarization direction and critical thickness of the CZO film for forming interfacial metallic states depend on the surface termination of CZO film in both types of interface models. In the TiO2/CaO and SrO/ZrO2 interface models with CaO surface termination, the strong polarization drives the charge transfer from the CZO film to the first few TiO2 layers in the STO substrate, leading to the formation of two-dimensional electron gas (2DEG) at the interface. In the HS models with ZrO2 surface termination, two polarization domains with opposite directions are in the CZO film, which results in the charge transfer from the middle CZO layer to the interface and surface, respectively, leading to the coexistence of the 2DEG on the interface and the two-dimensional hole gas (2DHG) at the middle CZO layer. These findings open a new avenue to achieve 2DEG (2DHG) in perovskite-based HS systems via polarization discontinuity.

PCM/TD-DFT analysis of 1-bromo-2,3-dichlorobenzene--a combined study of experimental (FT-IR and FT-Raman) and theoretical calculations.

PubMed

Arivazhagan, M; Muniappan, P; Meenakshi, R; Rajavel, G

2013-03-15

This study represents an integral approach towards understanding the electronic and structural aspects of 1-bromo-2,3-dichlorobenzene (BDCB). The experimental spectral bands were structurally assigned with the theoretical calculation, and the thermodynamic properties of the studied compound were obtained from the theoretically calculated frequencies. The relationship between the structure and absorption spectrum and effects of solvents have been discussed. It turns that the hybrid PBE1PBE functional with 6-311+G(d,p) basis provide reliable λ(max) when solvent effects are included in the model. The NBO analysis reveals that the studied compound presents a structural characteristic of electron-transfer within the compound. The frontier molecular orbitals (HOMO-LUMO) are responsible for the electron polarization and electron-transfer properties. The reactivity sites are identified by mapping the electron density into electrostatic potential surface (MESP). Besides, (13)C and (1)H have been calculated using the gauge-invariant atomic orbital (GIAO) method. The thermodynamic properties at different temperatures were calculated, revealing the correlations between standard heat capacity, standard entropy, standard enthalpy changes and temperatures. Furthermore, the studied compound can be used as a good nonlinear optical material due to the higher value of first hyper polarizability (5.7 times greater than that of urea (0.37289×10(-30) esu)). Finally, it is worth to mentioning that solvent induces a considerable red shift of the absorption maximum going from the gas phase, and a slight blue shift of the transition S(0)→S(1) going from less polar to more polar solvents. Copyright © 2012 Elsevier B.V. All rights reserved.

Measurements of GEp/GMp to high Q2 and search for 2{gamma} contribution in elastic ep at Jefferson Lab

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

Vina Punjabi, Charles Perdrisat

2010-05-01

The ratio, μpGEp/GMp, where μp is the proton magnetic moment, has been measured extensively over the last decade at the Jefferson Laboratory, using the polarization transfer method. This ratio is extracted directly from the measured ratio of transverse to longitudinal polarizations components of the recoiling proton in elastic electron-proton scattering. The polarization transfer results are of unprecedented high precision and accuracy, due in large part to the small systematic uncertainties associated with the experimental technique. Prior to these measurements, the form factors were empirically observed to exhibit dipole forms, such that μpGEp/GMp ≈ 1 over all regions of momentum transfermore » studied. With the Hall A results confirming that the ratio μpGEp/GMp shows a steady decrease below unity as a function of Q2, beginning around Q2 ≈ 1 GeV2, discussions revolving around the implication of this deviation from dipole behavior for the structure of the proton have been accompanied by renewed experimental interest in these elastic form factors. Starting in the fall of 2007, two new experiments, GEp-III and GEp-2γ in Hall C at JLab, measured the form factor ratio, GEp/GMp; the GEp-III experiment pushed the highest Q2 limit from 5.6 to 8.49 GeV2, with intermediate points at 5.2 and 6.8 GeV2, and the GEp-2γ experiment measured the ratio in three different kinematics at the constant value Q2=2.5 GeV2, by changing beam energy and detector angles. Preliminary results from both experiments are reported.« less

Intercomparison of Eight Forward 1D Vector Radiative Transfer Models, with the Performance of Satellite Aerosol Remote Sensing Algorithms in Mind

NASA Astrophysics Data System (ADS)

Davis, Anthony B.; Kalashnikova, Olga V.; Diner, David J.; Garay, Michael J.; Lyapustin, Alexei I.; Korkin, Sergey V.; Martonchik, John V.; Natraj, Vijay; Sanghavi, Suniti V.; Xu, Feng; Zhai, Pengwang; Rozanov, Vladimir V.; Kokhanovsky, Alexander A.

2014-05-01

Quantification and characterization of the omnipresent atmospheric aerosol by remote sensing methods is key to answering many challenging questions in atmospheric science, in climate modeling and in air quality monitoring foremost. In recent years, accurate measurement of the state of polarization of photon fluxes at optical sensors in the visible and near-IR spectrum has been hailed as a very promising approach to aerosol remote sensing. Consequently, there has been a flurry of activity in polarized or 'vector' radiative transfer (vRT) model development. This covers the multiple scattering and ground reflection aspects of sensor signal prediction that complement single-particle scattering computation, and lies at the core of all physics-based retrieval algorithms. One can legitimately ask: What level of model fidelity (representativeness of natural scenes) and what computational accuracy should be achieved for this task in view of the practical constraints that apply? These constraints are, at a minimum: (i) the desired accuracy of the retrieved aerosol properties, (ii) observational uncertainties, and (iii) operational efficiency requirements as determined by throughput. We offer a rational and balanced approach to address these questions and illustrate it with a systematic inter-comparison of the performance of a diverse set of 1D vRT models using a small but representative set of test cases. This 'JPL' benchmarking suite of cases is naturally divided into two parts. First the emphasis is on stratified atmospheres with a continuous mixture of molecular and aerosol scattering and absorption over a black surface, with the corresponding pure cases treated for diagnostic purposes. Then the emphasis shifts to the variety of surfaces, both polarizing and not, that can be encountered in real observations and may confuse the aerosol retrieval algorithm if not properly treated.

Exciplex mediated photoinduced electron transfer reactions of phthalocyanine-fullerene dyads.

PubMed

Niemi, Marja; Tkachenko, Nikolai V; Efimov, Alexander; Lehtivuori, Heli; Ohkubo, Kei; Fukuzumi, Shunichi; Lemmetyinen, Helge

2008-07-31

Evidences of an intramolecular exciplex intermediate in a photoinduced electron transfer (ET) reaction of double-linked free-base and zinc phthalocyanine-C60 dyads were found. This was the first time for a dyad with phthalocyanine donor. Excitation of the phthalocyanine moiety of the dyads results in rapid ET from phthalocyanine to fullerene via an exciplex state in both polar and nonpolar solvents. Relaxation of the charge-separated (CS) state Pc(*+)-C60(*-) in a polar solvent occurs directly to the ground state in 30-70 ps. In a nonpolar solvent, roughly 20% of the molecules undergo transition from the CS state to phthalocyanine triplet state (3)Pc*-C60 before relaxation to the ground state. Formation of the CS state was confirmed with electron spin resonance measurements at low temperature in both polar and nonpolar solvent. Reaction schemes for the photoinduced ET reactions of the dyads were completed with rate constants obtained from the time-resolved absorption and emission measurements and with state energies obtained from the fluorescence, phosphorescence, and voltammetric measurements.

Solid-state NMR characterization of cross-linking in EPDM/PP blends from 1H-13C polarization transfer dynamics.

PubMed

Aluas, Mihaela; Filip, Claudiu

2005-05-01

A novel approach for solid-state NMR characterization of cross-linking in polymer blends from the analysis of (1)H-(13)C polarization transfer dynamics is introduced. It extends the model of residual dipolar couplings under permanent cross-linking, typically used to describe (1)H transverse relaxation techniques, by considering a more realistic distribution of the order parameter along a polymer chain in rubbers. Based on a systematic numerical analysis, the extended model was shown to accurately reproduce all the characteristic features of the cross-polarization curves measured on such materials. This is particularly important for investigating blends of great technological potential, like thermoplastic elastomers, where (13)C high-resolution techniques, such as CP-MAS, are indispensable to selectively investigate structural and dynamical properties of the desired component. The validity of the new approach was demonstrated using the example of the CP build-up curves measured on a well resolved EPDM resonance line in a series of EPDM/PP blends.

Photophysics of a coumarin based Schiff base in solvents of varying polarities

NASA Astrophysics Data System (ADS)

Ghosh, Saptarshi; Roy, Nayan; Singh, T. Sanjoy; Chattopadhyay, Nitin

2018-01-01

The present work reports detailed photophysics of a coumarin based Schiff base, namely, (E)-7-(((8-hydroxyquinolin-2-yl)methylene)amino)-4-methyl-2H-chromen-2-one (HMC) in different solvents of varying polarity exploiting steady state absorption, fluorescence and time resolved fluorescence spectroscopy. The dominant photophysical features of HMC are discussed in terms of emission from an intramolecular charge transfer (ICT) excited state. Molecular orbital (MO) diagrams as obtained from DFT based computational analysis confirms the occurrence of charge transfer from 8‧-hydroxy quinoline moiety of the molecule to the coumarin part. The notable difference in the photophysical response of HMC from its analogous coumarin (C480) lies in a lower magnitude of fluorescence quantum yield of the former, particularly in the solvents of low polarity, which is rationalized by considering the higher rate of non-radiative decay of HMC in apolar solvents. Phosphorescence emission as well as phosphorescence lifetime of HMC has also been reported in 77 K frozen matrix.

Proton Magnetic Form Factor from Existing Elastic e-p Cross Section Data

NASA Astrophysics Data System (ADS)

Ou, Longwu; Christy, Eric; Gilad, Shalev; Keppel, Cynthia; Schmookler, Barak; Wojtsekhowski, Bogdan

2015-04-01

The proton magnetic form factor GMp, in addition to being an important benchmark for all cross section measurements in hadron physics, provides critical information on proton structure. Extraction of GMp from e-p cross section data is complicated by two-photon exchange (TPE) effects, where available calculations still have large theoretical uncertainties. Studies of TPE contributions to e-p scattering have observed no nonlinear effects in Rosenbluth separations. Recent theoretical investigations show that the TPE correction goes to 0 when ɛ approaches 1, where ɛ is the virtual photon polarization parameter. In this talk, existing e-p elastic cross section data are reanalyzed by extrapolating the reduced cross section for ɛ approaching 1. Existing polarization transfer data, which is supposed to be relatively immune to TPE effects, are used to produce a ratio of electric and magnetic form factors. The extrapolated reduced cross section and polarization transfer ratio are then used to calculate GEp and GMp at different Q2 values.

Measurement of the proton form factor ratio at low momentum transfer

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

Friedman, Moshe

Experiment E08-007-II measured the proton elastic form factor ratio μG E=G M in the momentum transfer range of Q 2 ~ 0.02 - 0.08 GeV 2, the lowest ever measured by polarization transfer techniques. The experiment was performed at the Thomas Jefferson National Accelerator Facility in Newport News, Virginia, USA during 2012. A polarized electron beam with energies of 1.1, 1.7, and 2.2 GeV was elastically scattered off a polarized solid NH 3 target. The asymmetries between the cross section of positive and negative helicity states of the beam were determined. These asymmetries can be used to determine the formmore » factor ratio. In this thesis, we present the asymmetry analysis of the experiment, discuss the main challenges and show preliminary results for part of the data. Preliminary asymmetries indicate an increase in the form factor ratio above unity. However, a complete analysis is required before any conclusion can be made. Further analysis is ongoing, and final asymmetry results and form factor extraction is expected during 2017. We also present first results for 14N asymmetries for elastic and quasi-elastic scattering. The measured asymmetries are in agreement with the shell model approximation, within the low accuracy of the measurement. A change in the asymmetry sign between the elastic and the quasi-elastic processes is seen, and should motivate further theoretical studies. These experimental asymmetries will also be useful for systematic studies of other experiments using polarized NH 3 targets.« less

Performance characterization of UV science cameras developed for the Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP)

NASA Astrophysics Data System (ADS)

Champey, P.; Kobayashi, K.; Winebarger, A.; Cirtain, J.; Hyde, D.; Robertson, B.; Beabout, D.; Beabout, B.; Stewart, M.

2014-07-01

The NASA Marshall Space Flight Center (MSFC) has developed a science camera suitable for sub-orbital missions for observations in the UV, EUV and soft X-ray. Six cameras will be built and tested for flight with the Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP), a joint National Astronomical Observatory of Japan (NAOJ) and MSFC sounding rocket mission. The goal of the CLASP mission is to observe the scattering polarization in Lyman-α and to detect the Hanle effect in the line core. Due to the nature of Lyman-α polarizationin the chromosphere, strict measurement sensitivity requirements are imposed on the CLASP polarimeter and spectrograph systems; science requirements for polarization measurements of Q/I and U/I are 0.1% in the line core. CLASP is a dual-beam spectro-polarimeter, which uses a continuously rotating waveplate as a polarization modulator, while the waveplate motor driver outputs trigger pulses to synchronize the exposures. The CCDs are operated in frame-transfer mode; the trigger pulse initiates the frame transfer, effectively ending the ongoing exposure and starting the next. The strict requirement of 0.1% polarization accuracy is met by using frame-transfer cameras to maximize the duty cycle in order to minimize photon noise. The CLASP cameras were designed to operate with ≤ 10 e-/pixel/second dark current, ≤ 25 e- read noise, a gain of 2.0 +- 0.5 and ≤ 1.0% residual non-linearity. We present the results of the performance characterization study performed on the CLASP prototype camera; dark current, read noise, camera gain and residual non-linearity.

Experimental generation of tripartite polarization entangled states of bright optical beams

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

Wu, Liang; Liu, Yanhong; Deng, Ruijie

The multipartite polarization entangled states of bright optical beams directly associating with the spin states of atomic ensembles are one of the essential resources in the future quantum information networks, which can be conveniently utilized to transfer and convert quantum states across a network composed of many atomic nodes. In this letter, we present the experimental demonstration of tripartite polarization entanglement described by Stokes operators of optical field. The tripartite entangled states of light at the frequency resonant with D1 line of Rubidium atoms are transformed into the continuous variable polarization entanglement among three bright optical beams via an opticalmore » beam splitter network. The obtained entanglement is confirmed by the extended criterion for polarization entanglement of multipartite quantized optical modes.« less

Radiative transfer modeling through terrestrial atmosphere and ocean accounting for inelastic processes: Software package SCIATRAN

NASA Astrophysics Data System (ADS)

Rozanov, V. V.; Dinter, T.; Rozanov, A. V.; Wolanin, A.; Bracher, A.; Burrows, J. P.

2017-06-01

SCIATRAN is a comprehensive software package which is designed to model radiative transfer processes in the terrestrial atmosphere and ocean in the spectral range from the ultraviolet to the thermal infrared (0.18-40 μm). It accounts for multiple scattering processes, polarization, thermal emission and ocean-atmosphere coupling. The main goal of this paper is to present a recently developed version of SCIATRAN which takes into account accurately inelastic radiative processes in both the atmosphere and the ocean. In the scalar version of the coupled ocean-atmosphere radiative transfer solver presented by Rozanov et al. [61] we have implemented the simulation of the rotational Raman scattering, vibrational Raman scattering, chlorophyll and colored dissolved organic matter fluorescence. In this paper we discuss and explain the numerical methods used in SCIATRAN to solve the scalar radiative transfer equation including trans-spectral processes, and demonstrate how some selected radiative transfer problems are solved using the SCIATRAN package. In addition we present selected comparisons of SCIATRAN simulations with those published benchmark results, independent radiative transfer models, and various measurements from satellite, ground-based, and ship-borne instruments. The extended SCIATRAN software package along with a detailed User's Guide is made available for scientists and students, who are undertaking their own research typically at universities, via the web page of the Institute of Environmental Physics (IUP), University of Bremen: http://www.iup.physik.uni-bremen.de.

Broadband polarized emission from P(NDI2OD-T2) polymer.

PubMed

Ulrich, Steve; Sutch, Tabitha; Szulczewski, Greg; Schweizer, Matthias; Barbosa, Newton; Araujo, Paulo

2018-05-18

We investigate the P(NDI2OD-T2) photophysical properties via absorbance and fluorescence spectroscopy, in association with the experimental approach baptized Stokes Spectroscopy, which provides valuable material information through the acquisition and analysis of the fluorescence polarization degree. By changing solvents and using different samples such as solutions, thick, and thin films, it is possible to control the polarization degree spectrum associated to the fluorescence emitted by the polymer's isolated chains and aggregates. We show that the polarization degree could become a powerful tool to obtain information related to the samples morphology, which is connected to their microscopic structure. Moreover, the polarization degree spectra suggest that depolarization effects linked to energy and charge transfer mechanisms are likely taking place. Our findings indicate that P(NDI2OD-T2) polymers are excellent candidates for the advancement of organic technologies that rely on the emission and detection of polarized lights. © 2018 IOP Publishing Ltd.

The impact of Faraday effects on polarized black hole images of Sagittarius A*.

NASA Astrophysics Data System (ADS)

Jiménez-Rosales, Alejandra; Dexter, Jason

2018-05-01

We study model images and polarization maps of Sagittarius A* at 230 GHz. We post-process GRMHD simulations and perform a fully relativistic radiative transfer calculation of the emitted synchrotron radiation to obtain polarized images for a range of mass accretion rates and electron temperatures. At low accretion rates, the polarization map traces the underlying toroidal magnetic field geometry. At high accretion rates, we find that Faraday rotation internal to the emission region can depolarize and scramble the map. We measure the net linear polarization fraction and find that high accretion rate "jet-disc" models are heavily depolarized and are therefore disfavoured. We show how Event Horizon Telescope measurements of the polarized "correlation length" over the image provide a model-independent upper limit on the strength of these Faraday effects, and constrain plasma properties like the electron temperature and magnetic field strength.

Broadband polarized emission from P(NDI2OD-T2) polymer

NASA Astrophysics Data System (ADS)

Ulrich, Steven V.; Sutch, Tabitha; Szulczewski, Greg; Schweizer, Matthias; Barbosa Neto, Newton M.; Araujo, Paulo T.

2018-07-01

We investigate the P(NDI2OD-T2) photophysical properties via absorbance and fluorescence spectroscopy, in association with the experimental approach baptized Stokes Spectroscopy, which provides valuable material information through the acquisition and analysis of the fluorescence polarization degree. By changing solvents and using different samples such as solutions, thick, and thin films, it is possible to control the polarization degree spectrum associated to the fluorescence emitted by the polymer’s isolated chains and aggregates. We show that the polarization degree could become a powerful tool to obtain information related to the samples morphology, which is connected to their microscopic structure. Moreover, the polarization degree spectra suggest that depolarization effects linked to energy and charge transfer mechanisms are likely taking place. Our findings indicate that P(NDI2OD-T2) polymers are excellent candidates for the advancement of organic technologies that rely on the emission and detection of polarized lights.

Enhanced bioelectricity generation and azo dye treatment in a reversible photo-bioelectrochemical cell by using novel anthraquinone-2,6-disulfonate (AQDS)/MnOx-doped polypyrrole film electrodes.

PubMed

Sun, Jian; Cai, Bihai; Xu, Wenjing; Huang, Yu; Zhang, Yaping; Peng, Yenping; Chang, Kenlin; Kuo, Jiahong; Chen, Kufan; Ning, Xunan; Liu, Guoguang; Wang, Yujie; Yang, Zuoyi; Liu, Jingyong

2017-02-01

A novel anthraquinone-2,6-disulfonate/MnO x -doped polypyrrole film (AQDS/Mn/PPy) electrode was prepared by one-step electropolymerization method and was used to improve performance of a reversible photo-bioelectrochemical cell (RPBEC). The RPBEC was operated in polarity reversion depended on dark/light reaction of alga Chlorella vulgaris by which sequential decolorization of azo dye and mineralization of decolorization products coupled with bioelectricity generation can be achieved. The results showed that formation of uniform AQDS/Mn/PPy film significantly enhanced electroactive surface area and electrocatalytic activity of carbon electrode. The RPBEC with AQDS/Mn/PPy electrodes demonstrated 77% increases in maximum power and 73% increases in Congo red decolorization rate before polarity reversion, and 198% increases in maximum power and 138% increases in decolorization products mineralization rate after polarity reversion, respectively, compared to the RPBEC with bare electrode. This was resulted from simultaneous dynamics improvement in half-reaction rate of anode and photo-biocathode due to enhanced electron transfer and algal-bacterial biofilm formation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Modeling of polarimetric BRDF characteristics of painted surfaces

NASA Astrophysics Data System (ADS)

Zhang, Ying; Wang, Zeying; Zhao, Huijie

2014-11-01

In this paper a pBRDF (polarimetric Bidirectional Reflectance Distribution Function) model of painted surfaces coupled with atmospheric polarization characteristics is built and the method of simulating polarimetric radiation reaching the imaging system is advanced. Firstly, the composition of the radiation reaching the sensor is analyzed. Then, the pBRDF model of painted surfaces is developed according to the microfacet theory presented by G. Priest and the downwelled skylight polarization is modeled based on the vector radiative transfer model RT3. Furthermore, the modeled polarization state of reflected light from the surfaces was achieved through integrating the directional polarimetric information of the whole hemisphere, adding the modeled polarimetric factors of incident diffused skylight. Finally, the polarimetric radiance reaching the sensor is summed up with the assumption that the target-sensor path is assumed to be negligible since it is relatively short in the current imaging geometry. The modeled results are related to the solar-sensor geometry, atmospheric conditions and the features of the painted surfaces. This result can be used to simulate the imaging under different weather conditions and further work for the validation experiments of the model need to be done.

Multichannel tunable omnidirectional photonic band gaps of 1D ternary photonic crystal containing magnetized cold plasma

NASA Astrophysics Data System (ADS)

Awasthi, Suneet Kumar; Panda, Ranjita; Chauhan, Prashant Kumar; Shiveshwari, Laxmi

2018-05-01

By using the transfer matrix method, theoretical investigations have been carried out in the microwave region to study the reflection properties of multichannel tunable omnidirectional photonic bandgaps (OPBGs) based on the magneto-optic Faraday effect. The proposed one dimensional ternary plasma photonic crystal consists of alternate layers of quartz, magnetized cold plasma (MCP), and air. In the absence of an external magnetic field, the proposed structure possesses two OPBGs induced by Bragg scattering and is strongly dependent on the incident angle, the polarization of the incident light, and the lattice constant unlike to the single-negative gap and zero- n ¯ gap. Next, the reflection properties of OPBGs have been made tunable by the application of external magnetic field under right hand and left hand polarization configurations. The results of this manuscript may be utilized for the development of a new kind of tunable omnidirectional band stop filter with ability to completely stop single to multiple bands (called channels) of microwave frequencies in the presence of external static magnetic field under left-hand polarization and right-hand polarization configurations, respectively. Moreover, outcomes of this study open a promising way to design tunable magneto-optical devices, omnidirectional total reflectors, and planar waveguides of high Q microcavities as a result of evanescent fields in the MCP layer to allow propagation of light.

On the microenvironment of polymers in solution. Pt. 2. Polarity of the polymer microenvironment in binary solvents

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

Strop, P.; Mikes, F.; Kalal, J.

1976-03-25

In Pt. 1 of this work, solvatochromic compounds embedded in polymer chains were used for measuring the polarity of their microenvironment. The semiempirical expression of the polarity of solvents by means of the energy of the charge-transfer (C-T) absorption band of 1-ethyl-4-carbomethylpyridinium iodide, as proposed by Kosower, was shown to be applicable in principle for measuring the polarity of the polymer microenvironment. In this present work, this approach was employed to measure the polarity of microenvironments of the synthetic polymers polymethacrylamide (PMA), poly(2-hydroxethyl methacrylate) (PHEMA), poly(2-vinylpyridine) (P-2VP), poly(4-vinylpyridine) (P-4VP), poly(methyl methacrylate) (PMMA), poly(butyl methacrylate) (PBMA), and polystyrene (PS) in binarymore » solvents and to compare them with the polarities of these solvents. It is concluded that comparisons with a solution with the same polarity expressed by the semi-empirical scale represents only the first approximation for characterizing the polymer microenvironment. (12 refs.)« less

Radiation and polarization signatures of the 3D multizone time-dependent hadronic blazar model

DOE PAGES

Zhang, Haocheng; Diltz, Chris; Bottcher, Markus

2016-09-23

We present a newly developed time-dependent three-dimensional multizone hadronic blazar emission model. By coupling a Fokker–Planck-based lepto-hadronic particle evolution code, 3DHad, with a polarization-dependent radiation transfer code, 3DPol, we are able to study the time-dependent radiation and polarization signatures of a hadronic blazar model for the first time. Our current code is limited to parameter regimes in which the hadronic γ-ray output is dominated by proton synchrotron emission, neglecting pion production. Our results demonstrate that the time-dependent flux and polarization signatures are generally dominated by the relation between the synchrotron cooling and the light-crossing timescale, which is largely independent ofmore » the exact model parameters. We find that unlike the low-energy polarization signatures, which can vary rapidly in time, the high-energy polarization signatures appear stable. Lastly, future high-energy polarimeters may be able to distinguish such signatures from the lower and more rapidly variable polarization signatures expected in leptonic models.« less

Performance Characterization of UV Science Cameras Developed for the Chromospheric Lyman-Alpha Spectro-Polarimeter

NASA Technical Reports Server (NTRS)

Champey, Patrick; Kobayashi, Ken; Winebarger, Amy; Cirtain, Jonathan; Hyde, David; Robertson, Bryan; Beabout, Brent; Beabout, Dyana; Stewart, Mike

2014-01-01

The NASA Marshall Space Flight Center (MSFC) has developed a science camera suitable for sub-orbital missions for observations in the UV, EUV and soft X-ray. Six cameras will be built and tested for flight with the Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP), a joint National Astronomical Observatory of Japan (NAOJ) and MSFC sounding rocket mission. The goal of the CLASP mission is to observe the scattering polarization in Lyman-alpha and to detect the Hanle effect in the line core. Due to the nature of Lyman-alpha polarization in the chromosphere, strict measurement sensitivity requirements are imposed on the CLASP polarimeter and spectrograph systems; science requirements for polarization measurements of Q/I and U/I are 0.1 percent in the line core. CLASP is a dual-beam spectro- polarimeter, which uses a continuously rotating waveplate as a polarization modulator, while the waveplate motor driver outputs trigger pulses to synchronize the exposures. The CCDs are operated in frame-transfer mode; the trigger pulse initiates the frame transfer, effectively ending the ongoing exposure and starting the next. The strict requirement of 0.1 percent polarization accuracy is met by using frame-transfer cameras to maximize the duty cycle in order to minimize photon noise. Coating the e2v CCD57-10 512x512 detectors with Lumogen-E coating allows for a relatively high (30 percent) quantum efficiency at the Lyman-alpha line. The CLASP cameras were designed to operate with a gain of 2.0 +/- 0.5, less than or equal to 25 e- readout noise, less than or equal to 10 e-/second/pixel dark current, and less than 0.1percent residual non-linearity. We present the results of the performance characterization study performed on the CLASP prototype camera; system gain, dark current, read noise, and residual non-linearity.

Strategies for the Hyperpolarization of Acetonitrile and Related Ligands by SABRE

PubMed Central

2014-01-01

We report on a strategy for using SABRE (signal amplification by reversible exchange) for polarizing 1H and 13C nuclei of weakly interacting ligands which possess biologically relevant and nonaromatic motifs. We first demonstrate this via the polarization of acetonitrile, using Ir(IMes)(COD)Cl as the catalyst precursor, and confirm that the route to hyperpolarization transfer is via the J-coupling network. We extend this work to the polarization of propionitrile, benzylnitrile, benzonitrile, and trans-3-hexenedinitrile in order to assess its generality. In the 1H NMR spectrum, the signal for acetonitrile is enhanced 8-fold over its thermal counterpart when [Ir(H)2(IMes)(MeCN)3]+ is the catalyst. Upon addition of pyridine or pyridine-d5, the active catalyst changes to [Ir(H)2(IMes)(py)2(MeCN)]+ and the resulting acetonitrile 1H signal enhancement increases to 20- and 60-fold, respectively. In 13C NMR studies, polarization transfers optimally to the quaternary 13C nucleus of MeCN while the methyl 13C is hardly polarized. Transfer to 13C is shown to occur first via the 1H–1H coupling between the hydrides and the methyl protons and then via either the 2J or 1J couplings to the respective 13Cs, of which the 2J route is more efficient. These experimental results are rationalized through a theoretical treatment which shows excellent agreement with experiment. In the case of MeCN, longitudinal two-spin orders between pairs of 1H nuclei in the three-spin methyl group are created. Two-spin order states, between the 1H and 13C nuclei, are also created, and their existence is confirmed for Me13CN in both the 1H and 13C NMR spectra using the Only Parahydrogen Spectroscopy protocol. PMID:25539423

Strategies for the hyperpolarization of acetonitrile and related ligands by SABRE.

PubMed

Mewis, Ryan E; Green, Richard A; Cockett, Martin C R; Cowley, Michael J; Duckett, Simon B; Green, Gary G R; John, Richard O; Rayner, Peter J; Williamson, David C

2015-01-29

We report on a strategy for using SABRE (signal amplification by reversible exchange) for polarizing (1)H and (13)C nuclei of weakly interacting ligands which possess biologically relevant and nonaromatic motifs. We first demonstrate this via the polarization of acetonitrile, using Ir(IMes)(COD)Cl as the catalyst precursor, and confirm that the route to hyperpolarization transfer is via the J-coupling network. We extend this work to the polarization of propionitrile, benzylnitrile, benzonitrile, and trans-3-hexenedinitrile in order to assess its generality. In the (1)H NMR spectrum, the signal for acetonitrile is enhanced 8-fold over its thermal counterpart when [Ir(H)2(IMes)(MeCN)3](+) is the catalyst. Upon addition of pyridine or pyridine-d5, the active catalyst changes to [Ir(H)2(IMes)(py)2(MeCN)](+) and the resulting acetonitrile (1)H signal enhancement increases to 20- and 60-fold, respectively. In (13)C NMR studies, polarization transfers optimally to the quaternary (13)C nucleus of MeCN while the methyl (13)C is hardly polarized. Transfer to (13)C is shown to occur first via the (1)H-(1)H coupling between the hydrides and the methyl protons and then via either the (2)J or (1)J couplings to the respective (13)Cs, of which the (2)J route is more efficient. These experimental results are rationalized through a theoretical treatment which shows excellent agreement with experiment. In the case of MeCN, longitudinal two-spin orders between pairs of (1)H nuclei in the three-spin methyl group are created. Two-spin order states, between the (1)H and (13)C nuclei, are also created, and their existence is confirmed for Me(13)CN in both the (1)H and (13)C NMR spectra using the Only Parahydrogen Spectroscopy protocol.

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

PubMed

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

2004-07-01

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

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

NASA Astrophysics Data System (ADS)

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

2004-07-01

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

D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.

PubMed

Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E; Villacampa, Belén; Casado, Juan; Andreu, Raquel

2015-12-18

Chromophores where a polyenic spacer separates a 4H-pyranylidene or benzothiazolylidene donor and three different butenolide nitriles have been synthesized and characterized. The role of 2(5H)-furanones as acceptor units on the polarization and the second-order nonlinear (NLO) properties has been studied. Thus, their incorporation gives rise to moderately polarized structures with NLO responses that compare favorably to those of related compounds featuring more efficient electron-withdrawing moieties. Derivatives of the proaromatic butenolide PhFu show the best nonlinearities. Benzothiazolylidene-containing chromophores present less alternated structures than their pyranylidene analogues, and, unlike most merocyanines, the degree of charge transfer does not decrease on lengthening the π-bridge.

Molecular electron recollision dynamics in intense circularly polarized laser pulses

NASA Astrophysics Data System (ADS)

Bandrauk, André D.; Yuan, Kai-Jun

2018-04-01

Extreme UV and x-ray table top light sources based on high-order harmonic generation (HHG) are focused now on circular polarization for the generation of circularly polarized attosecond pulses as new tools for controlling electron dynamics, such as charge transfer and migration and the generation of attosecond quantum electron currents for ultrafast magneto-optics. A fundamental electron dynamical process in HHG is laser induced electron recollision with the parent ion, well established theoretically and experimentally for linear polarization. We discuss molecular electron recollision dynamics in circular polarization by theoretical analysis and numerical simulation. The control of the polarization of HHG with circularly polarized ionizing pulses is examined and it is shown that bichromatic circularly polarized pulses enhance recollision dynamics, rendering HHG more efficient, especially in molecules because of their nonspherical symmetry. The polarization of the harmonics is found to be dependent on the compatibility of the rotational symmetry of the net electric field created by combinations of bichromatic circularly polarized pulses with the dynamical symmetry of molecules. We show how the field and molecule symmetry influences the electron recollision trajectories by a time-frequency analysis of harmonics. The results, in principle, offer new unique controllable tools in the study of attosecond molecular electron dynamics.