A terahertz in-line polarization converter based on through-via connected double layer slot structures

PubMed Central

Woo, Jeong Min; Hussain, Sajid; Jang, Jae-Hyung

2017-01-01

A terahertz (THz) in-line polarization converter that yields a polarization conversion ratio as high as 99.9% is demonstrated at 1 THz. It has double-layer slot structures oriented in orthogonal directions that are electrically connected by 1/8-wavelngth-long through-via holes beside the slot structures. The slots on the front metal-plane respond to the incident THz wave with polarization orthogonal to the slots and generates a circulating surface current around the slots. The surface current propagates along a pair of through-via holes that function as a two-wire transmission line. The propagating current generates a surface current around the backside slot structures oriented orthogonal to the slot structures on the front metal layer. The circulating current generates a terahertz wave polarized orthogonal to the backside slot structures and the 90° polarization conversion is completed. The re-radiating THz wave with 90° converted polarization propagates in the same direction as the incident THz wave. PMID:28211498

Wavelet analysis of polarization maps of polycrystalline biological fluids networks

NASA Astrophysics Data System (ADS)

Ushenko, Y. A.

2011-12-01

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

Challenges and opportunities for tissue-engineering polarized epithelium.

PubMed

Paz, Ana C; Soleas, John; Poon, James C H; Trieu, Dennis; Waddell, Thomas K; McGuigan, Alison P

2014-02-01

The epithelium is one of the most important tissue types in the body and the specific organization of the epithelial cells in these tissues is important for achieving appropriate function. Since many tissues contain an epithelial component, engineering functional epithelium and understanding the factors that control epithelial maturation and organization are important for generating whole artificial organ replacements. Furthermore, disruption of the cellular organization leads to tissue malfunction and disease; therefore, engineered epithelium could provide a valuable in vitro model to study disease phenotypes. Despite the importance of epithelial tissues, a surprisingly limited amount of effort has been focused on organizing epithelial cells into artificial polarized epithelium with an appropriate structure that resembles that seen in vivo. In this review, we provide an overview of epithelial tissue organization and highlight the importance of cell polarization to achieve appropriate epithelium function. We next describe the in vitro models that exist to create polarized epithelium and summarize attempts to engineer artificial epithelium for clinical use. Finally, we highlight the opportunities that exist to translate strategies from tissue engineering other tissues to generate polarized epithelium with a functional structure.

Precision measurements of g1 of the proton and of the deuteron with 6 GeV electrons

NASA Astrophysics Data System (ADS)

Prok, Y.; Bosted, P.; Kvaltine, N.; Adhikari, K. P.; Adikaram, D.; Aghasyan, M.; Amaryan, M. J.; Anderson, M. D.; Anefalos Pereira, S.; Avakian, H.; Baghdasaryan, H.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Biselli, A. S.; Bono, J.; Briscoe, W. J.; Brock, J.; Brooks, W. K.; Bültmann, S.; Burkert, V. D.; Carlin, C.; Carman, D. S.; Celentano, A.; Chandavar, S.; Colaneri, L.; Cole, P. L.; Contalbrigo, M.; Cortes, O.; Crabb, D.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dodge, G. E.; Doughty, D.; Dupre, R.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Fedotov, G.; Fegan, S.; Fersch, R.; Fleming, J. A.; Forest, T. A.; Garçon, M.; Garillon, B.; Gevorgyan, N.; Ghandilyan, Y.; Gilfoyle, G. P.; Girod, F. X.; Giovanetti, K. L.; Goetz, J. T.; Gohn, W.; Gothe, R. W.; Griffioen, K. A.; Guegan, B.; Guler, N.; Hafidi, K.; Hanretty, C.; Harrison, N.; Hattawy, M.; Hicks, K.; Ho, D.; Holtrop, M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jawalkar, S.; Jiang, X.; Jo, H. S.; Joo, K.; Kalantarians, N.; Keith, C.; Keller, D.; Khandaker, M.; Kim, A.; Kim, W.; Klein, A.; Klein, F. J.; Koirala, S.; Kubarovsky, V.; Kuhn, S. E.; Kuleshov, S. V.; Lenisa, P.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Markov, N.; Mayer, M.; McKinnon, B.; Meekins, D.; Mineeva, T.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Moutarde, H.; Movsisyan, A.; Munevar, E.; Munoz Camacho, C.; Nadel-Turonski, P.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Pappalardo, L. L.; Paremuzyan, R.; Park, K.; Peng, P.; Phillips, J. J.; Pierce, J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Protopopescu, D.; Puckett, A. J. R.; Raue, B. A.; Rimal, D.; Ripani, M.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Sabatié, F.; Saini, M. S.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seder, E.; Sharabian, Y. G.; Simonyan, A.; Smith, C.; Smith, G.; Sober, D. I.; Sokhan, D.; Stepanyan, S. S.; Stepanyan, S.; Strakovsky, I. I.; Strauch, S.; Sytnik, V.; Taiuti, M.; Tang, W.; Tkachenko, S.; Ungaro, M.; Vernarsky, B.; Vlassov, A. V.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Weinstein, L. B.; Zachariou, N.; Zana, L.; Zhang, J.; Zhao, B.; Zhao, Z. W.; Zonta, I.; CLAS Collaboration

2014-08-01

The inclusive polarized structure functions of the proton and deuteron, g1p and g1d, were measured with high statistical precision using polarized 6 GeV electrons incident on a polarized ammonia target in Hall B at Jefferson Laboratory. Electrons scattered at laboratory angles between 18 and 45 degrees were detected using the CEBAF Large Acceptance Spectrometer (CLAS). For the usual deep inelastic region kinematics, Q2>1 GeV2 and the final-state invariant mass W >2 GeV, the ratio of polarized to unpolarized structure functions g1/F1 is found to be nearly independent of Q2 at fixed x. Significant resonant structure is apparent at values of W up to 2.3 GeV. In the framework of perturbative quantum chromodynamics, the high-W results can be used to better constrain the polarization of quarks and gluons in the nucleon, as well as high-twist contributions.

Precision measurements of g1 of the proton and the deuteron with 6 GeV electrons

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

Prok, Yelena; Bosted, Peter; Kvaltine, Nicholas

2014-08-01

The inclusive polarized structure functions of the proton and deuteron, g1p and g1d, were measured with high statistical precision using polarized 6 GeV electrons incident on a polarized ammonia target in Hall B at Jefferson Laboratory. Electrons scattered at lab angles between 18 and 45 degrees were detected using the CEBAF Large Acceptance Spectrometer (CLAS). For the usual DIS kinematics, Q^2>1 GeV^2 and the final-state invariant mass W>2 GeV, the ratio of polarized to unpolarized structure functions g1/F1 is found to be nearly independent of Q^2 at fixed x. Significant resonant structure is apparent at values of W up tomore » 2.3 GeV. In the framework of perturbative QCD, the high-W results can be used to better constrain the polarization of quarks and gluons in the nucleon, as well as high-twist contributions.« less

Electronic structure and electric polarity of edge-functionalized graphene nanoribbons

NASA Astrophysics Data System (ADS)

Taira, Remi; Yamanaka, Ayaka; Okada, Susumu

2017-08-01

On the basis of the density functional theory combined with the effective screening medium method, we studied the electronic structure of graphene nanoribbons with zigzag edges, which are terminated by functional groups. The work function of the nanoribbons is sensitive to the functional groups. The edge state inherent in the zigzag edges is robust against edge functionalization. OH termination causes the injection of electrons into the nearly free electron states situated alongside the nanoribbons, resulting in the formation of free electron channels outside the nanoribbons. We also demonstrated that the polarity of zigzag graphene nanoribbons is controllable by the asymmetrical functionalization of their edges.

Synchrotron-radiation X-ray diffraction evidence of the emergence of ferroelectricity in LiTaO3 by ordering of a disordered Li ion in the polar direction

NASA Astrophysics Data System (ADS)

Zhang, Zhi-Gang; Abe, Tomohiro; Moriyoshi, Chikako; Tanaka, Hiroshi; Kuroiwa, Yoshihiro

2018-07-01

Synchrotron-radiation X-ray diffraction studies as a function of temperature reveal the structural origin of the spontaneous polarization and related lattice strains in stoichiometric LiTaO3. Electron charge density distribution maps visualized by the maximum entropy method clearly demonstrate that ordering of the disordered Li ion in the polar direction accompanied by deformation of the oxygen octahedra lead to the ferroelectric phase transition. The ionic polarization attributed to the ionic displacements is dominant in the polar structure. The structural change occurs continuously at the phase transition temperature, which suggests a second-order phase transition.

An Automated Ab Initio Framework for Identifying New Ferroelectrics

NASA Astrophysics Data System (ADS)

Smidt, Tess; Reyes-Lillo, Sebastian E.; Jain, Anubhav; Neaton, Jeffrey B.

Ferroelectric materials have a wide-range of technological applications including non-volatile RAM and optoelectronics. In this work, we present an automated first-principles search for ferroelectrics. We integrate density functional theory, crystal structure databases, symmetry tools, workflow software, and a custom analysis toolkit to build a library of known and proposed ferroelectrics. We screen thousands of candidates using symmetry relations between nonpolar and polar structure pairs. We use two search strategies 1) polar-nonpolar pairs with the same composition and 2) polar-nonpolar structure type pairs. Results are automatically parsed, stored in a database, and accessible via a web interface showing distortion animations and plots of polarization and total energy as a function of distortion. We benchmark our results against experimental data, present new ferroelectric candidates found through our search, and discuss future work on expanding this search methodology to other material classes such as anti-ferroelectrics and multiferroics.

Novel wideband microwave polarization network using a fully-reconfigurable photonic waveguide interleaver with a two-ring resonator-assisted asymmetric Mach-Zehnder structure.

PubMed

Zhuang, Leimeng; Beeker, Willem; Leinse, Arne; Heideman, René; van Dijk, Paulus; Roeloffzen, Chris

2013-02-11

We propose and demonstrate a novel wideband microwave photonic polarization network for dual linear-polarized antennas. The polarization network is based on a waveguide-implemented fully-reconfigurable optical interleaver using a two-ring resonator-assisted asymmetric Mach-Zehnder structure. For microwave photonic signal processing, this structure is able to serve as a wideband 2 × 2 RF coupler with reconfigurable complex coefficients, and therefore can be used as a polarization network for wideband antennas. Such a device can equip the antennas with not only the polarization rotation capability for linear-polarization signals but also the capability to operate with and tune between two opposite circular polarizations. Operating together with a particular modulation scheme, the device is also able to serve for simultaneous feeding of dual-polarization signals. These photonic-implemented RF functionalities can be applied to wideband antenna systems to perform agile polarization manipulations and tracking operations. An example of such a interleaver has been realized in TriPleX waveguide technology, which was designed with a free spectral range of 20 GHz and a mask footprint of smaller than 1 × 1 cm. Using the realized device, the reconfigurable complex coefficients of the polarization network were demonstrated with a continuous bandwidth from 2 to 8 GHz and an in-band phase ripple of smaller than 5 degree. The waveguide structure of the device allows it to be further integrated with other functional building blocks of a photonic integrated circuit to realize on-chip, complex microwave photonic processors. Of particular interest, it can be included in an optical beamformer for phased array antennas, so that simultaneous wideband beam and polarization trackings can be achieved photonically. To our knowledge, this is the first-time on-chip demonstration of an integrated microwave photonic polarization network for dual linear-polarized antennas.

Polarized lepton-nucleon scattering

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

Hughes, E.

1994-12-01

The author provides a summary of the proposed and published statistical (systematic) uncertainties from the world experiments on nucleon spin structure function integrals. By the time these programs are complete, there will be a vast resource of data on nucleon spin structure functions. Each program has quite different experimental approaches regarding the beams, targets, and spectrometers thus ensuring systematically independent tests of the spin structure function measurements. Since the field of spin structure function measurements began, there has been a result appearing approximately every five years. With advances in polarized target technology and high polarization in virtually all of themore » lepton beams, results are now coming out each year; this is a true signature of the growth in the field. Hopefully, the experiments will provide a consistent picture of nucleon spin structure at their completion. In summary, there are still many open questions regarding the internal spin structure of the nucleon. Tests of QCD via the investigation of the Bjorken sum rule is a prime motivator for the field, and will continue with the next round of precision experiments. The question of the origin of spin is still a fundamental problem. Researchers hope is that high-energy probes using spin will shed light on this intriguing mystery, in addition to characterizing the spin structure of the nucleon.« less

Irregular bilayer structure in vesicles prepared from Halobacterium cutirubrum lipids

NASA Technical Reports Server (NTRS)

Lanyi, J. K.

1974-01-01

Fluorescent probes were used to study the structure of the cell envelope of Halobacterium cutirubrum, and, in particular, to explore the effect of the heterogeneity of the lipids in this organism on the structure of the bilayers. The fluorescence polarization of perylene was followed in vesicles of unfractionated lipids and polar lipids as a function of temperature in 3.4 M solutions of NaCl, NaNO3, and KSCN, and it was found that vesicles of unfractionated lipids were more perturbed by chaotropic agents than polar lipids. The dependence of the relaxation times of perylene on temperature was studied in cell envelopes and in vesicles prepared from polar lipids, unfractionated lipids, and mixtures of polar and neutral lipids.

Neutral-current weak interactions at an EIC

DOE PAGES

Zhao, Y. X.; Deshpande, A.; Huang, J.; ...

2017-03-21

Here, a simulation study of measurements of neutral current structure functions of the nucleon at the future high-energy and high-luminosity polarized electron-ion collider (EIC) is presented. A new series of γ-Z interference structure functions, F γZ 1, F γZ 3, g γZ 1, g γZ 5 become accessible via parity-violating asymmetries in polarized electron-nucleon deep inelastic scattering (DIS). Within the context of the quark-parton model, they provide a unique and, in some cases, yet-unmeasured combination of unpolarized and polarized parton distribution functions. The uncertainty projections for these structure functions using electron-proton collisions are considered for various EIC beam energy configurations.more » Also presented are uncertainty projections for measurements of the weak mixing angle sin 2θ W using electron-deuteron collisions which cover a much higher Q 2 than that accessible in fixed target measurements. QED and QCD radiative corrections and effects of detector smearing are included with the calculations.« less

Decoupling of the Leading Order DGLAP Evolution Equation with Spin Dependent Structure Functions

NASA Astrophysics Data System (ADS)

Azadbakht, F. Teimoury; Boroun, G. R.

2018-02-01

We propose an analytical solution for DGLAP evolution equations with polarized splitting functions at the Leading Order (LO) approximation based on the Laplace transform method. It is shown that the DGLAP evolution equations can be decoupled completely into two second order differential equations which then are solved analytically by using the initial conditions δ FS(x,Q2)=F[partial δ FS0(x), δ FS0(x)] and {δ G}(x,Q2)=G[partial δ G0(x), δ G0(x)]. We used this method to obtain the polarized structure function of the proton as well as the polarized gluon distribution function inside the proton and compared the numerical results with experimental data of COMPASS, HERMES, and AAC'08 Collaborations. It was found that there is a good agreement between our predictions and the experiments.

Polarized fine structure in the photoluminescence excitation spectrum of a negatively charged quantum dot.

PubMed

Ware, M E; Stinaff, E A; Gammon, D; Doty, M F; Bracker, A S; Gershoni, D; Korenev, V L; Bădescu, S C; Lyanda-Geller, Y; Reinecke, T L

2005-10-21

We report polarized photoluminescence excitation spectroscopy of the negative trion in single charge-tunable quantum dots. The spectrum exhibits a p-shell resonance with polarized fine structure arising from the direct excitation of the electron spin triplet states. The energy splitting arises from the axially symmetric electron-hole exchange interaction. The magnitude and sign of the polarization are understood from the spin character of the triplet states and a small amount of quantum dot asymmetry, which mixes the wave functions through asymmetric e-e and e-h exchange interactions.

Rear-polarized Wnt5a-receptor-actin-myosin-polarity (WRAMP) structures promote the speed and persistence of directional cell migration

PubMed Central

Connacher, Mary Katherine; Tay, Jian Wei; Ahn, Natalie G.

2017-01-01

In contrast to events at the cell leading edge, rear-polarized mechanisms that control directional cell migration are poorly defined. Previous work described a new intracellular complex, the Wnt5a-receptor-actomyosin polarity (WRAMP) structure, which coordinates the polarized localization of MCAM, actin, and myosin IIB in a Wnt5a-induced manner. However, the polarity and function for the WRAMP structure during cell movement were not determined. Here we characterize WRAMP structures during extended cell migration using live-cell imaging. The results demonstrate that cells undergoing prolonged migration show WRAMP structures stably polarized at the rear, where they are strongly associated with enhanced speed and persistence of directional movement. Strikingly, WRAMP structures form transiently, with cells displaying directional persistence during periods when they are present and cells changing directions randomly when they are absent. Cells appear to pause locomotion when WRAMP structures disassemble and then migrate in new directions after reassembly at a different location, which forms the new rear. We conclude that WRAMP structures represent a rear-directed cellular mechanism to control directional migration and that their ability to form dynamically within cells may control changes in direction during extended migration. PMID:28592632

The g$$p\\atop{2}$$ Experiment: A Measurement of the Proton's Spin Structure Functions

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

Zielinski, Ryan B.

The E08-027 (gmore » $$p\\atop{2}$$) experiment measured the spin structure functions of the proton at Jefferson Laboratory in Newport News, Va. Longitudinally polarized electrons were scattered from a transversely and longitudinally polarized solid ammonia target in Hall A, with the polarized NH$$_3$$ acting as an effective proton target. Focusing on small scattering angle events at the electron energies available at Jefferson Lab, the experiment covered a kinematic phase space of 0.02 GeV$^2$ $< Q^2 <$ 0.20 GeV$^2$ in the proton's resonance region. The spin structure functions, $$g_{1}^p(x,Q^2)$$ and $$g_{2}^p(x,Q^2)$$ , are extracted from an inclusive polarized cross section measurement of the electron-proton interaction. Integrated moments of $$g_1(x,Q^2)$$ are calculated and compared to theoretical predictions made by Chiral Perturbation Theory. The $$g_1(x,Q^2)$$ results are in agreement with previous measurements, but include a significant increase in statistical precision. The spin structure function contributions to the hyperfine energy levels in the hydrogen atom are also investigated. The $$g_2(x,Q^2)$$ measured contribution to the hyperfine splitting is the first ever experimental determination of this quantity. The results of this thesis suggest a disagreement of over 100% with previously published model results.« less

Fine structure and optical properties of biological polarizers in crustaceans and cephalopods

NASA Astrophysics Data System (ADS)

Chiou, Tsyr-Huei; Caldwell, Roy L.; Hanlon, Roger T.; Cronin, Thomas W.

2008-04-01

The lighting of the underwater environment is constantly changing due to attenuation by water, scattering by suspended particles, as well as the refraction and reflection caused by the surface waves. These factors pose a great challenge for marine animals which communicate through visual signals, especially those based on color. To escape this problem, certain cephalopod mollusks and stomatopod crustaceans utilize the polarization properties of light. While the mechanisms behind the polarization vision of these two animal groups are similar, several distinctive types of polarizers (i.e. the structure producing the signal) have been found in these animals. To gain a better knowledge of how these polarizers function, we studied the relationships between fine structures and optical properties of four types of polarizers found in cephalopods and stomatopods. Although all the polarizers share a somewhat similar spectral range, around 450- 550 nm, the reflectance properties of the signals and the mechanisms used to produce them have dramatic differences. In cephalopods, stack-plates polarizers produce the polarization patterns found on the arms and around their eyes. In stomatopods, we have found one type of beam-splitting polarizer based on photonic structures and two absorptive polarizer types based on dichroic molecules. These stomatopod polarizers may be found on various appendages, and on the cuticle covering dorsal or lateral sides of the animal. Since the efficiencies of all these polarizer types are somewhat sensitive to the change of illumination and viewing angle, how these animals compensate with different behaviors or fine structural features of the polarizer also varies.

Structure-Function Study of Tertiary Amines as Switchable Polarity Solvents

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

Aaron D. Wilson; Frederick F. Stewart

2014-02-01

A series of tertiary amines have been screened for their function as switchable polarity solvents (SPS). The relative ratios of tertiary amine and carbonate species as well as maximum possible concentration were determined through quantitative 1H and 13C NMR spectroscopy. The viscosities of the polar SPS solutions were measured and ranged from near water in dilute systems through to gel formation at high concentrations. The van't Hoff indices for SPS solutions were measured through freezing point depression studies as a proxy for osmotic pressures. A new form of SPS with an amine : carbonate ratio significantly greater than unity hasmore » been identified. Tertiary amines that function as SPS at ambient pressures appear to be limited to molecules with fewer than 12 carbons. The N,N-dimethyl-n-alkylamine structure has been identified as important to the function of an SPS.« less

Comparative studies of efficiency droop in polar and non-polar InGaN quantum wells

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

Davies, M. J.; Dawson, P.; Hammersley, S.

We report on a comparative study of efficiency droop in polar and non-polar InGaN quantum well structures at T = 10 K. To ensure that the experiments were carried out with identical carrier densities for any particular excitation power density, we used laser pulses of duration ∼100 fs at a repetition rate of 400 kHz. For both types of structures, efficiency droop was observed to occur for carrier densities of above 7 × 10{sup 11 }cm{sup −2 }pulse{sup −1} per quantum well; also both structures exhibited similar spectral broadening in the droop regime. These results show that efficiency droop is intrinsic in InGaN quantum wells, whether polar or non-polar,more » and is a function, specifically, of carrier density.« less

Polarized Fine Structure in the Photoluminescence Excitation Spectrum of a Negatively Charged Quantum Dot

NASA Astrophysics Data System (ADS)

Ware, M. E.; Stinaff, E. A.; Gammon, D.; Doty, M. F.; Bracker, A. S.; Gershoni, D.; Korenev, V. L.; Bădescu, Ş. C.; Lyanda-Geller, Y.; Reinecke, T. L.

2005-10-01

We report polarized photoluminescence excitation spectroscopy of the negative trion in single charge-tunable InAs/GaAs quantum dots. The spectrum exhibits a p-shell resonance with polarized fine structure arising from the direct excitation of the electron spin triplet states. The energy splitting arises from the axially symmetric electron-hole exchange interaction. The magnitude and sign of the polarization are understood from the spin character of the triplet states and a small amount of quantum dot asymmetry, which mixes the wave functions through asymmetric e-e and e-h exchange interactions.

Imaging of dental material by polarization-sensitive optical coherence tomography

NASA Astrophysics Data System (ADS)

Dichtl, Sabine; Baumgartner, Angela; Hitzenberger, Christoph K.; Moritz, Andreas; Wernisch, Johann; Robl, Barbara; Sattmann, Harald; Leitgeb, Rainer; Sperr, Wolfgang; Fercher, Adolf F.

1999-05-01

Partial coherence interferometry (PCI) and optical coherence tomography (OCT) are noninvasive and noncontact techniques for high precision biometry and for obtaining cross- sectional images of biologic structures. OCT was initially introduced to depict the transparent tissue of the eye. It is based on interferometry employing the partial coherence properties of a light source with high spatial coherence ut short coherence length to image structures with a resolution of the order of a few microns. Recently this technique has been modified for cross section al imaging of dental and periodontal tissues. In vitro and in vivo OCT images have been recorded, which distinguish enamel, cemento and dentin structures and provide detailed structural information on clinical abnormalities. In contrast to convention OCT, where the magnitude of backscattered light as a function of depth is imaged, polarization sensitive OCT uses backscattered light to image the magnitude of the birefringence in the sample as a function of depth. First polarization sensitive OCT recordings show, that changes in the mineralization status of enamel or dentin caused by caries or non-caries lesions can result in changes of the polarization state of the light backscattered by dental material. Therefore polarization sensitive OCT might provide a new diagnostic imaging modality in clinical and research dentistry.

Continuously wavelength-tunable passband-flattened fiber comb filter based on polarization-diversified loop structure.

PubMed

Jung, Jaehoon; Lee, Yong Wook

2017-08-16

Continuous wavelength tuning of optical comb filters, which is an essential functionality for flexible signal processing in reconfigurable optical systems, has been challenging in high order filter structures with two birefringent elements (BEs) or more due to cumbersomeness in finding a combination of waveplates and BEs and complexity in determining their individual azimuthal orientations. Here, we propose a continuously tunable polarization-independent passband-flattened fiber comb filter with two BEs using a polarization-diversified loop structure for the first time. The proposed filter consists of a polarization beam splitter and two groups of a half-wave plate, quarter-wave plate, and polarization-maintaining fiber (PMF). The azimuthal orientation of PMF in the second group is fixed as 22.5°. Orientation angle sets of the four waveplates, which can induce an arbitrary phase shift from 0 to 2π in the passband-flattened transmittance function, are found from the filter transmittance derived using Jones matrix formulation. From theoretical spectral analysis, it is confirmed that passband-flattened comb spectra can be continuously tuned. Theoretical prediction is verified by experimental demonstration. Moreover, the wavelength-dependent evolution of the output state of polarization (SOP) of each PMF is investigated on the Poincare sphere, and the relationship between wavelength tuning and SOP evolution is also discussed.

Tunable dichroic polarization beam splitter created by one-step holographic photoalignment using four-beam polarization interferometry

NASA Astrophysics Data System (ADS)

Kawai, Kotaro; Sakamoto, Moritsugu; Noda, Kohei; Sasaki, Tomoyuki; Kawatsuki, Nobuhiro; Ono, Hiroshi

2017-01-01

A tunable dichroic polarization beam splitter (tunable DPBS) simultaneously performs the follow functions: 1. Separation of a polarized incident beam into multiple pairs of orthogonally polarized beams; 2. Separation of the propagation direction of two wavelength incident beams after passing through the tunable DPBS; and 3. Control of both advanced polarization and wavelength separation capabilities by varying the temperature of the tunable DPBS. This novel complex optical property is realized by diffraction phenomena using a designed three-dimensional periodic structure of aligned liquid crystals in the tunable DPBS, which was fabricated quickly with precision in a one-step photoalignment using four-beam polarization interferometry. In experiments, we demonstrated that these diffraction properties are obtained by entering polarized beams of wavelengths 532 nm and 633 nm onto the tunable DPBS. These diffraction properties are described using the Jones calculus in a polarization propagation analysis. Of significance is that the aligned liquid crystal structure needed to obtain these diffraction properties was proposed based on a theoretical analysis, and these properties were then demonstrated experimentally. The tunable DPBS can perform several functions of a number of optical elements such as wave plates, polarization beam splitter, dichroic beam splitter, and tunable wavelength filter. Therefore, the tunable DPBS can contribute to greater miniaturization, sophistication, and cost reduction of optical systems used widely in applications, such as optical measurements, communications, and information processing.

Introducing double polar heads to highly fluorescent Thiazoles: Influence on supramolecular structures and photonic properties.

PubMed

Kaufmann, M; Hupfer, M L; Sachse, T; Herrmann-Westendorf, F; Weiß, D; Dietzek, B; Beckert, R; Presselt, M

2018-04-30

Supramolecular structures determine properties of optoelectronically active materials and can be tailored via the Langmuir-Blodgett (LB) technique. Interactions between dyes can cause high crystallinities of Langmuir monolayers, thus rendering retaining their integrity during the LB-deposition challenging. However, increasing degrees of freedom exclusively at the polar anchoring moieties of dyes might improve processability without perturbing the dye's optoelectronic properties nor the function-determining crystallinity of the layer. (Amphiphilic) thiazole dyes without, with a mono-polar, and with a double-polar anchor were synthesized, whereas the two constituting polar moieties of the latter derivate are separated by a flexible alkyl chain. The supramolecular structures and crystallinities of Langmuir and LB monolayers were characterized by means of LB isotherms, atomic force microscopy and polarization-resolved fluorescence spectroscopy. As compared to the mono-polar reference the introduction of a flexible double-polar head did not deteriorate UV-vis absorption, emission or electrochemical properties of the thiazole but significantly extended the range of constant compressibility modulus, thus indicating improved processability of the Langmuir monolayers. Indeed, AFM studies revealed that the integrity of the monolayers could be retained during LB-deposition. Additionally, also the underlying supramolecular structure of the chromophore moieties is largely identical to those obtained from the mono-polar reference thiazoles. Copyright © 2018. Published by Elsevier Inc.

Advantages and mechanisms of polarity and cell shape determination in Caulobacter crescentus.

PubMed

Lawler, Melanie L; Brun, Yves V

2007-12-01

The tremendous diversity of bacterial cell shapes and the targeting of proteins and macromolecular complexes to specific subcellular sites strongly suggest that cellular organization provides important advantages to bacteria in their environment. Key advances have been made in the understanding of the mechanism and function of polarity and cell shape by studying the aquatic bacterium Caulobacter crescentus, whose cell cycle progression involves the ordered synthesis of different polar structures, and culminates in the biosynthesis of a thin polar cell envelope extension called the stalk. Recent results indicate that the important function of polar development is to maximize cell attachment to surfaces and to improve nutrient uptake by nonmotile and attached cells. Major progress has been made in understanding the regulatory network that coordinates polar development and morphogenesis and the role of polar localization of regulatory proteins.

The structure of liquid water by polarized neutron diffraction and reverse Monte Carlo modelling.

PubMed

Temleitner, László; Pusztai, László; Schweika, Werner

2007-08-22

The coherent static structure factor of water has been investigated by polarized neutron diffraction. Polarization analysis allows us to separate the huge incoherent scattering background from hydrogen and to obtain high quality data of the coherent scattering from four different mixtures of liquid H(2)O and D(2)O. The information obtained by the variation of the scattering contrast confines the configurational space of water and is used by the reverse Monte Carlo technique to model the total structure factors. Structural characteristics have been calculated directly from the resulting sets of particle coordinates. Consistency with existing partial pair correlation functions, derived without the application of polarized neutrons, was checked by incorporating them into our reverse Monte Carlo calculations. We also performed Monte Carlo simulations of a hard sphere system, which provides an accurate estimate of the information content of the measured data. It is shown that the present combination of polarized neutron scattering and reverse Monte Carlo structural modelling is a promising approach towards a detailed understanding of the microscopic structure of water.

Nonequilibrium fluctuations in metaphase spindles: polarized light microscopy, image registration, and correlation functions

NASA Astrophysics Data System (ADS)

Brugués, Jan; Needleman, Daniel J.

2010-02-01

Metaphase spindles are highly dynamic, nonequilibrium, steady-state structures. We study the internal fluctuations of spindles by computing spatio-temporal correlation functions of movies obtained from quantitative polarized light microscopy. These correlation functions are only physically meaningful if corrections are made for the net motion of the spindle. We describe our image registration algorithm in detail and we explore its robustness. Finally, we discuss the expression used for the estimation of the correlation function in terms of the nematic order of the microtubules which make up the spindle. Ultimately, studying the form of these correlation functions will provide a quantitative test of the validity of coarse-grained models of spindle structure inspired from liquid crystal physics.

Measurement of the polarized structure function σLT' for p(e→,e'p)π0 in the Δ(1232) resonance region

NASA Astrophysics Data System (ADS)

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

2003-09-01

The polarized longitudinal-transverse structure function σLT' has been measured in the Δ(1232) resonance region at Q2=0.40 and 0.65 GeV2. Data for the p(e→,e'p)π0 reaction were taken at Jefferson Lab with the CEBAF large acceptance spectrometer (CLAS) using longitudinally polarized electrons at an energy of 1.515 GeV. For the first time a complete angular distribution was measured, permitting the separation of different nonresonant amplitudes using a partial wave analysis. Comparison with previous beam asymmetry measurements at MAMI indicate a deviation from the predicted Q2 dependence of σLT' using recent phenomenological models.

Evaluation of the active functional groups and structural rearrangement of parthenolide derivatives on their potential anticancer activity

NASA Astrophysics Data System (ADS)

Srakaew, Veeranuch; Tachaboonyakiat, Wanpen

2017-05-01

Two parthenolide derivatives (PDs) were synthesized by chemical modification of parthenolide with concentrated hydrochloric acid and to evaluate their cytotoxicity to Hep-G2 cells in terms of their active functional groups and polarity. The chemical structures of the PDs were characterized by Fourier transform infrared, nuclear magnetic resonance and high resolution mass spectroscopy. Two PDs (PD1 and PD2) were fractionated by silica gel column chromatography with a Rf of 0.37 and 0.19, respectively, in a 1:1 (v/v) hexane: ethyl acetate mobile phase, indicating that PD1 was less polar than PD2. Compared to the parent parthenolide, both PD1 and PD2 had lost the active carbon-carbon double bond and epoxide functional groups, but retained the active 14-methyl and α-methylene-γ-butyrolactone groups. Although PD1 and PD2 possessed similar functional groups, they differed in their structural arrangement and consequentially their polarity. PD1 and PD2 exhibited an in vitro IC50 against the Hep-G2 cell line of 41.0 and 94.0 μg/ml, respectively, which was weaker than that for parthenolide (<1 μg/ml). Thus, the ranked polarity of PD2 > PD1 > parthenolide was inversely related to their cytotoxicity against the Hep-G2 cell line (parthenolide > PD1 > PD2). The obtained PDs may be potential novel anticancer substances.

Automated polarization control for the precise alignment of laser-induced self-organized nanostructures

NASA Astrophysics Data System (ADS)

Hermens, Ulrike; Pothen, Mario; Winands, Kai; Arntz, Kristian; Klocke, Fritz

2018-02-01

Laser-induced periodic surface structures (LIPSS) found in particular applications in the fields of surface functionalization have been investigated since many years. The direction of these ripple structures with a periodicity in the nanoscale can be manipulated by changing the laser polarization. For industrial use, it is useful to manipulate the direction of these structures automatically and to obtain smooth changes of their orientation without any visible inhomogeneity. However, currently no system solution exists that is able to control the polarization direction completely automated in one software solution so far. In this paper, a system solution is presented that includes a liquid crystal polarizer to control the polarization direction. It is synchronized with a scanner, a dynamic beam expander and a five axis-system. It provides fast switching times and small step sizes. First results of fabricated structures are also presented. In a systematic study, the conjunction of LIPSS with different orientation in two parallel line scans has been investigated.

Defect-Induced Hedgehog Polarization States in Multiferroics

NASA Astrophysics Data System (ADS)

Li, Linze; Cheng, Xiaoxing; Jokisaari, Jacob R.; Gao, Peng; Britson, Jason; Adamo, Carolina; Heikes, Colin; Schlom, Darrell G.; Chen, Long-Qing; Pan, Xiaoqing

2018-03-01

Continuous developments in nanotechnology require new approaches to materials synthesis that can produce novel functional structures. Here, we show that nanoscale defects, such as nonstoichiometric nanoregions (NSNRs), can act as nano-building blocks for creating complex electrical polarization structures in the prototypical multiferroic BiFeO3 . An array of charged NSNRs are produced in BiFeO3 thin films by tuning the substrate temperature during film growth. Atomic-scale scanning transmission electron microscopy imaging reveals exotic polarization rotation patterns around these NSNRs. These polarization patterns resemble hedgehog or vortex topologies and can cause local changes in lattice symmetries leading to mixed-phase structures resembling the morphotropic phase boundary with high piezoelectricity. Phase-field simulations indicate that the observed polarization configurations are mainly induced by charged states at the NSNRs. Engineering defects thus may provide a new route for developing ferroelectric- or multiferroic-based nanodevices.

Defect-Induced Hedgehog Polarization States in Multiferroics.

PubMed

Li, Linze; Cheng, Xiaoxing; Jokisaari, Jacob R; Gao, Peng; Britson, Jason; Adamo, Carolina; Heikes, Colin; Schlom, Darrell G; Chen, Long-Qing; Pan, Xiaoqing

2018-03-30

Continuous developments in nanotechnology require new approaches to materials synthesis that can produce novel functional structures. Here, we show that nanoscale defects, such as nonstoichiometric nanoregions (NSNRs), can act as nano-building blocks for creating complex electrical polarization structures in the prototypical multiferroic BiFeO_{3}. An array of charged NSNRs are produced in BiFeO_{3} thin films by tuning the substrate temperature during film growth. Atomic-scale scanning transmission electron microscopy imaging reveals exotic polarization rotation patterns around these NSNRs. These polarization patterns resemble hedgehog or vortex topologies and can cause local changes in lattice symmetries leading to mixed-phase structures resembling the morphotropic phase boundary with high piezoelectricity. Phase-field simulations indicate that the observed polarization configurations are mainly induced by charged states at the NSNRs. Engineering defects thus may provide a new route for developing ferroelectric- or multiferroic-based nanodevices.

Molecular density functional theory of water including density-polarization coupling.

PubMed

Jeanmairet, Guillaume; Levy, Nicolas; Levesque, Maximilien; Borgis, Daniel

2016-06-22

We present a three-dimensional molecular density functional theory of water derived from first-principles that relies on the particle's density and multipolar polarization density and includes the density-polarization coupling. This brings two main benefits: (i) scalar density and vectorial multipolar polarization density fields are much more tractable and give more physical insight than the full position and orientation densities, and (ii) it includes the full density-polarization coupling of water, that is known to be non-vanishing but has never been taken into account. Furthermore, the theory requires only the partial charge distribution of a water molecule and three measurable bulk properties, namely the structure factor and the Fourier components of the longitudinal and transverse dielectric susceptibilities.

Independent Controls of Differently-Polarized Reflected Waves by Anisotropic Metasurfaces

PubMed Central

Ma, Hui Feng; Wang, Gui Zhen; Kong, Gu Sheng; Cui, Tie Jun

2015-01-01

We propose a kind of anisotropic planar metasurface, which has capacity to manipulate the orthogonally-polarized electromagnetic waves independently in the reflection mode. The metasurface is composed of orthogonally I-shaped structures and a metal-grounded plane spaced by a dielectric isolator, with the thickness of about 1/15 wavelength. The normally incident linear-polarized waves will be totally reflected by the metal plane, but the reflected phases of x- and y-polarized waves can be controlled independently by the orthogonally I-shaped structures. Based on this principle, we design four functional devices using the anisotropic metasurfaces to realize polarization beam splitting, beam deflection, and linear-to-circular polarization conversion with a deflection angle, respectively. Good performances have been observed from both simulation and measurement results, which show good capacity of the anisotropic metasurfaces to manipulate the x- and y-polarized reflected waves independently. PMID:25873323

Stabilization of Polar Nanoregions in Pb-free Ferroelectrics

DOE PAGES

Pramanick, A.; Dmowski, Wojciech; Egami, Takeshi; ...

2018-05-18

In this study, the formation of polar nanoregions through solid-solution additions is known to enhance significantly the functional properties of ferroelectric materials. Despite considerable progress in characterizing the microscopic behavior of polar nanoregions (PNR), understanding their real-space atomic structure and dynamics of their formation remains a considerable challenge. Here, using the method of dynamic pair distribution function, we provide direct insights into the role of solid-solution additions towards the stabilization of polar nanoregions in the Pb-free ferroelectric of Ba(Zr,Ti)O 3. It is shown that for an optimum level of substitution of Ti by larger Zr ions, the dynamics of atomicmore » displacements for ferroelectric polarization are slowed sufficiently below THz frequencies, which leads to increased local correlation among dipoles within PNRs. The dynamic pair distribution function technique demonstrates a unique capability to obtain insights into locally correlated atomic dynamics in disordered materials, including new Pb-free ferroelectrics, which is necessary to understand and control their functional properties.« less

Stabilization of Polar Nanoregions in Pb-free Ferroelectrics

NASA Astrophysics Data System (ADS)

Pramanick, A.; Dmowski, W.; Egami, T.; Budisuharto, A. Setiadi; Weyland, F.; Novak, N.; Christianson, A. D.; Borreguero, J. M.; Abernathy, D. L.; Jørgensen, M. R. V.

2018-05-01

The formation of polar nanoregions through solid-solution additions is known to enhance significantly the functional properties of ferroelectric materials. Despite considerable progress in characterizing the microscopic behavior of polar nanoregions (PNR), understanding their real-space atomic structure and dynamics of their formation remains a considerable challenge. Here, using the method of dynamic pair distribution function, we provide direct insights into the role of solid-solution additions towards the stabilization of polar nanoregions in the Pb-free ferroelectric of Ba (Zr ,Ti )O3 . It is shown that for an optimum level of substitution of Ti by larger Zr ions, the dynamics of atomic displacements for ferroelectric polarization are slowed sufficiently below THz frequencies, which leads to increased local correlation among dipoles within PNRs. The dynamic pair distribution function technique demonstrates a unique capability to obtain insights into locally correlated atomic dynamics in disordered materials, including new Pb-free ferroelectrics, which is necessary to understand and control their functional properties.

Stabilization of Polar Nanoregions in Pb-free Ferroelectrics

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

Pramanick, A.; Dmowski, Wojciech; Egami, Takeshi

In this study, the formation of polar nanoregions through solid-solution additions is known to enhance significantly the functional properties of ferroelectric materials. Despite considerable progress in characterizing the microscopic behavior of polar nanoregions (PNR), understanding their real-space atomic structure and dynamics of their formation remains a considerable challenge. Here, using the method of dynamic pair distribution function, we provide direct insights into the role of solid-solution additions towards the stabilization of polar nanoregions in the Pb-free ferroelectric of Ba(Zr,Ti)O 3. It is shown that for an optimum level of substitution of Ti by larger Zr ions, the dynamics of atomicmore » displacements for ferroelectric polarization are slowed sufficiently below THz frequencies, which leads to increased local correlation among dipoles within PNRs. The dynamic pair distribution function technique demonstrates a unique capability to obtain insights into locally correlated atomic dynamics in disordered materials, including new Pb-free ferroelectrics, which is necessary to understand and control their functional properties.« less

The disturbing function for polar Centaurs and transneptunian objects

NASA Astrophysics Data System (ADS)

Namouni, F.; Morais, M. H. M.

2017-10-01

The classical disturbing function of the three-body problem is based on an expansion of the gravitational interaction in the vicinity of nearly coplanar orbits. Consequently, it is not suitable for the identification and study of resonances of the Centaurs and transneptunian objects on nearly polar orbits with the Solar system planets. Here, we provide a series expansion algorithm of the gravitational interaction in the vicinity of polar orbits and produce explicitly the disturbing function to fourth order in eccentricity and inclination cosine. The properties of the polar series differ significantly from those of the classical disturbing function: the polar series can model any resonance, as the expansion order is not related to the resonance order. The powers of eccentricity and inclination of the force amplitude of a p:q resonance do not depend on the value of the resonance order |p - q| but only on its parity. Thus, all even resonance order eccentricity amplitudes are ∝e2 and odd ones ∝e to lowest order in eccentricity e. With the new findings on the structure of the polar disturbing function and the possible resonant critical arguments, we illustrate the dynamics of the polar resonances 1:3, 3:1, 2:9 and 7:9 where transneptunian object 471325 could currently be locked.

Giant Ferroelectric Polarization in Ultrathin Ferroelectrics via Boundary-Condition Engineering.

PubMed

Xie, Lin; Li, Linze; Heikes, Colin A; Zhang, Yi; Hong, Zijian; Gao, Peng; Nelson, Christopher T; Xue, Fei; Kioupakis, Emmanouil; Chen, Longqing; Schlom, Darrel G; Wang, Peng; Pan, Xiaoqing

2017-08-01

Tailoring and enhancing the functional properties of materials at reduced dimension is critical for continuous advancement of modern electronic devices. Here, the discovery of local surface induced giant spontaneous polarization in ultrathin BiFeO 3 ferroelectric films is reported. Using aberration-corrected scanning transmission electron microscopy, it is found that the spontaneous polarization in a 2 nm-thick ultrathin BiFeO 3 film is abnormally increased up to ≈90-100 µC cm -2 in the out-of-plane direction and a peculiar rumpled nanodomain structure with very large variation in c/a ratios, which is analogous to morphotropic phase boundaries (MPBs), is formed. By a combination of density functional theory and phase-field calculations, it is shown that it is the unique single atomic Bi 2 O 3 - x layer at the surface that leads to the enhanced polarization and appearance of the MPB-like nanodomain structure. This finding clearly demonstrates a novel route to the enhanced functional properties in the material system with reduced dimension via engineering the surface boundary conditions. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ferroelectricity in d0 double perovskite fluoroscandates

NASA Astrophysics Data System (ADS)

Charles, Nenian; Rondinelli, James M.

2015-08-01

Ferroelectricity in strain-free and strained double perovskite fluorides, Na3ScF6 and K2NaScF6 , is investigated using first-principles density functional theory. Although the experimental room temperature crystal structures of these fluoroscandates are centrosymmetric, i.e., Na3ScF6 (P 21/n ) and K2NaScF6 (F m 3 ¯m ), lattice dynamical calculations reveal that soft polar instabilities exist in each prototypical cubic phase and that the modes harden as the tolerance factor approaches unity. Thus the double fluoroperovskites bear some similarities to A B O3 perovskite oxides; however, in contrast, these fluorides exhibit large acentric displacements of alkali metal cations (Na, K) rather than polar displacements of the transition metal cations. Biaxial strain investigations of the centrosymmetric and polar Na3ScF6 and K2NaScF6 phases reveal that the paraelectric structures are favored under compressive strain, whereas polar structures with in-plane electric polarizations (˜5 -18 μ C cm-2 ) are realized at sufficiently large tensile strains. The electric polarization and stability of the polar structures for both chemistries are found to be further enhanced and stabilized by a coexisting single octahedral tilt system. Our results suggest that polar double perovskite fluorides may be realized by suppression of octahedral rotations about more than one Cartesian axis; structures exhibiting in- or out-of-phase octahedral rotations about the c axis are more susceptible to polar symmetries.

Functional fixedness and functional reduction as common sense reasonings in chemical equilibrium and in geometry and polarity of molecules

NASA Astrophysics Data System (ADS)

Furió, C.; Calatayud, M. L.; Bárcenas, S. L.; Padilla, O. M.

2000-09-01

Many of the learning difficulties in the specific domain of chemistry are found not only in the ideas already possessed by students but in the strategic and procedural knowledge that is characteristic of everyday thinking. These defects in procedural knowledge have been described as functional fixedness and functional reduction. This article assesses the procedural difficulties of students (grade 12 and first and third year of university) based on common sense reasoning in two areas of chemistry: chemical equilibrium and geometry and polarity of molecules. In the first area, the theme of external factors affecting equilibria (temperature and concentration change) was selected because the explanations given by the students could be analyzed easily. The existence of a functional fixedness where Le Chatelier's principle was almost exclusively applied by rote could be observed, with this being the cause of the incorrect responses given to the proposed items. Functional fixedness of the Lewis structure also led to an incorrect prediction of molecular geometry. When molecular geometry was correctly determined by the students, it seemed that other methodological or procedural difficulties appeared when the task was to determine molecular polarity. The students showed a tendency, in many cases, to reduce the factors affecting molecular polarity in two possible ways: (a) assuming that polarity depends only on shape (geometric functional reduction) or (b) assuming that molecular polarity depends only on the polarity of bonds (bonding functional reduction).

Determination of the proton spin structure functions for 0.05

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Transmission of linearly polarized light in seawater: implications for polarization signaling.

PubMed

Shashar, Nadav; Sabbah, Shai; Cronin, Thomas W

2004-09-01

Partially linearly polarized light is abundant in the oceans. The natural light field is partially polarized throughout the photic range, and some objects and animals produce a polarization pattern of their own. Many polarization-sensitive marine animals take advantage of the polarization information, using it for tasks ranging from navigation and finding food to communication. In such tasks, the distance to which the polarization information propagates is of great importance. Using newly designed polarization sensors, we measured the changes in linear polarization underwater as a function of distance from a standard target. In the relatively clear waters surrounding coral reefs, partial (%) polarization decreased exponentially as a function of distance from the target, resulting in a 50% reduction of partial polarization at a distance of 1.25-3 m, depending on water quality. Based on these measurements, we predict that polarization sensitivity will be most useful for short-range (in the order of meters) visual tasks in water and less so for detecting objects, signals, or structures from far away. Navigation and body orientation based on the celestial polarization pattern are predicted to be limited to shallow waters as well, while navigation based on the solar position is possible through a deeper range.

On the inscription of period and half-period surface relief gratings in azobenzene-functionalized polymers.

PubMed

Sobolewska, Anna; Miniewicz, Andrzej

2008-04-17

Laser-light-induced surface relief grating inscription was carried out in the newly synthesized azobenzene-functionalized poly(amide-imide)s having the same main- and side-chain structures but different substituents in the azobenzene groups. The gratings were inscribed employing the two-wave mixing technique with linearly polarized laser beams. Three different polarization configurations were used: s-s, p-p, and s-p. The relatively deep surface relief gratings of period Lambda were formed for the case of s-s and p-p polarizations, whereas the s-p inscription resulted in the half-period grating (Lambda/2) with the weak surface modulation. The origin of the formation of Lambda/2 structure for s-p configuration results from the interference between zeroth- and first-order beams scattered on the polarization refractive index grating and having the same polarization. On the basis of this idea, we presented the simple kinetic model predicting and modeling the half-period grating formation with its temporal evolution. The proposed model is consistent with the experimental findings.

Local Crystal Structure of Antiferroelectric Bi2Mn4/3Ni2/3O6 in Commensurate and Incommensurate Phases Described by Pair Distribution Function (PDF) and Reverse Monte Carlo (RMC) Modeling.

PubMed

Szczecinski, Robert J; Chong, Samantha Y; Chater, Philip A; Hughes, Helen; Tucker, Matthew G; Claridge, John B; Rosseinsky, Matthew J

2014-04-08

The functional properties of materials can arise from local structural features that are not well determined or described by crystallographic methods based on long-range average structural models. The room temperature (RT) structure of the Bi perovskite Bi 2 Mn 4/3 Ni 2/3 O 6 has previously been modeled as a locally polar structure where polarization is suppressed by a long-range incommensurate antiferroelectric modulation. In this study we investigate the short-range local structure of Bi 2 Mn 4/3 Ni 2/3 O 6 , determined through reverse Monte Carlo (RMC) modeling of neutron total scattering data, and compare the results with the long-range incommensurate structure description. While the incommensurate structure has equivalent B site environments for Mn and Ni, the local structure displays a significantly Jahn-Teller distorted environment for Mn 3+ . The local structure displays the rock-salt-type Mn/Ni ordering of the related Bi 2 MnNiO 6 high pressure phase, as opposed to Mn/Ni clustering observed in the long-range average incommensurate model. RMC modeling reveals short-range ferroelectric correlations between Bi 3+ cations, giving rise to polar regions that are quantified for the first time as existing within a distance of approximately 12 Å. These local correlations persist in the commensurate high temperature (HT) phase, where the long-range average structure is nonpolar. The local structure thus provides information about cation ordering and B site structural flexibility that may stabilize Bi 3+ on the A site of the perovskite structure and reveals the extent of the local polar regions created by this cation.

First-principles study of crystal structure, elastic stiffness constants, piezoelectric constants, and spontaneous polarization of orthorhombic Pna21-M2O3 (M = Al, Ga, In, Sc, Y)

NASA Astrophysics Data System (ADS)

Shimada, Kazuhiro

2018-03-01

We perform first-principles calculations to investigate the crystal structure, elastic and piezoelectric properties, and spontaneous polarization of orthorhombic M2O3 (M = Al, Ga, In, Sc, Y) with Pna21 space group based on density functional theory. The lattice parameters, full elastic stiffness constants, piezoelectric stress and strain constants, and spontaneous polarization are successfully predicted. Comparison with available experimental and computational results indicates the validity of our computational results. Detailed analysis of the results clarifies the difference in the bonding character and the origin of the strong piezoelectric response and large spontaneous polarization.

Vorticity and Λ polarization in baryon rich matter

NASA Astrophysics Data System (ADS)

Baznat, Mircea; Gudima, Konstantin; Prokhorov, George; Sorin, Alexander; Teryaev, Oleg; Zakharov, Valentin

2018-02-01

The polarization of Λ hyperons due to axial chiral vortical effect is discussed. The effect is proportional to (strange) chemical potential and is pronounced at lower energies in baryon-rich matter. The polarization of ¯ has the same sihn and larger magnitude. The emergence of vortical structures is observed in kinetic QGSM models. The hydrodynamical helicity separation receives the contribution of longitudinal velocity and vorticity implying the quadrupole structure of the latter. The transition from the quark vortical effects to baryons in confined phase may be achieved by exploring the axial charge. At the hadronic level the polarization corresponds to the cores of quantized vortices in pionic superfluid. The chiral vortical effects may be also studied in the frmework of Wigner function establishing the relation to the thermodynamical approach to polarization.

Polarization in heavy-ion collisions: magnetic field and vorticity

NASA Astrophysics Data System (ADS)

Baznat, M.; Gudima, K.; Prokhorov, G.; Sorin, A.; Teryaev, O.; Zakharov, V.

2017-12-01

The polarization of hyperons due to axial chiral vortical effect is discussed. The effect is proportional to (strange) chemical potential and is pronounced at lower energies, contrary to that of magnetic field. The polarization of antihyperons has the same sign and larger magnitude. The emergence of vortical structures is observed in kinetic QGSM models. The hydrodynamical helicity separation receives the contribution of longitudinal velocity and vorticity implying the quadrupole structure of the latter. The transition from the quark vortical effects to baryons in confined phase may be achieved by exploring the axial charge. At the hadronic level the polarization corresponds to the cores of quantized vortices in pionic superfluid. The chiral vortical effects may be also studied in the frmework of Wigner function establishing the relation to the thermodynamical approach to polarization.

Synthesis of a polar ordered oxynitride perovskite

NASA Astrophysics Data System (ADS)

Vadapoo, Rajasekarakumar; Ahart, Muhtar; Somayazulu, Maddury; Holtgrewe, Nicholas; Meng, Yue; Konopkova, Zuzana; Hemley, Russell J.; Cohen, R. E.

2017-06-01

For decades, numerous attempts have been made to produce polar oxynitride perovskites, where some of the oxygen is replaced by nitrogen, but a polar ordered oxynitride has never been demonstrated. Caracas and Cohen [Appl. Phys. Lett. 91, 092902 (2007), 10.1063/1.2776370] studied possible ordered polar oxynitrides within density-functional theory (DFT) and found a few candidates that were predicted to be insulating and at least metastable. YSi O2N stood out with huge predicted polarization and nonlinear optic coefficients. In this study, we demonstrate the synthesis of perovskite-structured YSi O2N by using a combination of a diamond-anvil cell and in situ laser-heating techniques. Subsequent in situ x-ray diffraction, second-harmonic generation, and Raman-scattering measurements confirm that it is polar and a strong nonlinear optical material, with structure and properties similar to those predicted by DFT.

Synthesis of a polar ordered oxynitride perovskite

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

Vadapoo, Rajasekarakumar; Ahart, Muhtar; Somayazulu, Maddury

For decades, numerous attempts have been made to produce polar oxynitride perovskites, where some of the oxygen is replaced by nitrogen, but a polar ordered oxynitride has never been demonstrated. Caracas and Cohen [Appl. Phys. Lett. 91, 092902 (2007)] studied possible ordered polar oxynitrides within density-functional theory (DFT) and found a few candidates that were predicted to be insulating and at least metastable. YSi O 2 N stood out with huge predicted polarization and nonlinear optic coefficients. In this study, we demonstrate the synthesis of perovskite-structured YSi O 2 N by using a combination of a diamond-anvil cell and inmore » situ laser-heating techniques. Subsequent in situ x-ray diffraction, second-harmonic generation, and Raman-scattering measurements confirm that it is polar and a strong nonlinear optical material, with structure and properties similar to those predicted by DFT.« less

Electrical spin injection from an n-type ferromagnetic semiconductor into a III-V device heterostructure

NASA Astrophysics Data System (ADS)

Kioseoglou, George; Hanbicki, Aubrey T.; Sullivan, James M.; van't Erve, Olaf M. J.; Li, Connie H.; Erwin, Steven C.; Mallory, Robert; Yasar, Mesut; Petrou, Athos; Jonker, Berend T.

2004-11-01

The use of carrier spin in semiconductors is a promising route towards new device functionality and performance. Ferromagnetic semiconductors (FMSs) are promising materials in this effort. An n-type FMS that can be epitaxially grown on a common device substrate is especially attractive. Here, we report electrical injection of spin-polarized electrons from an n-type FMS, CdCr2Se4, into an AlGaAs/GaAs-based light-emitting diode structure. An analysis of the electroluminescence polarization based on quantum selection rules provides a direct measure of the sign and magnitude of the injected electron spin polarization. The sign reflects minority rather than majority spin injection, consistent with our density-functional-theory calculations of the CdCr2Se4 conduction-band edge. This approach confirms the exchange-split band structure and spin-polarized carrier population of an FMS, and demonstrates a litmus test for these FMS hallmarks that discriminates against spurious contributions from magnetic precipitates.

Mean dyadic Green's function for a two layer random medium

NASA Technical Reports Server (NTRS)

Zuniga, M. A.

1981-01-01

The mean dyadic Green's function for a two-layer random medium with arbitrary three-dimensional correlation functions has been obtained with the zeroth-order solution to the Dyson equation by applying the nonlinear approximation. The propagation of the coherent wave in the random medium is similar to that in an anisotropic medium with different propagation constants for the characteristic transverse electric and transverse magnetic polarizations. In the limit of a laminar structure, two propagation constants for each polarization are found to exist.

On the gravitational field of static and stationary axial symmetric bodies with multi-polar structure

NASA Astrophysics Data System (ADS)

Letelier, Patricio S.

1999-04-01

We give a physical interpretation to the multi-polar Erez-Rozen-Quevedo solution of the Einstein equations in terms of bars. We find that each multi-pole corresponds to the Newtonian potential of a bar with linear density proportional to a Legendre polynomial. We use this fact to find an integral representation of the 0264-9381/16/4/010/img1 function. These integral representations are used in the context of the inverse scattering method to find solutions associated with one or more rotating bodies each with their own multi-polar structure.

Axon Initial Segment Cytoskeleton: Architecture, Development, and Role in Neuron Polarity

PubMed Central

Svitkina, Tatyana M.

2016-01-01

The axon initial segment (AIS) is a specialized structure in neurons that resides in between axonal and somatodendritic domains. The localization of the AIS in neurons is ideal for its two major functions: it serves as the site of action potential firing and helps to maintain neuron polarity. It has become increasingly clear that the AIS cytoskeleton is fundamental to AIS functions. In this review, we discuss current understanding of the AIS cytoskeleton with particular interest in its unique architecture and role in maintenance of neuron polarity. The AIS cytoskeleton is divided into two parts, submembrane and cytoplasmic, based on localization, function, and molecular composition. Recent studies using electron and subdiffraction fluorescence microscopy indicate that submembrane cytoskeletal components (ankyrin G, βIV-spectrin, and actin filaments) form a sophisticated network in the AIS that is conceptually similar to the polygonal/triangular network of erythrocytes, with some important differences. Components of the AIS cytoplasmic cytoskeleton (microtubules, actin filaments, and neurofilaments) reside deeper within the AIS shaft and display structural features distinct from other neuronal domains. We discuss how the AIS submembrane and cytoplasmic cytoskeletons contribute to different aspects of AIS polarity function and highlight recent advances in understanding their AIS cytoskeletal assembly and stability. PMID:27493806

Surface plasmon resonance and polarization change properties in centrosymmetric nanoright-triangle dimer arrays

NASA Astrophysics Data System (ADS)

Ma, Qilin; Liu, Guangqiang; Chen, Yiqing; Zhao, Qian; Guo, Jing; Yang, Shaosong; Cai, Weiping

2018-03-01

Dimer nanoparticles in a sandwich structure exhibit a large electric-field intensity enhancement. The dispersion relation between the surface plasmon resonance (SPR) and particle size has not been reported yet, owing to the effects of the particle size, shape, materials, etc. A sandwich structure, which contains a nano-right-triangle dimer array, SiO2 spacer, and Au film, is proposed, with a significant electric-field intensity enhancement and polarization-changing properties. The dependence of the peak positions of the two localized surface plasmon resonance (LSPR) modes as a function of the triangle thicknesses is discussed; different trends are observed for the different LSPR modes. We introduce a concept on the rule for LSPR peak position change, which can contribute to a better understanding of the LSPR modes. In addition, centrosymmetric but not axisymmetric structures, which like in our study exhibit surface plasmon polaritons typically show different responses to a different polarization of the incident light. Here, we showed that our centrosymmetric but not axisymmetric structure can change the linearly polarized light into a circularly or elliptically polarized wave, by surface plasmon-induced polarization properties. Far-field distribution maps are used to study the properties of the surface plasmons-induced circular or elliptic polarization wave. These findings could be employed to better understand the surface plasmon-induced polarization properties showed in previous reports and near-field of surface plasmons. These findings could be employed to better understand the near-field of surface plasmons and polarization properties.

Polarization sensitivity of ordered and random antireflective surface structures in silica and spinel

NASA Astrophysics Data System (ADS)

Frantz, J. A.; Selby, J.; Busse, L. E.; Shaw, L. B.; Aggarwal, I. D.; Sanghera, J. S.

2018-02-01

Both ordered and random anti-reflective surface structures (ARSS) have been shown to increase the transmission of an optical surface to >99.9%. These structures are of great interest as an alternative to traditional thin film anti-reflection (AR) coatings for a variety of reasons. Unlike traditional AR coatings, they are patterned directly into the surface of an optic rather than deposited on its surface and are thus not prone to the delamination under thermal cycling that can occur with thin film coatings. Their laser-induced damage thresholds can also be considerably higher. In addition, they provide AR performance over a larger spectral and angular range. It has been previously demonstrated that random ARSSs in silica are remarkably insensitive to incident polarization, with nearly zero variation in transmittance with respect to polarization of the incident beam at fixed wavelength for angles of incidence up to at least 30°. In this work, we evaluate polarization sensitivity of ARSS as a function of wavelength for both random and ordered ARSS. We demonstrate that ordered ARSS is significantly more sensitive to polarization than random ARSS and explain the reason for this difference. In the case of ordered ARSS, we observe significant differences as a function of wavelength, with the transmittance of s- and p-polarized light diverging near the diffraction edge. We present results for both silica and spinel samples and discuss differences observed for these two sets of samples.

Pathogenesis of Human Enterovirulent Bacteria: Lessons from Cultured, Fully Differentiated Human Colon Cancer Cell Lines

PubMed Central

Liévin-Le Moal, Vanessa

2013-01-01

SUMMARY Hosts are protected from attack by potentially harmful enteric microorganisms, viruses, and parasites by the polarized fully differentiated epithelial cells that make up the epithelium, providing a physical and functional barrier. Enterovirulent bacteria interact with the epithelial polarized cells lining the intestinal barrier, and some invade the cells. A better understanding of the cross talk between enterovirulent bacteria and the polarized intestinal cells has resulted in the identification of essential enterovirulent bacterial structures and virulence gene products playing pivotal roles in pathogenesis. Cultured animal cell lines and cultured human nonintestinal, undifferentiated epithelial cells have been extensively used for understanding the mechanisms by which some human enterovirulent bacteria induce intestinal disorders. Human colon carcinoma cell lines which are able to express in culture the functional and structural characteristics of mature enterocytes and goblet cells have been established, mimicking structurally and functionally an intestinal epithelial barrier. Moreover, Caco-2-derived M-like cells have been established, mimicking the bacterial capture property of M cells of Peyer's patches. This review intends to analyze the cellular and molecular mechanisms of pathogenesis of human enterovirulent bacteria observed in infected cultured human colon carcinoma enterocyte-like HT-29 subpopulations, enterocyte-like Caco-2 and clone cells, the colonic T84 cell line, HT-29 mucus-secreting cell subpopulations, and Caco-2-derived M-like cells, including cell association, cell entry, intracellular lifestyle, structural lesions at the brush border, functional lesions in enterocytes and goblet cells, functional and structural lesions at the junctional domain, and host cellular defense responses. PMID:24006470

The intriguing nature of dorsal root ganglion neurons: linking structure with polarity and function.

PubMed

Nascimento, Ana Isabel; Mar, Fernando Milhazes; Sousa, Mónica Mendes

2018-05-02

Dorsal root ganglion (DRG) neurons are the first neurons of the sensory pathway. They are activated by a variety of sensory stimuli that are then transmitted to the central nervous system. An important feature of DRG neurons is their unique morphology where a single process -the stem axon- bifurcates into a peripheral and a central axonal branch, with different functions and cellular properties. Distinctive structural aspects of the two DRG neuron branches may have important implications for their function in health and disease. However, the link between DRG axonal branch structure, polarity and function has been largely neglected in the field, and relevant information is rather scattered across the literature. In particular, ultrastructural differences between the two axonal branches are likely to account for the higher transport and regenerative ability of the peripheral DRG neuron axon when compared to the central one. Nevertheless, the cell intrinsic factors contributing to this central-peripheral asymmetry are still unknown. Here we critically review the factors that may underlie the functional asymmetry between the peripheral and central DRG axonal branches. Also, we discuss the hypothesis that DRG neurons may assemble a structure resembling the axon initial segment that may be responsible, at least in part, for their polarity and electrophysiological features. Ultimately, we suggest that the clarification of the axonal ultrastructure of DRG neurons using state-of-the-art techniques will be crucial to understand the physiology of this peculiar cell type. Copyright © 2018. Published by Elsevier Ltd.

Local structural behavior of PbZr0.5Ti0.5O3 during electric field application via in situ pair distribution function study

NASA Astrophysics Data System (ADS)

Zhao, Changhao; Hou, Dong; Chung, Ching-Chang; Yu, Yingying; Liu, Wenfeng; Li, Shengtao; Jones, Jacob L.

2017-11-01

The local structural behavior of PbZr0.5Ti0.5O3 (PZT 50/50) ceramics during application of an electric field was investigated using pair distribution function (PDF) analysis. In situ synchrotron total scattering was conducted, and the PDFs were calculated from the Fourier transform of the total scattering data. The PDF refinement of the zero-field data suggests a local-structure model with [001] Ti-displacement and negligible Zr-displacement. The directional PDFs at different field amplitudes indicate the bond-length distribution of the nearest Pb-B (B = Zr/Ti) pair changes significantly with the field. The radial distribution functions (RDFs) of a model for polarization rotation were calculated. The calculated and the experimental RDFs are consistent. This result suggests the changes in Pb-B bond-length distribution could be dominantly caused by polarization rotation. Peak fitting of the experimental RDFs was also conducted. The peak position trends with increasing field are mostly in agreement with the calculation result of the polarization rotation model. The area ratio of the peaks in the experimental RDFs also changed with field amplitude, indicating that Zr atoms have a detectable displacement driven by the electric field. Our study provides an experimental observation of the behaviors of PZT 50/50 under field at a local scale which supports the polarization rotation mechanism.

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

DOE PAGES

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

2017-12-27

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

Polarization phenomena in quantum chromodynamics

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

Brodsky, S.J.

1994-12-01

The author discusses a number of interrelated hadronic spin effects which test fundamental features of perturbative and nonperturbative QCD. For example, the anomalous magnetic moment of the proton and the axial coupling g{sub A} on the nucleon are shown to be related to each other for fixed proton radius, independent of the form of the underlying three-quark relativistic quark wavefunction. The renormalization scale and scheme ambiguities for the radiative corrections to the Bjorken sum rule for the polarized structure functions can be eliminated by using commensurate scale relations with other observables. Other examples include (a) new constraints on the shapemore » and normalization of the polarized quark and gluon structure functions of the proton at large and small x{sub bj}; (b) consequences of the principle of hadron retention in high x{sub F} inclusive reactions; (c) applications of hadron helicity conservation to high momentum transfer exclusive reactions; and (d) the dependence of nuclear structure functions and shadowing on virtual photon polarization. The author also discusses the implications of a number of measurements which are in striking conflict with leading-twist perturbative QCD predictions, such as the extraordinarily large spin correlation A{sub NN} observed in large angle proton-proton scattering, the anomalously large {rho}{pi} branching ratio of the J/{psi}, and the rapidly changing polarization dependence of both J/{psi} and continuum lepton pair hadroproduction observed at large x{sub F}. The azimuthal angular dependence of the Drell-Yan process is shown to be highly sensitive to the projectile distribution amplitude, the fundamental valence light-cone wavefunction of the hadron.« less

Proton-Proton Elastic Scattering Excitation Functions at Intermediate Energies: Cross Sections and Analyzing Powers

NASA Astrophysics Data System (ADS)

Hinterberger, F.; Rohdjeß, H.; Altmeier, M.; Bauer, F.; Bisplinghoff, J.; Büßer, K.; Busch, M.; Colberg, T.; Diehl, O.; Dohrmann, F.; Engelhardt, H. P.; Eversheim, P. D.; Felden, O.; Gebel, R.; Glende, M.; Greiff, J.; Groß-Hardt, R.; Hinterberger, F.; Jahn, R.; Jonas, E.; Krause, H.; Langkau, R.; Lindemann, T.; Lindlein, J.; Maier, R.; Maschuw, R.; Mayer-Kuckuk, T.; Meinerzhagen, A.; Nähle, O.; Prasuhn, D.; Rohdjeß, H.; Rosendaal, D.; von Rossen, P.; Schirm, N.; Schulz-Rojahn, M.; Schwarz, V.; Scobel, W.; Trelle, H. J.; Weise, E.; Wellinghausen, A.; Woller, K.; Ziegler, R.

2000-01-01

The EDDA experiment at the cooler synchrotron COSY measures proton-proton elastic scattering excitation functions in the momentum range 0.8 - 3.4 GeV/c. In phase 1 of the experiment, spin-averaged differential cross sections were measured continuously during acceleration with an internal polypropylene (CH2) fiber target, taking particular care to monitor luminosity as a function of beam momentum. In phase 2, excitation functions of the analyzing power AN and the polarization correlation parameters ANN, ASS and ASL are measured using a polarized proton beam and a polarized atomic hydrogen beam target. The paper presents recent dσ/dΩ and AN data. The results provide excitation functions and angular distributions of high precision and internal consistency. No evidence for narrow structures was found. The data are compared to recent phase shift solutions.

Dual functional star polymers for lubricants

DOE PAGES

Cosimbescu, Lelia; Robinson, Joshua W.; Zhou, Yan; ...

2016-09-12

Star-shaped poly(alkyl methacrylate)s (PAMAs) with a three arm architecturewere designed, prepared and their performance as a dual additive (viscosity index improver and friction modifier) for engine oils was evaluated. Furthermore, the structure property relationships between the macromolecular structure and lubricant performance were studied, such as molecular weight and polarity effects on the viscosity index. Several copolymers of dodecylmethacrylate with polar methacrylates in various amounts and various topologies, were synthesized as model compounds. Star polymers with a polar content of at least 10% in a block or tapered block topology effectively reduced the friction coefficient in both mixed and boundary lubricationmore » regimes. Furthermore, a polar content of 20% was efficient in reducing friction in both random and block topologies.« less

Theoretical and experimental studies of polarization fluctuations over atmospheric turbulent channels for wireless optical communication systems.

PubMed

Zhang, Jiankun; Ding, Shengli; Zhai, Huili; Dang, Anhong

2014-12-29

In wireless optical communications (WOC), polarization multiplexing systems and coherent polarization systems have excellent performance and wide applications, while its state of polarization affected by atmospheric turbulence is not clearly understood. This paper focuses on the polarization fluctuations caused by atmospheric turbulence in a WOC link. Firstly, the relationship between the polarization fluctuations and the index of refraction structure parameter is introduced and the distribution of received polarization angle is obtained through theoretical derivations. Then, turbulent conditions are adjusted and measured elaborately in a wide range of scintillation indexes (SI). As a result, the root-mean-square (RMS) variation and probability distribution function (PDF) of polarization angle conforms closely to that of theoretical model.

Silicon photonic transceiver circuit for high-speed polarization-based discrete variable quantum key distribution

DOE PAGES

Cai, Hong; Long, Christopher M.; DeRose, Christopher T.; ...

2017-01-01

We demonstrate a silicon photonic transceiver circuit for high-speed discrete variable quantum key distribution that employs a common structure for transmit and receive functions. The device is intended for use in polarization-based quantum cryptographic protocols, such as BB84. Our characterization indicates that the circuit can generate the four BB84 states (TE/TM/45°/135° linear polarizations) with >30 dB polarization extinction ratios and gigabit per second modulation speed, and is capable of decoding any polarization bases differing by 90° with high extinction ratios.

Silicon photonic transceiver circuit for high-speed polarization-based discrete variable quantum key distribution.

PubMed

Cai, Hong; Long, Christopher M; DeRose, Christopher T; Boynton, Nicholas; Urayama, Junji; Camacho, Ryan; Pomerene, Andrew; Starbuck, Andrew L; Trotter, Douglas C; Davids, Paul S; Lentine, Anthony L

2017-05-29

We demonstrate a silicon photonic transceiver circuit for high-speed discrete variable quantum key distribution that employs a common structure for transmit and receive functions. The device is intended for use in polarization-based quantum cryptographic protocols, such as BB84. Our characterization indicates that the circuit can generate the four BB84 states (TE/TM/45°/135° linear polarizations) with >30 dB polarization extinction ratios and gigabit per second modulation speed, and is capable of decoding any polarization bases differing by 90° with high extinction ratios.

Silicon photonic transceiver circuit for high-speed polarization-based discrete variable quantum key distribution

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

Cai, Hong; Long, Christopher M.; DeRose, Christopher T.

We demonstrate a silicon photonic transceiver circuit for high-speed discrete variable quantum key distribution that employs a common structure for transmit and receive functions. The device is intended for use in polarization-based quantum cryptographic protocols, such as BB84. Our characterization indicates that the circuit can generate the four BB84 states (TE/TM/45°/135° linear polarizations) with >30 dB polarization extinction ratios and gigabit per second modulation speed, and is capable of decoding any polarization bases differing by 90° with high extinction ratios.

Spiraling Light with Magnetic Metamaterial Quarter-Wave Turbines.

PubMed

Zeng, Jinwei; Luk, Ting S; Gao, Jie; Yang, Xiaodong

2017-09-19

Miniaturized quarter-wave plate devices empower spin to orbital angular momentum conversion and vector polarization formation, which serve as bridges connecting conventional optical beam and structured light. Enabling the manipulability of additional dimensions as the complex polarization and phase of light, quarter-wave plate devices are essential for exploring a plethora of applications based on orbital angular momentum or vector polarization, such as optical sensing, holography, and communication. Here we propose and demonstrate the magnetic metamaterial quarter-wave turbines at visible wavelength to produce radially and azimuthally polarized vector vortices from circularly polarized incident beam. The magnetic metamaterials function excellently as quarter-wave plates at single wavelength and maintain the quarter-wave phase retardation in broadband, while the turbine blades consist of multiple polar sections, each of which contains homogeneously oriented magnetic metamaterial gratings near azimuthal or radial directions to effectively convert circular polarization to linear polarization and induce phase shift under Pancharatnum-Berry's phase principle. The perspective concept of multiple polar sections of magnetic metamaterials can extend to other analogous designs in the strongly coupled nanostructures to accomplish many types of light phase-polarization manipulation and structured light conversion in the desired manner.

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

Yokosawa, A.

The first polarized collider where we collide 250-GeV/c beams of 70% polarized protons at high luminosity is under construction. This will allow a determination of the nucleon spin-dependent structure functions over a large range in x and a collection of sufficient W and Z events to investigate extremely interesting spin-related phenomena.

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

Yokosawa, A.

The first polarized collider where one collides 250-GeV/c beams of 70% polarized protons at high luminosity is under construction. This will allow a determination of the nucleon spin-dependent structure functions over a large range in x and a collection of sufficient W and Z events to investigate extremely interesting spin-related phenomena.

Manipulating the polar mismatch at the LaNi O 3 / SrTi O 3 (111) interface

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

Saghayezhian, M.; Wang, Zhen; Guo, Hangwen

2017-04-20

Heteroepitaxial growth of transition-metal oxide films on the open (111) surface of SrTi O 3 results in significant restructuring due to the polar mismatch. Monitoring the structure and composition on an atomic scale of LaNi O 3 / SrTi O 3 (111) interface as a function of processing conditions has enabled the avoidance of the expected polar catastrophe. Using atomically resolved transmission electron microscopy and spectroscopy as well as low-energy electron diffraction, the structure of the thin film, from interface to the surface, has been studied. Here, we show that the proper processing can lead to a structure that ismore » ordered, coherent with the substrate without intermediate structural phase. Using angle-resolved x-ray photoemission spectroscopy we show that the oxygen content of thin films increases with the film thickness, which indicates that the polar mismatch is avoided by the presence of oxygen vacancies.« less

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

Yokosawa, A.

The first polarized collider, where we collide 250 GeV/c beams of 70% polarized protons at high luminosity, is under construction. This will allow a determination of the nuclear spin-dependent structure functions over a large range in x, and a collection of sufficient W and Z events to investigate extremely interesting spin-related phenomena. For these measurements, two major RHIC detectors will be used simultaneously whose functions are complimentary. Expected event rates given in this paper are for the STAR detector.

Probing membrane protein structure using water polarization transfer solid-state NMR.

PubMed

Williams, Jonathan K; Hong, Mei

2014-10-01

Water plays an essential role in the structure and function of proteins, lipid membranes and other biological macromolecules. Solid-state NMR heteronuclear-detected (1)H polarization transfer from water to biomolecules is a versatile approach for studying water-protein, water-membrane, and water-carbohydrate interactions in biology. We review radiofrequency pulse sequences for measuring water polarization transfer to biomolecules, the mechanisms of polarization transfer, and the application of this method to various biological systems. Three polarization transfer mechanisms, chemical exchange, spin diffusion and NOE, manifest themselves at different temperatures, magic-angle-spinning frequencies, and pulse irradiations. Chemical exchange is ubiquitous in all systems examined so far, and spin diffusion plays the key role in polarization transfer within the macromolecule. Tightly bound water molecules with long residence times are rare in proteins at ambient temperature. The water polarization-transfer technique has been used to study the hydration of microcrystalline proteins, lipid membranes, and plant cell wall polysaccharides, and to derive atomic-resolution details of the kinetics and mechanism of ion conduction in channels and pumps. Using this approach, we have measured the water polarization transfer to the transmembrane domain of the influenza M2 protein to obtain information on the structure of this tetrameric proton channel. At short mixing times, the polarization transfer rates are site-specific and depend on the pH, labile protons, sidechain conformation, as well as the radial position of the residues in this four-helix bundle. Despite the multiple dependences, the initial transfer rates reflect the periodic nature of the residue positions from the water-filled pore, thus this technique provides a way of gleaning secondary structure information, helix tilt angle, and the oligomeric structure of membrane proteins. Copyright © 2014 Elsevier Inc. All rights reserved.

Structure and energy of non-canonical basepairs: comparison of various computational chemistry methods with crystallographic ensembles.

PubMed

Panigrahi, Swati; Pal, Rahul; Bhattacharyya, Dhananjay

2011-12-01

Different types of non-canonical basepairs, in addition to the Watson-Crick ones, are observed quite frequently in RNA. Their importance in the three dimensional structure is not fully understood, but their various roles have been proposed by different groups. We have analyzed the energetics and geometry of 32 most frequently observed basepairs in the functional RNA crystal structures using different popular empirical, semi-empirical and ab initio quantum chemical methods and compared their optimized geometry with the crystal data. These basepairs are classified into three categories: polar, non-polar and sugar-mediated, depending on the types of atoms involved in hydrogen bonding. In case of polar basepairs, most of the methods give rise to optimized structures close to their initial geometry. The interaction energies also follow similar trends, with the polar ones having more attractive interaction energies. Some of the C-H...O/N hydrogen bond mediated non-polar basepairs are also found to be significantly stable in terms of their interaction energy values. Few polar basepairs, having amino or carboxyl groups not hydrogen bonded to anything, such as G:G H:W C, show large flexibility. Most of the non-polar basepairs, except A:G s:s T and A:G w:s C, are found to be stable; indicating C-H...O/N interaction also plays a prominent role in stabilizing the basepairs. The sugar mediated basepairs show variability in their structures, due to the involvement of flexible ribose sugar. These presumably indicate that the most of the polar basepairs along with few non-polar ones act as seed for RNA folding while few may act as some conformational switch in the RNA.

Propagation of radially polarized multi-cosine Gaussian Schell-model beams in non-Kolmogorov turbulence

NASA Astrophysics Data System (ADS)

Tang, Miaomiao; Zhao, Daomu; Li, Xinzhong; Wang, Jingge

2018-01-01

Recently, we introduced a new class of radially polarized beams with multi-cosine Gaussian Schell-model(MCGSM) correlation function based on the partially coherent theory (Tang et al., 2017). In this manuscript, we extend the work to study the statistical properties such as the spectral density, the degree of coherence, the degree of polarization, and the state of polarization of the beam propagating in isotropic turbulence with a non-Kolmogorov power spectrum. Analytical formulas for the cross-spectral density matrix elements of a radially polarized MCGSM beam in non-Kolmogorov turbulence are derived. Numerical results show that lattice-like intensity pattern of the beam, which keeps propagation-invariant in free space, is destroyed by the turbulence when it passes at sufficiently large distances from the source. It is also shown that the polarization properties are mainly affected by the source correlation functions, and change in the turbulent statistics plays a relatively small effect. In addition, the polarization state exhibits self-splitting property and each beamlet evolves into radially polarized structure upon propagation.

Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function

NASA Astrophysics Data System (ADS)

Weisman, Andrew L.

Electronic structure calculation is an essential approach for determining the structure and function of molecules and is therefore of critical interest to physics, chemistry, and materials science. Of the various algorithms for calculating electronic structure, the pseudospectral method is among the fastest. However, the trade-off for its speed is more up-front programming and testing, and as a result, applications using the pseudospectral method currently lag behind those using other methods. In Part I of this dissertation, we first advance the pseudospectral method by optimizing it for an important application, polarized Raman spectroscopy, which is a well-established tool used to characterize molecular properties. This is an application of particular importance because often the easiest and most economical way to obtain the polarized Raman spectrum of a material is to simulate it; thus, utilization of the pseudospectral method for this purpose will accelerate progress in the determination of molecular properties. We demonstrate that our implementation of Raman spectroscopy using the pseudospectral method results in spectra that are just as accurate as those calculated using the traditional analytic method, and in the process, we derive the most comprehensive formulation to date of polarized Raman intensity formulas, applicable to both crystalline and isotropic systems. Next, we apply our implementation to determine the orientations of crystalline oligothiophenes -- a class of materials important in the field of organic electronics -- achieving excellent agreement with experiment and demonstrating the general utility of polarized Raman spectroscopy for the determination of crystal orientation. In addition, we derive from first-principles a method for using polarized Raman spectra to establish unambiguously whether a uniform region of a material is crystalline or isotropic. Finally, we introduce free, open-source software that allows a user to determine any of a number of polarized Raman properties of a sample given common output from electronic structure calculations. In Part II, we apply the pseudospectral method to other areas of scientific importance requiring a deeper understanding of molecular structure and function. First, we use it to accurately determine the frequencies of vibrational tags on biomolecules that can be detected in real-time using stimulated Raman spectroscopy. Next, we evaluate the performance of the pseudospectral method for calculating excited-state energies and energy gradients of large molecules -- another new application of the pseudospectral method -- showing that the calculations run much more quickly than those using the analytic method. Finally, we use the pseudospectral method to simulate the bottleneck process of a solar cell used for water splitting, a promising technology for converting the sun's energy into hydrogen fuel. We apply the speed of the pseudospectral method by modeling the relevant part of the system as a large, explicitly passivated titanium dioxide nanoparticle and simulating it realistically using hybrid density functional theory with an implicit solvent model, yielding insight into the physical nature of the rate-limiting step of water splitting. These results further validate the particularly fast and accurate simulation methodologies used, opening the door to efficient and realistic cluster-based, fully quantum-mechanical simulations of the bottleneck process of a promising technology for clean solar energy conversion. Taken together, we show how both polarized Raman spectroscopy and the pseudospectral method are effective tools for analyzing the structure and function of important molecular systems.

First-principle calculations of electronic structures and polar properties of (κ,ε)-Ga2O3

NASA Astrophysics Data System (ADS)

Kim, Juyeong; Tahara, Daisuke; Miura, Yoshino; Kim, Bog G.

2018-06-01

Physical properties of κ- and ε-Ga2O3 are investigated using density functional theory. We utilized the supercell method considering the partial occupancies in ε-Ga2O3. The polarization values of these materials were analyzed to overcome the inconsistency between experimental and theoretical studies. The polarization values of κ- and ε-Ga2O3 were ∼26.39 and 24.44 µC/cm2, respectively. The bandgap values of 4.62 and 4.27 eV were estimated with the hybrid functional method, which suggested an underestimation of the PBEsol functional values of 2.32 and 2.06 eV for κ- and ε-Ga2O3, respectively.

Differential polarization nonlinear optical microscopy with adaptive optics controlled multiplexed beams.

PubMed

Samim, Masood; Sandkuijl, Daaf; Tretyakov, Ian; Cisek, Richard; Barzda, Virginijus

2013-09-09

Differential polarization nonlinear optical microscopy has the potential to become an indispensable tool for structural investigations of ordered biological assemblies and microcrystalline aggregates. Their microscopic organization can be probed through fast and sensitive measurements of nonlinear optical signal anisotropy, which can be achieved with microscopic spatial resolution by using time-multiplexed pulsed laser beams with perpendicular polarization orientations and photon-counting detection electronics for signal demultiplexing. In addition, deformable membrane mirrors can be used to correct for optical aberrations in the microscope and simultaneously optimize beam overlap using a genetic algorithm. The beam overlap can be achieved with better accuracy than diffraction limited point-spread function, which allows to perform polarization-resolved measurements on the pixel-by-pixel basis. We describe a newly developed differential polarization microscope and present applications of the differential microscopy technique for structural studies of collagen and cellulose. Both, second harmonic generation, and fluorescence-detected nonlinear absorption anisotropy are used in these investigations. It is shown that the orientation and structural properties of the fibers in biological tissue can be deduced and that the orientation of fluorescent molecules (Congo Red), which label the fibers, can be determined. Differential polarization microscopy sidesteps common issues such as photobleaching and sample movement. Due to tens of megahertz alternating polarization of excitation pulses fast data acquisition can be conveniently applied to measure changes in the nonlinear signal anisotropy in dynamically changing in vivo structures.

Weak ferromagnetism in a high-pressure phase of FeTiO3 with polar lattice distortion

NASA Astrophysics Data System (ADS)

Varga, Tamas; Mitchell, John; Fennie, Craig; Streiffer, Stephen; Hong, Seungbum; Park, Moonkyu; Gopalan, Venkatraman; Kumar, Amit; Vlahos, Eftihia; Sanehira, Takeshi; Wang, Yanbin

2009-03-01

Today's challenge in multiferroics is to identify materials in which polarization and magnetization -- normally considered contraindicated properties - are strongly coupled. Recent density functional theory calculations have predicted that the family of compounds MTiO3 (M = Mn, Fe, Ni) are promising candidates where a polar lattice distortion can induce weak ferromagnetism. The crucial insight is that while the equilibrium one-atmosphere structure of these is ilmenite, they must be transformed to a closely related LiNbO3-type structure. We have prepared the corresponding FeTiO3 phase at 18 GPa and 1200 ^oC. It shows a sharp antiferromagnetic (AF) transition at 111.5 K. FeTiO3 also displays ferroelectric domains, and weak ferromagnetism coincident with the AF transition. Possible coupling between its polarization and weak ferromagnetism is discussed based on results of piezoelectric force microscopy (PFM), second harmonic generation (SHG), dielectric, and polarization measurements.

Unified design of sinusoidal-groove fused-silica grating.

PubMed

Feng, Jijun; Zhou, Changhe; Cao, Hongchao; Lu, Peng

2010-10-20

A general design rule of deep-etched subwavelength sinusoidal-groove fused-silica grating as a highly efficient polarization-independent or polarization-selective device is studied based on the simplified modal method, which shows that the device structure depends little on the incident wavelength, but mainly on the ratio of groove depth to incident wavelength and the ratio of wavelength to grating period. These two ratios could be used as the design guidelines for wavelength-independent structure from deep ultraviolet to far infrared. The optimized grating profile with a different function as a polarizing beam splitter, a polarization-independent two-port beam splitter, or a polarization-independent grating with high efficiency of -1st order is obtained at a wavelength of 1064 nm, and verified by using the rigorous coupled-wave analysis. The performance of the sinusoidal grating is better than a conventional rectangular one, which could be useful for practical applications.

Polarization-dependent bi-functional metasurface for directive radiation and diffusion-like scattering

NASA Astrophysics Data System (ADS)

Cui, Li; Wang, Wenjun; Ding, Guowen; Chen, Ke; Zhao, Junming; Jiang, Tian; Zhu, Bo; Feng, Yijun

2017-11-01

In this paper, we design a bi-functional metasurface with different spatial distribution of reflection phase responses depending on the incident polarization. The metasurface with a thickness of only 0.067 λ0 (λ0 is the working wavelength) is constructed by unit cells composing two orthogonal I-shaped metallic structures, and the reflection phase for x- and y-linearly polarized incidence can be independently controlled by the geometric parameters. The metasurface can work as a flat parabolic reflector antenna with a maximum gain reaching about 22 dBi around 9.5 GHz, when it is illuminated by the x-polarized feed source of an offset open-ended waveguide antenna. Meanwhile, designed with randomly distributed reflection phases, the proposed metasurface can behave as an electromagnetic (EM) diffusion-like surface, which is capable of suppressing the backward scattering in a broadband from 8.5 GHz to 14 GHz for y-polarized incidence. By this strategy of EM functionality integration, a metasurface reflector antenna equipped with stealth technique to achieve simultaneously high gain and low backward scattering is obtained. Finally, experiments have been carried out to demonstrate this design principle, which agree with the simulation results. The proposed metasurface could offer a promising route for designing EM devices with polarization-dependent multi-functionalities.

Highly polarization sensitive photodetectors based on quasi-1D titanium trisulfide (TiS3)

NASA Astrophysics Data System (ADS)

Liu, Sijie; Xiao, Wenbo; Zhong, Mianzeng; Pan, Longfei; Wang, Xiaoting; Deng, Hui-Xiong; Liu, Jian; Li, Jingbo; Wei, Zhongming

2018-05-01

Photodetectors with high polarization sensitivity are in great demand in advanced optical communication. Here, we demonstrate that photodetectors based on titanium trisulfide (TiS3) are extremely sensitive to polarized light (from visible to the infrared), due to its reduced in-plane structural symmetry. By density functional theory calculation, TiS3 has a direct bandgap of 1.13 eV. The highest photoresponsivity reaches 2500 A W-1. What is more, in-plane optical selection caused by strong anisotropy leads to the photoresponsivity ratio for different directions of polarization that can reach 4:1. The angle-dependent photocurrents of TiS3 clearly display strong linear dichroism. Moreover, the Raman peak at 370 cm-1 is also very sensitive to the polarization direction. The theoretical optical absorption of TiS3 is calculated by using the HSE06 hybrid functional method, in qualitative agreement with the observed experimental photoresponsivity.

Highly polarization sensitive photodetectors based on quasi-1D titanium trisulfide (TiS3).

PubMed

Liu, Sijie; Xiao, Wenbo; Zhong, Mianzeng; Pan, Longfei; Wang, Xiaoting; Deng, Hui-Xiong; Liu, Jian; Li, Jingbo; Wei, Zhongming

2018-05-04

Photodetectors with high polarization sensitivity are in great demand in advanced optical communication. Here, we demonstrate that photodetectors based on titanium trisulfide (TiS 3 ) are extremely sensitive to polarized light (from visible to the infrared), due to its reduced in-plane structural symmetry. By density functional theory calculation, TiS 3 has a direct bandgap of 1.13 eV. The highest photoresponsivity reaches 2500 A W -1 . What is more, in-plane optical selection caused by strong anisotropy leads to the photoresponsivity ratio for different directions of polarization that can reach 4:1. The angle-dependent photocurrents of TiS 3 clearly display strong linear dichroism. Moreover, the Raman peak at 370 cm -1 is also very sensitive to the polarization direction. The theoretical optical absorption of TiS 3 is calculated by using the HSE06 hybrid functional method, in qualitative agreement with the observed experimental photoresponsivity.

Spin polarization in Co-Pt alloys

NASA Astrophysics Data System (ADS)

Pulikkotil, J.; Antropov, V.; Faiz, M.; Panguluri, R.; Nadgorny, B.; Kaiser, C.; Parkin, S.

2007-03-01

The degree of spin polarization in the system of disordered Co-Pt alloys has been studied using density functional approach. The electronic structure of several ordered intermetallics have been analyzed in details. Our analysis is focussed on the difference between magnetization and the degree of spin polarization as a function of Pt concentration, measured by spin tunneling spectroscopy[1] and Andreev reflection spectroscopy[2]. Several factors influencing the deviation of these quantities from a linear behavior have been identified. We attempt to explain the dependence of spin polarization on magnetization observed experimentally by both techniques. We also discuss the effect of different tunnel barriers observed in Ref.[1]. In general, experimental tendencies have been confirmed using ab-intio methods, and we consider the possible origin of spin polarization in these alloys. [1] C. Kaiser, S. van Dijken, S.-H. Yang, H. Yang, and S. S. P. Parkin, Phys. Rev. Lett. 94, 247203 (2005) [2] R. P. Panguluri et al, unpublished

A3V5O14 (A = K+, Rb+, or Tl+), new polar oxides with a tetragonal tungsten bronze related structural topology: synthesis, structure, and functional properties.

PubMed

Yeon, Jeongho; Kim, Sang-Hwan; Halasyamani, P Shiv

2010-08-02

Three polar noncentrosymmetric (NCS) oxide materials, A(3)V(5)O(14) (A = K(+), Rb(+), or Tl(+)), have been synthesized by hydrothermal and conventional solid state techniques. Their crystal structures and functional properties (second-harmonic generation, piezoelectricity, and polarization) have been determined. The iso-structural materials exhibit a layered structural topology that consists of corner-sharing VO(4) tetrahedra and VO(5) square pyramids. The layers stack parallel to the c-axis direction and are separated by the K(+), Rb(+), or Tl(+) cations. Powder second-harmonic generation (SHG) measurements using 1064 nm radiation indicate the materials exhibit moderate SHG efficiencies of approximately 100 x alpha-SiO(2). Additional SHG measurements, that is, particle size versus SHG efficiency, indicate the materials are type-I phase-matchable. Converse piezoelectric measurements for K(3)V(5)O(14), Rb(3)V(5)O(14), and Tl(3)V(5)O(14) revealed d(33) values of 28, 22, and 26 pm/V, respectively. Pyroelectric measurements, that is, temperature-dependent polarization measurements, resulted in pyroelectric coefficients of -2.2, -2.9, and -2.8 microC/m(2) x K at 65 degrees C, for K(3)V(5)O(14), Rb(3)V(5)O(14), and Tl(3)V(5)O(14) respectively. Frequency-dependent polarization measurements confirmed that all of the materials are nonferroelectric, consistent with our first principle density functional theory (DFT) electronic structure calculations. Infrared, UV-vis, thermogravimetric, and differential scanning calorimetry measurements were also performed. Crystal data: K(3)V(5)O(14), trigonal, space group P31m (No. 157), a = 8.6970(16) A, c = 4.9434(19) A, V = 323.81(15), and Z = 1; Rb(3)V(5)O(14), trigonal, space group P31m (No. 157), a = 8.7092(5) A, c = 5.2772(7) A, V = 346.65(5), and Z = 1; Tl(3)V(5)O(14), trigonal, space group P31m (No. 157), a = 8.7397(8) A, c = 5.0846(10) A, V = 336.34(8), and Z = 1.

Tip-induced domain structures and polarization switching in ferroelectric amino acid glycine

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

Seyedhosseini, E., E-mail: Seyedhosseini@ua.pt; Ivanov, M.; Bdikin, I.

2015-08-21

Bioorganic ferroelectrics and piezoelectrics are becoming increasingly important in view of their intrinsic compatibility with biological environment and biofunctionality combined with strong piezoelectric effect and a switchable polarization at room temperature. Here, we study tip-induced domain structures and polarization switching in the smallest amino acid β-glycine, representing a broad class of non-centrosymmetric amino acids. We show that β-glycine is indeed a room-temperature ferroelectric and polarization can be switched by applying a bias to non-polar cuts via a conducting tip of atomic force microscope (AFM). Dynamics of these in-plane domains is studied as a function of an applied voltage and pulsemore » duration. The domain shape is dictated by polarization screening at the domain boundaries and mediated by growth defects. Thermodynamic theory is applied to explain the domain propagation induced by the AFM tip. Our findings suggest that the properties of β-glycine are controlled by the charged domain walls which in turn can be manipulated by an external bias.« less

Unique spin-polarized transmission effects in a QD ring structure

NASA Astrophysics Data System (ADS)

Hedin, Eric; Joe, Yong

2010-10-01

Spintronics is an emerging field in which the spin of the electron is used for switching purposes and to communicate information. In order to obtain spin-polarized electron transmission, the Zeeman effect is employed to produce spin-split energy states in quantum dots which are embedded in the arms of a mesoscopic Aharonov-Bohm (AB) ring heterostructure. The Zeeman splitting of the QD energy levels can be induced by a parallel magnetic field, or by a perpendicular field which also produces AB-effects. The combination of these effects on the transmission resonances of the structure is studied analytically and several parameter regimes are identified which produce a high degree of spin-polarized output. Contour and line plots of the weighted spin polarization as a function of electron energy and magnetic field are presented to visualize the degree of spin-polarization. Taking advantage of these unique parameter regimes shows the potential promise of such devices for producing spin-polarized currents.

Polarity control at interfaces: Quantifying pseudo-solvent effects in nano-confined systems

DOE PAGES

Singappuli-Arachchige, Dilini; Manzano, J. Sebastian; Sherman, Lindy M.; ...

2016-08-02

Surface functionalization controls local environments and induces solvent-like effects at liquid–solid interfaces. We explored structure–property relationships between organic groups bound to pore surfaces of mesoporous silica nanoparticles and Stokes shifts of the adsorbed solvatochromic dye Prodan. Correlating shifts of the dye on the surfaces with its shifts in solvents resulted in a local polarity scale for functionalized pores. The scale was validated by studying the effects of pore polarity on quenching of Nile Red fluorescence and on the vibronic band structure of pyrene. Measurements were done in aqueous suspensions of porous particles, proving that the dielectric properties in the poresmore » are different from the bulk solvent. The precise control of pore polarity was used to enhance the catalytic activity of TEMPO in the aerobic oxidation of furfuryl alcohol in water. Furthermore, an inverse relationship was found between pore polarity and activity of TEMPO in the pores, demonstrating that controlling the local polarity around an active site allows modulating the activity of nanoconfined catalysts.« less

Photoproduction of η mesons from the neutron: Cross sections and double polarization observable E

NASA Astrophysics Data System (ADS)

Witthauer, L.; Dieterle, M.; Afzal, F.; Anisovich, A. V.; Bantes, B.; Bayadilov, D.; Beck, R.; Bichow, M.; Brinkmann, K.-T.; Böse, S.; Challand, Th.; Crede, V.; Dutz, H.; Eberhardt, H.; Elsner, D.; Ewald, R.; Fornet-Ponse, K.; Friedrich, St.; Frommberger, F.; Funke, Ch.; Goertz, St.; Gottschall, M.; Gridnev, A.; Grüner, M.; Gutz, E.; Hammann, D.; Hammann, Ch.; Hannappel, J.; Hartmann, J.; Hillert, W.; Hoffmeister, Ph.; Honisch, Ch.; Jude, T.; Kaiser, D.; Kalinowsky, H.; Kalischewski, F.; Kammer, S.; Käser, A.; Keshelashvili, I.; Klassen, P.; Kleber, V.; Klein, F.; Koop, K.; Krusche, B.; Lang, M.; Lopatin, I.; Mahlberg, Ph.; Makonyi, K.; Metag, V.; Meyer, W.; Müller, J.; Müllers, J.; Nanova, M.; Nikonov, V.; Piontek, D.; Reicherz, G.; Rostomyan, T.; Sarantsev, A.; Schmidt, Ch.; Schmieden, H.; Seifen, T.; Sokhoyan, V.; Spieker, K.; Thiel, A.; Thoma, U.; Urban, M.; van Pee, H.; Walford, N. K.; Walther, D.; Wendel, Ch.; Werthmüller, D.; Wilson, A.; Winnebeck, A.

2017-03-01

Results from measurements of the photoproduction of η mesons from quasifree protons and neutrons are summarized. The experiments were performed with the CBELSA/TAPS detector at the electron accelerator ELSA in Bonn using the η→ 3π0→ 6γ decay. A liquid deuterium target was used for the measurement of total cross sections and angular distributions. The results confirm earlier measurements from Bonn and the MAMI facility in Mainz about the existence of a narrow structure in the excitation function of γ n→ nη. The current angular distributions show a forward-backward asymmetry, which was previously not seen, but was predicted by model calculations including an additional narrow P_{11} state. Furthermore, data obtained with a longitudinally polarized, deuterated butanol target and a circularly polarized photon beam were analyzed to determine the double polarization observable E. Both data sets together were also used to extract the helicity-dependent cross sections σ_{1/2} and σ_{3/2}. The narrow structure in the excitation function of γ n→ nη appears associated with the helicity-1/2 component of the reaction.

Biochemical survey of the polar head of plant glycosylinositolphosphoceramides unravels broad diversity.

PubMed

Cacas, Jean-Luc; Buré, Corinne; Furt, Fabienne; Maalouf, Jean-Paul; Badoc, Alain; Cluzet, Stéphanie; Schmitter, Jean-Marie; Antajan, Elvire; Mongrand, Sébastien

2013-12-01

Although Glycosyl-Inositol-Phospho-Ceramides (GIPCs) are the main sphingolipids of plant tissues, they remain poorly characterized in term of structures. This lack of information, notably with regard to polar heads, currently hampers the understanding of GIPC functions in biological systems. This situation prompted us to undertake a large scale-analysis of plant GIPCs: 23 plant species chosen in various phylogenetic groups were surveyed for their total GIPC content. GIPCs were extracted and their polar heads were characterized by negative ion MALDI and ESI mass spectrometry. Our data shed light on an unexpected broad diversity of GIPC distributions within Plantae, and the occurrence of yet-unreported GIPC structures in green and red algae. In monocots, GIPCs with three saccharides were apparently found to be major, whereas a series with two saccharides was dominant in Eudicots within a few notable exceptions. In plant cell cultures, GIPC polar heads appeared to bear a higher number of glycan units than in the tissue from which they originate. Perspectives are discussed in term of GIPC metabolism diversity and function of these lipids. Copyright © 2013 Elsevier Ltd. All rights reserved.

Target and double spin asymmetries of deeply virtual π0 production with a longitudinally polarized proton target and CLAS

NASA Astrophysics Data System (ADS)

Kim, A.; Avakian, H.; Burkert, V.; Joo, K.; Kim, W.; Adhikari, K. P.; Akbar, Z.; Anefalos Pereira, S.; Badui, R. A.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Boiarinov, S.; Bosted, P.; Briscoe, W. J.; Brooks, W. K.; Bültmann, S.; Cao, T.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Chetry, T.; Colaneri, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Cortes, O.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Djalali, C.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fedotov, G.; Fersch, R.; Filippi, A.; Fleming, J. A.; Fradi, A.; Garc con, M.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guo, L.; Hafidi, K.; Hanretty, C.; Hattawy, M.; Heddle, D.; Hicks, K.; Holtrop, M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joosten, S.; Keller, D.; Khachatryan, G.; Khandaker, M.; Klein, A.; Klein, F. J.; Kubarovsky, V.; Kuhn, S. E.; Kuleshov, S. V.; Lanza, L.; Lenisa, P.; Lu, H. Y.; MacGregor, I. J. D.; Markov, N.; Mattione, P.; McCracken, M. E.; McKinnon, B.; Mokeev, V.; Movsisyan, A.; Munevar, E.; Nadel-Turonski, P.; Net, L. A.; Niccolai, S.; Osipenko, M.; Ostrovidov, A. I.; Paolone, M.; Park, K.; Pasyuk, E.; Phelps, W.; Pisano, S.; Pogorelko, O.; Price, J. W.; Prok, Y.; Ripani, M.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Salgado, C.; Schumacher, R. A.; Seder, E.; Sharabian, Y. G.; Skorodumina, Iu.; Smith, G. D.; Sokhan, D.; Sparveris, N.; Stepanyan, S.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Sytnik, V.; Taiuti, M.; Torayev, B.; Ungaro, M.; Voskanyan, H.; Voutier, E.; Watts, D. P.; Wei, X.; Weinstein, L. B.; Zachariou, N.; Zana, L.; Zhang, J.

2017-05-01

The target and double spin asymmetries of the exclusive pseudoscalar channel e → p → → epπ0 were measured for the first time in the deep-inelastic regime using a longitudinally polarized 5.9 GeV electron beam and a longitudinally polarized proton target at Jefferson Lab with the CEBAF Large Acceptance Spectrometer (CLAS). The data were collected over a large kinematic phase space and divided into 110 four-dimensional bins of Q2, xB, -t and ϕ. Large values of asymmetry moments clearly indicate a substantial contribution to the polarized structure functions from transverse virtual photon amplitudes. The interpretation of experimental data in terms of generalized parton distributions (GPDs) provides the first insight on the chiral-odd GPDs H˜T and ET, and complement previous measurements of unpolarized structure functions sensitive to the GPDs HT and EbarT. These data provide a crucial input for parametrizations of essentially unknown chiral-odd GPDs and will strongly influence existing theoretical calculations based on the handbag formalism.

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

NASA Astrophysics Data System (ADS)

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

2003-11-01

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

PBX/extradenticle is required to re-establish axial structures and polarity during planarian regeneration

PubMed Central

Blassberg, Robert A.; Felix, Daniel A.; Tejada-Romero, Belen; Aboobaker, A. Aziz

2013-01-01

Recent advances in a number of systems suggest many genes involved in orchestrating regeneration are redeployed from similar processes in development, with others being novel to the regeneration process in particular lineages. Of particular importance will be understanding the architecture of regenerative genetic regulatory networks and whether they are conserved across broad phylogenetic distances. Here, we describe the role of the conserved TALE class protein PBX/Extradenticle in planarians, a representative member of the Lophotrocozoa. PBX/Extradenticle proteins play central roles in both embryonic and post-embryonic developmental patterning in both vertebrates and insects, and we demonstrate a broad requirement during planarian regeneration. We observe that Smed-pbx has pleiotropic functions during regeneration, with a primary role in patterning the anterior-posterior (AP) axis and AP polarity. Smed-pbx is required for expression of polarity determinants notum and wnt1 and for correct patterning of the structures polarized along the AP axis, such as the brain, pharynx and gut. Overall, our data suggest that Smed-pbx functions as a central integrator of positional information to drive patterning of regeneration along the body axis. PMID:23318635

PBX/extradenticle is required to re-establish axial structures and polarity during planarian regeneration.

PubMed

Blassberg, Robert A; Felix, Daniel A; Tejada-Romero, Belen; Aboobaker, A Aziz

2013-02-01

Recent advances in a number of systems suggest many genes involved in orchestrating regeneration are redeployed from similar processes in development, with others being novel to the regeneration process in particular lineages. Of particular importance will be understanding the architecture of regenerative genetic regulatory networks and whether they are conserved across broad phylogenetic distances. Here, we describe the role of the conserved TALE class protein PBX/Extradenticle in planarians, a representative member of the Lophotrocozoa. PBX/Extradenticle proteins play central roles in both embryonic and post-embryonic developmental patterning in both vertebrates and insects, and we demonstrate a broad requirement during planarian regeneration. We observe that Smed-pbx has pleiotropic functions during regeneration, with a primary role in patterning the anterior-posterior (AP) axis and AP polarity. Smed-pbx is required for expression of polarity determinants notum and wnt1 and for correct patterning of the structures polarized along the AP axis, such as the brain, pharynx and gut. Overall, our data suggest that Smed-pbx functions as a central integrator of positional information to drive patterning of regeneration along the body axis.

The presence and significance of polar meibum and tear lipids.

PubMed

Pucker, Andrew D; Haworth, Kristina M

2015-01-01

The ocular tear film is a complex structure composed of a number of elements. While all of these components serve valuable functional and structural roles, the external lipid layer has been a focus because it is known to play a critical role in dry eye. Traditionally, meibomian gland phospholipids have been considered to be the vital amphiphilic molecules needed to create an interphase between the outer nonpolar lipid layer and inner aqueous layers, yet recent work has called this theory into question. The purpose of this review is to clarify the current understanding of the origins, identity, and significance of polar tear lipids. Studies indicate that both phospholipids and ω-hydroxy fatty acids likely play a critical role in tear film stability. Studies also indicate that polar lipids likely originate from multiple sources and that they are integrally involved in ocular surface disease. Additional studies are needed to fully understand the origins and significance of polar tear lipids, because to date only correlational evidence has described their hypothesized origins and functions. Copyright © 2015 Elsevier Inc. All rights reserved.

Target and double spin asymmetries of deeply virtual π 0 production with a longitudinally polarized proton target and CLAS

DOE PAGES

Kim, A.; Avakian, H.; Burkert, V.; ...

2017-02-22

The target and double spin asymmetries of the exclusive pseudoscalar channelmore » $$\\vec e\\vec p\\to ep\\pi^0$$ were measured for the first time in the deep-inelastic regime using a longitudinally polarized 5.9 GeV electron beam and a longitudinally polarized proton target at Jefferson Lab with the CEBAF Large Acceptance Spectrometer (CLAS). The data were collected over a large kinematic phase space and divided into 110 four-dimensional bins of $Q^2$, $$x_B$$, $-t$ and $$\\phi$$. Large values of asymmetry moments clearly indicate a substantial contribution to the polarized structure functions from transverse virtual photon amplitudes. The interpretation of experimental data in terms of generalized parton distributions (GPDs) provides the first insight on the chiral-odd GPDs $$\\tilde{H}_T$$ and $$E_T$$, and complement previous measurements of unpolarized structure functions sensitive to the GPDs $$H_T$$ and $$\\bar E_T$$. Finally, these data provide necessary constraints for chiral-odd GPD parametrizations and will strongly influence existing theoretical handbag models.« less

Local and average structure of Mn- and La-substituted BiFeO3

NASA Astrophysics Data System (ADS)

Jiang, Bo; Selbach, Sverre M.

2017-06-01

The local and average structure of solid solutions of the multiferroic perovskite BiFeO3 is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space group symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO3. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions.

Local and average structure of Mn- and La-substituted BiFeO 3

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

Jiang, Bo; Selbach, Sverre M.

2017-06-01

The local and average structure of solid solutions of the multiferroic perovskite BiFeO 3 is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space groupmore » symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO 3. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions.« less

Spin dependent structure function g1 of the deuteron and the proton

NASA Astrophysics Data System (ADS)

Klostermann, L.

1995-05-01

This thesis presents a study on the spin structure of the nucleon, via deep inelastic scattering (DIS) of polarized muons on polarized proton and deuterium targets. The work was done in the Spin Muon Collaboration (SMC) at CERN in Geneva. From the asymmetry in the scattering cross section for nucleon and lepton spins parallel and anti-parallel, one can determine the spin dependent structure function g(sub 1), which contains information on the quark and gluon spin distribution functions. The interpretation in the frame work of the quark parton model (QPM) of earlier results on g(sub 1, sup d) by the European Muon Collaboration (EMC), gave an indication that only a small fraction of the proton spin, compatible with zero, is carried by the spins of the constituent quarks. The SMC was set up to check this unexpected result with improved accuracy, and to combine measurements of g(sub 1, sup p) and g(sub 1, sup d) to test a fundamental sum rule in quantum chromodynamics (QCD), the Bjorken sum rule. The SMC results presented in this thesis are based on data taken in 1992 using a polarized deuterium target and polarized muons with an incident energy of 100 GeV, and 1993 data with a proton target and an incident muon energy of 190 GeV. Using all available data, the fundamental Bjorken sum rule has now been verified at the one standard deviation level to within 16% of its theoretical value.

Rapid Mueller matrix polarimetry imaging based on four photoelastic modulators with no moving parts (Conference Presentation)

NASA Astrophysics Data System (ADS)

Gribble, Adam; Alali, Sanaz; Vitkin, Alex

2016-03-01

Polarized light has many applications in biomedical imaging. The interaction of a biological sample with polarized light reveals information about its composition, both structural and functional. For example, the polarimetry-derived metric of linear retardance (birefringence) is dependent on tissue structural organization (anisotropy) and can be used to diagnose myocardial infarct; circular birefringence (optical rotation) can measure glucose concentrations. The most comprehensive type of polarimetry analysis is to measure the Mueller matrix, a polarization transfer function that completely describes how a sample interacts with polarized light. To derive this 4x4 matrix it is necessary to observe how a tissue interacts with different polarizations. A well-suited approach for tissue polarimetry is to use photoelastic modulators (PEMs), which dynamically modulate the polarization of light. Previously, we have demonstrated a rapid time-gated Stokes imaging system that is capable of characterizing the state of polarized light (the Stokes vector) over a large field, after interacting with any turbid media. This was accomplished by synchronizing CCD camera acquisition times relative to two PEMs using a field-programmable gate array (FPGA). Here, we extend this technology to four PEMs, yielding a polarimetry system that is capable of rapidly measuring the complete sample Mueller matrix over a large field of view, with no moving parts and no beam steering. We describe the calibration procedure and evaluate the accuracy of the measurements. Results are shown for tissue-mimicking phantoms, as well as initial biological samples.

Circularly-polarized, semitransparent and double-sided holograms based on helical photonic structures.

PubMed

Kobashi, Junji; Yoshida, Hiroyuki; Ozaki, Masanori

2017-11-28

Recent advances in nanofabrication techniques are opening new frontiers in holographic devices, with the capability to integrate various optical functions in a single device. However, while most efficient holograms are achieved in reflection-mode configurations, they are in general opaque because of the reflective substrate that must be used, and therefore, have limited applicability. Here, we present a semi-transparent, reflective computer-generated hologram that is circularly-polarization dependent, and reconstructs different wavefronts when viewed from different sides. The integrated functionality is realized using a single thin-film of liquid crystal with a self-organized helical structure that Bragg reflects circularly-polarized light over a certain band of wavelengths. Asymmetry depending on the viewing side is achieved by exploiting the limited penetration depth of light in the helical structure as well as the nature of liquid crystals to conform to different orientational patterns imprinted on the two substrates sandwiching the material. Also, because the operation wavelength is determined by the reflection band position, pseudo-color holograms can be made by simply stacking layers with different designs. The unique characteristics of this hologram may find applications in polarization-encoded security holograms and see-through holographic signage where different information need to be displayed depending on the viewing direction.

Gaps in Protoplanetary Disks as Signatures of Planets. III. Polarization

NASA Astrophysics Data System (ADS)

Jang-Condell, Hannah

2017-01-01

Polarimetric observations of T Tauri and Herbig Ae/Be stars are a powerful way to image protoplanetary disks. However, interpretation of these images is difficult because the degree of polarization is highly sensitive to the angle of scattering of stellar light off the disk surface. We examine how disks with and without gaps created by planets appear in scattered polarized light as a function of inclination angle. Isophotes of inclined disks without gaps are distorted in polarized light, giving the appearance that the disks are more eccentric or more highly inclined than they truly are. Apparent gap locations are unaffected by polarization, but the gap contrast changes. In face-on disks with gaps, we find that the brightened far edge of the gap scatters less polarized light than the rest of the disk, resulting in slightly decreased contrast between the gap trough and the brightened far edge. In inclined disks, gaps can take on the appearance of being localized “holes” in brightness rather than full axisymmetric structures. Photocenter offsets along the minor axis of the disk in both total intensity and polarized intensity images can be readily explained by the finite thickness of the disk. Alone, polarized scattered light images of disks do not necessarily reveal intrinsic disk structure. However, when combined with total intensity images, the orientation of the disk can be deduced and much can be learned about disk structure and dust properties.

Planck intermediate results. XIX. An overview of the polarized thermal emission from Galactic dust

NASA Astrophysics Data System (ADS)

Planck Collaboration; Ade, P. A. R.; Aghanim, N.; Alina, D.; Alves, M. I. R.; Armitage-Caplan, C.; Arnaud, M.; Arzoumanian, D.; Ashdown, M.; Atrio-Barandela, F.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Battaner, E.; Benabed, K.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bock, J. J.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Boulanger, F.; Bracco, A.; Burigana, C.; Butler, R. C.; Cardoso, J.-F.; Catalano, A.; Chamballu, A.; Chary, R.-R.; Chiang, H. C.; Christensen, P. R.; Colombi, S.; Colombo, L. P. L.; Combet, C.; Couchot, F.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; Davis, R. J.; de Bernardis, P.; de Gouveia Dal Pino, E. M.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Désert, F.-X.; Dickinson, C.; Diego, J. M.; Donzelli, S.; Doré, O.; Douspis, M.; Dunkley, J.; Dupac, X.; Efstathiou, G.; Enßlin, T. A.; Eriksen, H. K.; Falgarone, E.; Ferrière, K.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Galeotta, S.; Ganga, K.; Ghosh, T.; Giard, M.; Giraud-Héraud, Y.; González-Nuevo, J.; Górski, K. M.; Gregorio, A.; Gruppuso, A.; Guillet, V.; Hansen, F. K.; Harrison, D. L.; Helou, G.; Hernández-Monteagudo, C.; Hildebrandt, S. R.; Hivon, E.; Hobson, M.; Holmes, W. A.; Hornstrup, A.; Huffenberger, K. M.; Jaffe, A. H.; Jaffe, T. R.; Jones, W. C.; Juvela, M.; Keihänen, E.; Keskitalo, R.; Kisner, T. S.; Kneissl, R.; Knoche, J.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lähteenmäki, A.; Lamarre, J.-M.; Lasenby, A.; Lawrence, C. R.; Leahy, J. P.; Leonardi, R.; Levrier, F.; Liguori, M.; Lilje, P. B.; Linden-Vørnle, M.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; Maffei, B.; Magalhães, A. M.; Maino, D.; Mandolesi, N.; Maris, M.; Marshall, D. J.; Martin, P. G.; Martínez-González, E.; Masi, S.; Matarrese, S.; Mazzotta, P.; Melchiorri, A.; Mendes, L.; Mennella, A.; Migliaccio, M.; Miville-Deschênes, M.-A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Munshi, D.; Murphy, J. A.; Naselsky, P.; Nati, F.; Natoli, P.; Netterfield, C. B.; Noviello, F.; Novikov, D.; Novikov, I.; Oxborrow, C. A.; Pagano, L.; Pajot, F.; Paladini, R.; Paoletti, D.; Pasian, F.; Pearson, T. J.; Perdereau, O.; Perotto, L.; Perrotta, F.; Piacentini, F.; Piat, M.; Pietrobon, D.; Plaszczynski, S.; Poidevin, F.; Pointecouteau, E.; Polenta, G.; Popa, L.; Pratt, G. W.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Reach, W. T.; Rebolo, R.; Reinecke, M.; Remazeilles, M.; Renault, C.; Ricciardi, S.; Riller, T.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Roudier, G.; Rubiño-Martín, J. A.; Rusholme, B.; Sandri, M.; Savini, G.; Scott, D.; Spencer, L. D.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Umana, G.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vielva, P.; Villa, F.; Wade, L. A.; Wandelt, B. D.; Zacchei, A.; Zonca, A.

2015-04-01

This paper presents an overview of the polarized sky as seen by Planck HFI at 353 GHz, which is the most sensitive Planck channel for dust polarization. We construct and analyse maps of dust polarization fraction and polarization angle at 1° resolution, taking into account noise bias and possible systematic effects. The sensitivity of the Planck HFI polarization measurements allows for the first time a mapping of Galactic dust polarized emission on large scales, including low column density regions. We find that the maximum observed dust polarization fraction is high (pmax = 19.8%), in particular in some regions of moderate hydrogen column density (NH < 2 × 1021 cm-2). The polarization fraction displays a large scatter at NH below a few 1021 cm-2. There is a general decrease in the dust polarization fraction with increasing column density above NH ≃ 1 × 1021 cm-2 and in particular a sharp drop above NH ≃ 1.5 × 1022 cm-2. We characterize the spatial structure of the polarization angle using the angle dispersion function. We find that the polarization angle is ordered over extended areas of several square degrees, separated by filamentary structures of high angle dispersion function. These appear as interfaces where the sky projection of the magnetic field changes abruptly without variations in the column density. The polarization fraction is found to be anti-correlated with the dispersion of polarization angles. These results suggest that, at the resolution of 1°, depolarization is due mainly to fluctuations in the magnetic field orientation along the line of sight, rather than to the loss of grain alignment in shielded regions. We also compare the polarization of thermal dust emission with that of synchrotron measured with Planck, low-frequency radio data, and Faraday rotation measurements toward extragalactic sources. These components bear resemblance along the Galactic plane and in some regions such as the Fan and North Polar Spur regions. The poor match observed in other regions shows, however, that dust, cosmic-ray electrons, and thermal electrons generally sample different parts of the line of sight. Appendices are available in electronic form at http://www.aanda.org

The impacts of surface polarity on the solubility of nanoparticle

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

Zhu, Jianzhuo; Su, Jiguo, E-mail: jiguosu@ysu.edu.cn; Ou, Xinwen

In order to study the dependence of water solubility and hydration behavior of nanoparticles on their surface polarity, we designed polar nanoparticles with varying surface polarity by assigning atomic partial charge to the surface of C60. The water solubility of the nanoparticle is enhanced by several orders of magnitude after the introduction of surface polarity. Nevertheless, when the atomic partial charge grows beyond a certain value (q{sub M}), the solubility continuously decreases to the level of nonpolar nanoparticle. It should be noted that such q{sub M} is comparable with atomic partial charge of a variety of functional groups. The hydrationmore » behaviors of nanoparticles were then studied to investigate the non-monotonic dependence of solubility on the surface polarity. The interaction between the polar nanoparticle and the hydration water is stronger than the nonpolar counterpart, which should facilitate the dissolution of the nanoparticles. On the other hand, the surface polarity also reduces the interaction of hydration water with the other water molecules and enhances the interaction between the nanoparticles which may hinder their dispersion. Besides, the introduction of surface polarity disturbs and even rearranges the hydration structure of nonpolar nanoparticle. Interestingly, the polar nanoparticle with less ordered hydration structure tends to have higher water solubility.« less

Insect Responses to Linearly Polarized Reflections: Orphan Behaviors Without Neural Circuits.

PubMed

Heinloth, Tanja; Uhlhorn, Juliane; Wernet, Mathias F

2018-01-01

The e-vector orientation of linearly polarized light represents an important visual stimulus for many insects. Especially the detection of polarized skylight by many navigating insect species is known to improve their orientation skills. While great progress has been made towards describing both the anatomy and function of neural circuit elements mediating behaviors related to navigation, relatively little is known about how insects perceive non-celestial polarized light stimuli, like reflections off water, leaves, or shiny body surfaces. Work on different species suggests that these behaviors are not mediated by the "Dorsal Rim Area" (DRA), a specialized region in the dorsal periphery of the adult compound eye, where ommatidia contain highly polarization-sensitive photoreceptor cells whose receptive fields point towards the sky. So far, only few cases of polarization-sensitive photoreceptors have been described in the ventral periphery of the insect retina. Furthermore, both the structure and function of those neural circuits connecting to these photoreceptor inputs remain largely uncharacterized. Here we review the known data on non-celestial polarization vision from different insect species (dragonflies, butterflies, beetles, bugs and flies) and present three well-characterized examples for functionally specialized non-DRA detectors from different insects that seem perfectly suited for mediating such behaviors. Finally, using recent advances from circuit dissection in Drosophila melanogaster , we discuss what types of potential candidate neurons could be involved in forming the underlying neural circuitry mediating non-celestial polarization vision.

Tau lepton polarization in quasielastic neutrino-nucleon scattering

NASA Astrophysics Data System (ADS)

Kuzmin, Konstantin S.; Lyubushkin, Vladimir V.; Naumov, Vadim A.

2005-02-01

We derive structure functions for the quasielastic production of octet baryons in νn and νp interactions and study the polarization of τ leptons produced in the ΔY=0 reactions. Possible impact of the charged second-class currents is investigated by adopting a simple phenomenological parametrization for the nonstandard scalar and tensor nucleon form factors. Our choice of the unknown parameters is made to satisfy the limits obtained in the (anti)neutrino scattering experiments and rigid restrictions derived from the nuclear structure studies.

Pathogenic changes of dispersion and contrast of coherent images of biotissues

NASA Astrophysics Data System (ADS)

Pishak, Olga V.

2002-02-01

The paper presents the results of polarization-correlation investigation of multifractal collagen structure of physiologically normal and pathologically changed tissues of women's reproductive sphere and of skin. The technique of polarization selection of coherent biotissues' images with the following determination of their autocorrelation functions and spectral densities is suggested. The correlation-optical criteria of early diagnostics of pathological changes' appearance of myometry (forming of the germ of fibromyoma) and of skin(psoriasis) are determined. The suggested paper is directed to investigation of the possibilities of pathological changes of biotissues' morphological structure by means of determining the polarizationally filtered autocorrelation functions (ACF) and corresponding spectral densities of their coherent images.

Structured caustic vector vortex optical field: manipulating optical angular momentum flux and polarization rotation.

PubMed

Chen, Rui-Pin; Chen, Zhaozhong; Chew, Khian-Hooi; Li, Pei-Gang; Yu, Zhongliang; Ding, Jianping; He, Sailing

2015-05-29

A caustic vector vortex optical field is experimentally generated and demonstrated by a caustic-based approach. The desired caustic with arbitrary acceleration trajectories, as well as the structured states of polarization (SoP) and vortex orders located in different positions in the field cross-section, is generated by imposing the corresponding spatial phase function in a vector vortex optical field. Our study reveals that different spin and orbital angular momentum flux distributions (including opposite directions) in different positions in the cross-section of a caustic vector vortex optical field can be dynamically managed during propagation by intentionally choosing the initial polarization and vortex topological charges, as a result of the modulation of the caustic phase. We find that the SoP in the field cross-section rotates during propagation due to the existence of the vortex. The unique structured feature of the caustic vector vortex optical field opens the possibility of multi-manipulation of optical angular momentum fluxes and SoP, leading to more complex manipulation of the optical field scenarios. Thus this approach further expands the functionality of an optical system.

An overview of recent nucleon spin structure measurements at Jefferson Lab

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

Allada, Kalyan

2016-02-01

Jefferson Lab have made significant contributions to improve our knowledge of the longitudinal spin structure by measuring polarized structure functions, g1 and g2, down to Q2 = 0.02 GeV2. The low Q2 data is especially useful in testing the Chiral Perturbation theory (cPT) calculations. The spin-dependent sum rules and the spin polarizabilities, constructed from the moments of g1 and g2, provide an important tool to study the longitudinal spin structure. We will present an overview of the experimental program to measure these structure functions at Jefferson Lab, and present some recent results on the neutron polarizabilities, proton g1 at lowmore » Q2, and proton and neutron d2 measurement. In addition to this, we will discuss the transverse spin structure of the nucleon which can be accessed using chiral-odd transversity distribution (h1), and show some results from measurements done on polarized 3He target in Hall A.« less

Dynamic nuclear polarization methods in solids and solutions to explore membrane proteins and membrane systems.

PubMed

Cheng, Chi-Yuan; Han, Songi

2013-01-01

Membrane proteins regulate vital cellular processes, including signaling, ion transport, and vesicular trafficking. Obtaining experimental access to their structures, conformational fluctuations, orientations, locations, and hydration in membrane environments, as well as the lipid membrane properties, is critical to understanding their functions. Dynamic nuclear polarization (DNP) of frozen solids can dramatically boost the sensitivity of current solid-state nuclear magnetic resonance tools to enhance access to membrane protein structures in native membrane environments. Overhauser DNP in the solution state can map out the local and site-specific hydration dynamics landscape of membrane proteins and lipid membranes, critically complementing the structural and dynamics information obtained by electron paramagnetic resonance spectroscopy. Here, we provide an overview of how DNP methods in solids and solutions can significantly increase our understanding of membrane protein structures, dynamics, functions, and hydration in complex biological membrane environments.

Astronomy in Denver: Polarization of bow shock nebulae around massive stars

NASA Astrophysics Data System (ADS)

Shrestha, Manisha; Hoffman, Jennifer L.; Ignace, Richard; Neilson, Hilding; Richard Ignace

2018-06-01

Stellar wind bow shocks are structures created when stellar winds with supersonic relative velocities interact with the local interstellar medium (ISM). They can be studied to understand the properties of stars as well as the ISM. Since bow shocks are asymmetric, light becomes polarized by scattering in the regions of enhanced density they create. We use a Monte Carlo radiative transfer code calle SLIP to simulate the polarization signatures produced by both resolved and unresolved bow shocks with analytically derived shapes and density structures. When electron scattering is the polarizing mechanism, we find that optical depth plays an important role in the polarization signatures. While results for low optical depths reproduce theoretical predictions, higher optical depths produce higher polarization and position angle rotations at specific viewing angles. This is due to the geometrical properties of the bow shock along with multiple scattering effects. For dust scattering, we find that the polarization signature is strongly affected by wavelength, dust size, dust composition, and viewing angle. Depending on the viewing angle, the polarization magnitude may increase or decrease as a function of wavelength. We will present results from these simulations and preliminary comparisons with observational data.

Polarization control in flexible interference lithography for nano-patterning of different photonic structures with optimized contrast.

PubMed

He, Jianfang; Fang, Xiaohui; Lin, Yuanhai; Zhang, Xinping

2015-05-04

Half-wave plates were introduced into an interference-lithography scheme consisting of three fibers that were arranged into a rectangular triangle. Such a flexible and compact geometry allows convenient tuning of the polarizations of both the UV laser source and each branch arm. This not only enables optimization of the contrast of the produced photonic structures with expected square lattices, but also multiplies the nano-patterning functions of a fixed design of fiber-based interference lithography. The patterns of the photonic structures can be thus tuned simply by rotating a half-wave plate.

Stability and function of a putative microtubule-organizing center in the human parasite Toxoplasma gondii

PubMed Central

Leung, Jacqueline M.; He, Yudou; Zhang, Fangliang; Hwang, Yu-Chen; Nagayasu, Eiji; Liu, Jun; Murray, John M.; Hu, Ke

2017-01-01

The organization of the microtubule cytoskeleton is dictated by microtubule nucleators or organizing centers. Toxoplasma gondii, an important human parasite, has an array of 22 regularly spaced cortical microtubules stemming from a hypothesized organizing center, the apical polar ring. Here we examine the functions of the apical polar ring by characterizing two of its components, KinesinA and APR1, and show that its putative role in templating can be separated from its mechanical stability. Parasites that lack both KinesinA and APR1 (ΔkinesinAΔapr1) are capable of generating 22 cortical microtubules. However, the apical polar ring is fragmented in live ΔkinesinAΔapr1 parasites and is undetectable by electron microscopy after detergent extraction. Disintegration of the apical polar ring results in the detachment of groups of microtubules from the apical end of the parasite. These structural defects are linked to a diminished ability of the parasite to move and invade host cells, as well as decreased secretion of effectors important for these processes. Together the findings demonstrate the importance of the structural integrity of the apical polar ring and the microtubule array in the Toxoplasma lytic cycle, which is responsible for massive tissue destruction in acute toxoplasmosis. PMID:28331073

Insights into the three-dimensional Lagrangian geometry of the Antarctic polar vortex

NASA Astrophysics Data System (ADS)

Curbelo, Jezabel; José García-Garrido, Víctor; Mechoso, Carlos Roberto; Mancho, Ana Maria; Wiggins, Stephen; Niang, Coumba

2017-07-01

In this paper we study the three-dimensional (3-D) Lagrangian structures in the stratospheric polar vortex (SPV) above Antarctica. We analyse and visualize these structures using Lagrangian descriptor function M. The procedure for calculation with reanalysis data is explained. Benchmarks are computed and analysed that allow us to compare 2-D and 3-D aspects of Lagrangian transport. Dynamical systems concepts appropriate to 3-D, such as normally hyperbolic invariant curves, are discussed and applied. In order to illustrate our approach we select an interval of time in which the SPV is relatively undisturbed (August 1979) and an interval of rapid SPV changes (October 1979). Our results provide new insights into the Lagrangian structure of the vertical extension of the stratospheric polar vortex and its evolution. Our results also show complex Lagrangian patterns indicative of strong mixing processes in the upper troposphere and lower stratosphere. Finally, during the transition to summer in the late spring, we illustrate the vertical structure of two counterrotating vortices, one the polar and the other an emerging one, and the invariant separatrix that divides them.

Model for the role of auxin polar transport in patterning of the leaf adaxial-abaxial axis.

PubMed

Shi, Jianmin; Dong, Jiaqiang; Xue, Jingshi; Wang, Hua; Yang, Zhongnan; Jiao, Yuling; Xu, Lin; Huang, Hai

2017-11-01

Leaf adaxial-abaxial polarity refers to the two leaf faces, which have different types of cells performing distinct biological functions. In 1951, Ian Sussex reported that when an incipient leaf primordium was surgically isolated by an incision across the vegetative shoot apical meristem (SAM), a radialized structure without an adaxial domain would form. This led to the proposal that a signal, now called the Sussex signal, is transported from the SAM to emerging primordia to direct leaf adaxial-abaxial patterning. It was recently proposed that instead of the Sussex signal, polar transport of the plant hormone auxin is critical in leaf polarity formation. However, how auxin polar transport functions in the process is unknown. Through live imaging, we established a profile of auxin polar transport in and around young leaf primordia. Here we show that auxin polar transport in lateral regions of an incipient primordium forms auxin convergence points. We demonstrated that blocking auxin polar transport in the lateral regions of the incipient primordium by incisions abolished the auxin convergence points and caused abaxialized leaves to form. The lateral incisions also blocked the formation of leaf middle domain and margins and disrupted expression of the middle domain/margin-associated marker gene WUSCHEL-RELATED HOMEOBOX 1 (SlWOX1). Based on these results we propose that the auxin convergence points are required for the formation of leaf middle domain and margins, and the functional middle domain and margins ensure leaf adaxial-abaxial polarity. How middle domain and margins function in the process is discussed. © 2017 The Authors The Plant Journal © 2017 John Wiley & Sons Ltd.

Actin-interacting protein 1 controls assembly and permeability of intestinal epithelial apical junctions

PubMed Central

Baranwal, Somesh

2015-01-01

Adherens junctions (AJs) and tight junctions (TJs) are crucial regulators of the integrity and restitution of the intestinal epithelial barrier. The structure and function of epithelial junctions depend on their association with the cortical actin cytoskeleton that, in polarized epithelial cells, is represented by a prominent perijunctional actomyosin belt. The assembly and stability of the perijunctional cytoskeleton is controlled by constant turnover (disassembly and reassembly) of actin filaments. Actin-interacting protein (Aip) 1 is an emerging regulator of the actin cytoskeleton, playing a critical role in filament disassembly. In this study, we examined the roles of Aip1 in regulating the structure and remodeling of AJs and TJs in human intestinal epithelium. Aip1 was enriched at apical junctions in polarized human intestinal epithelial cells and normal mouse colonic mucosa. Knockdown of Aip1 by RNA interference increased the paracellular permeability of epithelial cell monolayers, decreased recruitment of AJ/TJ proteins to steady-state intercellular contacts, and attenuated junctional reassembly in a calcium-switch model. The observed defects of AJ/TJ structure and functions were accompanied by abnormal organization and dynamics of the perijunctional F-actin cytoskeleton. Moreover, loss of Aip1 impaired the apico-basal polarity of intestinal epithelial cell monolayers and inhibited formation of polarized epithelial cysts in 3-D Matrigel. Our findings demonstrate a previously unanticipated role of Aip1 in regulating the structure and remodeling of intestinal epithelial junctions and early steps of epithelial morphogenesis. PMID:25792565

Actin-interacting protein 1 controls assembly and permeability of intestinal epithelial apical junctions.

PubMed

Lechuga, Susana; Baranwal, Somesh; Ivanov, Andrei I

2015-05-01

Adherens junctions (AJs) and tight junctions (TJs) are crucial regulators of the integrity and restitution of the intestinal epithelial barrier. The structure and function of epithelial junctions depend on their association with the cortical actin cytoskeleton that, in polarized epithelial cells, is represented by a prominent perijunctional actomyosin belt. The assembly and stability of the perijunctional cytoskeleton is controlled by constant turnover (disassembly and reassembly) of actin filaments. Actin-interacting protein (Aip) 1 is an emerging regulator of the actin cytoskeleton, playing a critical role in filament disassembly. In this study, we examined the roles of Aip1 in regulating the structure and remodeling of AJs and TJs in human intestinal epithelium. Aip1 was enriched at apical junctions in polarized human intestinal epithelial cells and normal mouse colonic mucosa. Knockdown of Aip1 by RNA interference increased the paracellular permeability of epithelial cell monolayers, decreased recruitment of AJ/TJ proteins to steady-state intercellular contacts, and attenuated junctional reassembly in a calcium-switch model. The observed defects of AJ/TJ structure and functions were accompanied by abnormal organization and dynamics of the perijunctional F-actin cytoskeleton. Moreover, loss of Aip1 impaired the apico-basal polarity of intestinal epithelial cell monolayers and inhibited formation of polarized epithelial cysts in 3-D Matrigel. Our findings demonstrate a previously unanticipated role of Aip1 in regulating the structure and remodeling of intestinal epithelial junctions and early steps of epithelial morphogenesis. Copyright © 2015 the American Physiological Society.

Macrophage polarization alters the expression and sulfation pattern of glycosaminoglycans.

PubMed

Martinez, Pierre; Denys, Agnès; Delos, Maxime; Sikora, Anne-Sophie; Carpentier, Mathieu; Julien, Sylvain; Pestel, Joël; Allain, Fabrice

2015-05-01

Macrophages are major cells of inflammatory process and take part in a large number of physiological and pathological processes. According to tissue environment, they can polarize into pro-inflammatory (M1) or alternative (M2) cells. Although many evidences have hinted to a potential role of cell-surface glycosaminoglycans (GAGs) in the functions of macrophages, the effect of M1 or M2 polarization on the biosynthesis of these polysaccharides has not been investigated so far. GAGs are composed of repeat sulfated disaccharide units. Heparan (HS) and chondroitin/dermatan sulfates (CS/DS) are the major GAGs expressed at the cell membrane. They are involved in numerous biological processes, which rely on their ability to selectively interact with a large panel of proteins. More than 20 genes encoding sulfotransferases have been implicated in HS and CS/DS biosynthesis, and the functional repertoire of HS and CS/DS has been related to the expression of these isoenzymes. In this study, we analyzed the expression of sulfotransferases as a response to macrophage polarization. We found that M1 and M2 activation drastically modified the profiles of expression of numerous HS and CS/DS sulfotransferases. This was accompanied by the expression of GAGs with distinct structural features. We then demonstrated that GAGs of M2 macrophages were efficient to present fibroblast growth factor-2 in an assay of tumor cell proliferation, thus indicating that changes in GAG structure may contribute to the functions of polarized macrophages. Altogether, our findings suggest a regulatory mechanism in which fine modifications in GAG biosynthesis may participate to the plasticity of macrophage functions. © The Author 2014. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Wavelength- or Polarization-Selective Thermal Infrared Detectors for Multi-Color or Polarimetric Imaging Using Plasmonics and Metamaterials

PubMed Central

Ogawa, Shinpei; Kimata, Masafumi

2017-01-01

Wavelength- or polarization-selective thermal infrared (IR) detectors are promising for various novel applications such as fire detection, gas analysis, multi-color imaging, multi-channel detectors, recognition of artificial objects in a natural environment, and facial recognition. However, these functions require additional filters or polarizers, which leads to high cost and technical difficulties related to integration of many different pixels in an array format. Plasmonic metamaterial absorbers (PMAs) can impart wavelength or polarization selectivity to conventional thermal IR detectors simply by controlling the surface geometry of the absorbers to produce surface plasmon resonances at designed wavelengths or polarizations. This enables integration of many different pixels in an array format without any filters or polarizers. We review our recent advances in wavelength- and polarization-selective thermal IR sensors using PMAs for multi-color or polarimetric imaging. The absorption mechanism defined by the surface structures is discussed for three types of PMAs—periodic crystals, metal-insulator-metal and mushroom-type PMAs—to demonstrate appropriate applications. Our wavelength- or polarization-selective uncooled IR sensors using various PMAs and multi-color image sensors are then described. Finally, high-performance mushroom-type PMAs are investigated. These advanced functional thermal IR detectors with wavelength or polarization selectivity will provide great benefits for a wide range of applications. PMID:28772855

Wavelength- or Polarization-Selective Thermal Infrared Detectors for Multi-Color or Polarimetric Imaging Using Plasmonics and Metamaterials.

PubMed

Ogawa, Shinpei; Kimata, Masafumi

2017-05-04

Wavelength- or polarization-selective thermal infrared (IR) detectors are promising for various novel applications such as fire detection, gas analysis, multi-color imaging, multi-channel detectors, recognition of artificial objects in a natural environment, and facial recognition. However, these functions require additional filters or polarizers, which leads to high cost and technical difficulties related to integration of many different pixels in an array format. Plasmonic metamaterial absorbers (PMAs) can impart wavelength or polarization selectivity to conventional thermal IR detectors simply by controlling the surface geometry of the absorbers to produce surface plasmon resonances at designed wavelengths or polarizations. This enables integration of many different pixels in an array format without any filters or polarizers. We review our recent advances in wavelength- and polarization-selective thermal IR sensors using PMAs for multi-color or polarimetric imaging. The absorption mechanism defined by the surface structures is discussed for three types of PMAs-periodic crystals, metal-insulator-metal and mushroom-type PMAs-to demonstrate appropriate applications. Our wavelength- or polarization-selective uncooled IR sensors using various PMAs and multi-color image sensors are then described. Finally, high-performance mushroom-type PMAs are investigated. These advanced functional thermal IR detectors with wavelength or polarization selectivity will provide great benefits for a wide range of applications.

Investigation of polarization-selective InGaAs sensor with elliptical two-dimensional holes array structure

NASA Astrophysics Data System (ADS)

Wang, Wenbo; Fu, Dong; Hu, Xiaobin; Xu, Yun; Song, Guofeng; Wei, Xin

2016-10-01

Polarimetric imaging in infrared wavelengths have attracted more and more attention for broad applications in meteorological observations, medicine, remote sensing and many other fields. Metal metamaterial structures are used in nanophotonics in order to localize and enhance the incident electromagnetic field. Here we develop an elliptical gold Two-Dimensional Holes Array (2DHA) in which photons can be manipulated by surface plasmon resonance, and the ellipse introduce the asymmetry to realize a polarization selective function. Strong polarization dependence is observed in the simulated transmission spectra. To further understand the coupling mechanism between gold holes array and InP, the different parameters of the 2DHA are analyzed. It is shown that the polarization axis is perpendicular to the major axis of the ellipse, and the degree of polarization is determined by the aspect ratio of the ellipse. Furthermore, the resonance frequency of the 2DHA shows a linear dependence on the array period, the bandwidth of transmission spectra closely related to duty cycle of the ellipse in each period. This result will establish a basis for the development of innovative polarization selective infrared sensor.

Spin polarization of {sup 87}Rb atoms with ultranarrow linewidth diode laser: Numerical simulation

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

Wang, Z. G.; Interdisciplinary Center of Quantum Information, National University of Defense Technology, Changsha, 410073; College of Science, National University of Defense Technology, Changsha, 410073

2016-08-15

In order to polarize {sup 87}Rb vapor effectively with ultranarrow linewidth diode laser, we studied the polarization as a function of some parameters including buffer gas pressure and laser power. Moreover, we also discussed the methods which split or modulate the diode laser frequency so as to pump the two ground hyperfine levels efficiently. We obtained some useful results through numerical simulation. If the buffer gas pressure is so high that the hyperfine structure is unresolved, the polarization is insensitive to laser frequency at peak absorption point so frequency splitting and frequency modulation methods do not show improvement. At lowmore » pressure and laser power large enough, where the hyperfine structure is clearly resolved, frequency splitting and frequency modulation methods can increase polarization effectively. For laser diodes, frequency modulation is easily realized with current modulation, so this method is attractive since it does not add any other components in the pumping laser system.« less

GAPS IN PROTOPLANETARY DISKS AS SIGNATURES OF PLANETS. III. POLARIZATION

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

Jang-Condell, Hannah

2017-01-20

Polarimetric observations of T Tauri and Herbig Ae/Be stars are a powerful way to image protoplanetary disks. However, interpretation of these images is difficult because the degree of polarization is highly sensitive to the angle of scattering of stellar light off the disk surface. We examine how disks with and without gaps created by planets appear in scattered polarized light as a function of inclination angle. Isophotes of inclined disks without gaps are distorted in polarized light, giving the appearance that the disks are more eccentric or more highly inclined than they truly are. Apparent gap locations are unaffected bymore » polarization, but the gap contrast changes. In face-on disks with gaps, we find that the brightened far edge of the gap scatters less polarized light than the rest of the disk, resulting in slightly decreased contrast between the gap trough and the brightened far edge. In inclined disks, gaps can take on the appearance of being localized “holes” in brightness rather than full axisymmetric structures. Photocenter offsets along the minor axis of the disk in both total intensity and polarized intensity images can be readily explained by the finite thickness of the disk. Alone, polarized scattered light images of disks do not necessarily reveal intrinsic disk structure. However, when combined with total intensity images, the orientation of the disk can be deduced and much can be learned about disk structure and dust properties.« less

Dirac electron in a chiral space-time crystal created by counterpropagating circularly polarized plane electromagnetic waves

NASA Astrophysics Data System (ADS)

Borzdov, G. N.

2017-10-01

The family of solutions to the Dirac equation for an electron moving in an electromagnetic lattice with the chiral structure created by counterpropagating circularly polarized plane electromagnetic waves is obtained. At any nonzero quasimomentum, the dispersion equation has two solutions which specify bispinor wave functions describing electron states with different energies and mean values of momentum and spin operators. The inversion of the quasimomentum results in two other linearly independent solutions. These four basic wave functions are uniquely defined by eight complex scalar functions (structural functions), which serve as convenient building blocks of the relations describing the electron properties. These properties are illustrated in graphical form over a wide range of quasimomenta. The superpositions of two basic wave functions describing different spin states and corresponding to (i) the same quasimomentum (unidirectional electron states with the spin precession) and (ii) the two equal-in-magnitude but oppositely directed quasimomenta (bidirectional electron states) are also treated.

The spin structure of the deuteron

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

Frois, B.

1994-12-01

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

A Circular Polarizer with Beamforming Feature Based on Frequency Selective Surfaces

NASA Astrophysics Data System (ADS)

Yin, Jia Yuan; Wan, Xiang; Ren, Jian; Cui, Tie Jun

2017-01-01

We propose a circular polarizer with beamforming features based on frequency selective surface (FSS), in which a modified anchor-shaped unit cell is used to reach the circular polarizer function. The beamforming characteristic is realized by a particular design of the unit-phase distribution, which is obtained by varying the scale of the unit cell. Instead of using plane waves, a horn antenna is designed to feed the phase-variant FSS. The proposed two-layer FSS is fabricated and measured to verify the design. The measured results show that the proposed structure can convert the linearly polarized waves to circularly polarized waves. Compared with the feeding horn antenna, the transmitted beam of the FSS-added horn is 14.43° broader in one direction, while 3.77° narrower in the orthogonal direction. To our best knowledge, this is the first time to realize circular polarizer with beamforming as the extra function based on FSS, which is promising in satellite and communication systems for potential applications due to its simple design and good performance.

Polarization effects on quantum levels in InN/GaN quantum wells.

PubMed

Lin, Wei; Li, Shuping; Kang, Junyong

2009-12-02

Polarization effects on quantum states in InN/GaN quantum wells have been investigated by means of ab initio calculation and spectroscopic ellipsometry. Through the position-dependent partial densities of states, our results show that the polarization modified by the strain with different well thickness leads to an asymmetry band bending of the quantum well. The quantum levels are identified via the band structures and their square wave function distributions are analyzed by the partial charge densities. Further theoretical and experimental comparison of the imaginary part of the dielectric function show that the overall transition probability increases under larger polarization fields, which can be attributable to the fact that the excited quantum states of 2h have a greater overlap with 1e states and enhance other hole quantum states in the well by a hybridization. These results would provide a new approach to improve the transition probability and light emission by enhancing the polarization fields in a proper way.

Dlg5 maintains apical polarity by promoting membrane localization of Crumbs during Drosophila oogenesis

PubMed Central

Luo, Jun; Wang, Heng; Kang, Di; Guo, Xuan; Wan, Ping; Wang, Dou; Chen, Jiong

2016-01-01

Apical-basal polarity plays critical roles in the functions of epithelial tissues. However, the mechanisms of epithelial polarity establishment and maintenance remain to be fully elucidated. Here we show that the membrane-associated guanylate kinase (MAGUK) family protein Dlg5 is required for the maintenance of apical polarity of follicle epithelium during Drosophila oogenesis. Dlg5 localizes at the apical membrane and adherens junction (AJ) of follicle epithelium in early stage egg chambers. Specifically, we demonstrate that the major function of Dlg5 is to promote apical membrane localization of Crumbs, since overexpression of Crumbs but not other major apical or AJ components could rescue epithelial polarity defects resulted from loss of Dlg5. Furthermore, we performed a structure-function analysis of Dlg5 and found that the C-terminal PDZ3 and PDZ4 domains are required for all Dlg5’s functions as well as its ability to localize to apical membrane. The N-terminal coiled-coil motif could be individually targeted to the apical membrane, while the central linker region could be targeted to AJ. Lastly, the MAGUK core domains of PDZ4-SH3-GUK could be individually targeted to apical, AJ and basolateral membranes. PMID:27211898

Measurement of the polarized structure function σL T' for p ( e→ , e' π+ ) n in the Δ ( 1232 ) resonance region

NASA Astrophysics Data System (ADS)

Joo, K.; Smith, L. C.; Aznauryan, I. G.; Burkert, V. D.; Minehart, R.; Adams, G.; Ambrozewicz, P.; Anciant, E.; Anghinolfi, M.; Asavapibhop, B.; Asryan, G.; Audit, G.; Auger, T.; Avakian, H.; Bagdasaryan, H.; Ball, J. P.; Barrow, S.; Batourine, V.; Battaglieri, M.; Beard, K.; Bektasoglu, M.; Benmouna, N.; Bianchi, N.; Biselli, A. S.; Boiarinov, S.; Bonner, B. E.; Bouchigny, S.; Bradford, R.; Branford, D.; Briscoe, W. J.; Brooks, W. K.; Bültmann, S.; Butuceanu, C.; Calarco, J. R.; Carman, D. S.; Carnahan, B.; Cetina, C.; Chen, S.; Ciciani, L.; Cole, P. L.; Cords, D.; Corvisiero, P.; Crabb, D.; Crannell, H.; Cummings, J. P.; de Sanctis, E.; Devita, R.; Degtyarenko, P. V.; Dennis, L.; Deur, A.; Dharmawardane, K. V.; Dhuga, K. S.; Djalali, C.; Dodge, G. E.; Doughty, D.; Dragovitsch, P.; Dugger, M.; Dytman, S.; Dzyubak, O. P.; Egiyan, H.; Egiyan, K. S.; Elouadrhiri, L.; Empl, A.; Eugenio, P.; Fersch, R.; Feuerbach, R. J.; Forest, T. A.; Funsten, H.; Gaff, S. J.; Garçon, M.; Gavalian, G.; Gilad, S.; Gilfoyle, G. P.; Giovanetti, K. L.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guillo, M.; Guler, N.; Guo, L.; Gyurjyan, V.; Hadjidakis, C.; Hakobyan, R. S.; Hardie, J.; Heddle, D.; Hersman, F. W.; Hicks, K.; Hleiqawi, I.; Holtrop, M.; Hu, J.; Hyde-Wright, C. E.; Ilieva, Y.; Ireland, D.; Ito, M. M.; Jenkins, D.; Juengst, H. G.; Kellie, J. D.; Kelley, J. H.; Khandaker, M.; Kim, K. Y.; Kim, K.; Kim, W.; Klein, A.; Klein, F. J.; Klimenko, A. V.; Klusman, M.; Kossov, M.; Koubarovski, V.; Kramer, L. H.; Kuhn, S. E.; Kuhn, J.; Lachniet, J.; Laget, J. M.; Langheinrich, J.; Lawrence, D.; Lee, T.; Livingston, K.; Lukashin, K.; Manak, J. J.; Marchand, C.; McAleer, S.; McNabb, J. W.; Mecking, B. A.; Mestayer, M. D.; Meyer, C. A.; Mikhailov, K.; Mirazita, M.; Miskimen, R.; Mokeev, V.; Morand, L.; Morrow, S. A.; Muccifora, V.; Mueller, J.; Mutchler, G. S.; Napolitano, J.; Nasseripour, R.; Nelson, S. O.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Niczyporuk, B. B.; Niyazov, R. A.; Nozar, M.; O'Rielly, G. V.; Osipenko, M.; Ostrovidov, A. I.; Park, K.; Pasyuk, E.; Peterson, G.; Philips, S. A.; Pivnyuk, N.; Pocanic, D.; Pogorelko, O.; Polli, E.; Pozdniakov, S.; Preedom, B. M.; Price, J. W.; Prok, Y.; Protopopescu, D.; Qin, L. M.; Raue, B. A.; Riccardi, G.; Ricco, G.; Ripani, M.; Ritchie, B. G.; Ronchetti, F.; Rosner, G.; Rossi, P.; Rowntree, D.; Rubin, P. D.; Sabatié, F.; Sabourov, K.; Salgado, C.; Santoro, J. P.; Sapunenko, V.; Schumacher, R. A.; Serov, V. S.; Sharabian, Y. G.; Shaw, J.; Simionatto, S.; Skabelin, A. V.; Smith, E. S.; Sober, D. I.; Spraker, M.; Stavinsky, A.; Stepanyan, S.; Stepanyan, S. S.; Stokes, B. E.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Taiuti, M.; Taylor, S.; Tedeschi, D. J.; Thoma, U.; Thompson, R.; Tkabladze, A.; Todor, L.; Tur, C.; Ungaro, M.; Vineyard, M. F.; Vlassov, A. V.; Wang, K.; Weinstein, L. B.; Weller, H.; Weygand, D. P.; Williams, M.; Wolin, E.; Wood, M. H.; Yegneswaran, A.; Yun, J.; Zana, L.

2004-10-01

The polarized longitudinal-transverse structure function σL T' has been measured using the p ( e→ , e' π+ ) n reaction in the Δ ( 1232 ) resonance region at Q2 =0.40 and 0.65 GeV2 . No previous σL T' data exist for this reaction channel. The kinematically complete experiment was performed at the Jefferson Lab with the CEBAF large acceptance spectrometer using longitudinally polarized electrons at an energy of 1.515 GeV . A partial-wave analysis of the data shows generally better agreement with recent phenomenological models of pion electroproduction compared to the previously measured π0 p channel. A fit to both π0 p and π+ n channels using a unitary isobar model suggests the unitarized Born terms provide a consistent description of the nonresonant background. The t -channel pion pole term is important in the π0 p channel through a rescattering correction, which could be model dependent.

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

Kim, A.; Avakian, H.; Burkert, V.

The target and double spin asymmetries of the exclusive pseudoscalar channel e→p→→epπ0 were measured for the first time in the deep-inelastic regime using a longitudinally polarized 5.9 GeV electron beam and a longitudinally polarized proton target at Jefferson Lab with the CEBAF Large Acceptance Spectrometer (CLAS). The data were collected over a large kinematic phase space and divided into 110 four-dimensional bins of Q2, xB, -t and Φ. Large values of asymmetry moments clearly indicate a substantial contribution to the polarized structure functions from transverse virtual photon amplitudes. The interpretation of experimental data in terms of generalized parton distributions (GPDs)more » provides the first insight on the chiral-odd GPDs H˜T and ET, and complement previous measurements of unpolarized structure functions sensitive to the GPDs HT and E¯T. These data provide a crucial input for parametrizations of essentially unknown chiral-odd GPDs and will strongly influence existing theoretical calculations based on the handbag formalism.« less

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

Kim, A.; Avakian, H.; Burkert, V.

The target and double spin asymmetries of the exclusive pseudoscalar channelmore » $$\\vec e\\vec p\\to ep\\pi^0$$ were measured for the first time in the deep-inelastic regime using a longitudinally polarized 5.9 GeV electron beam and a longitudinally polarized proton target at Jefferson Lab with the CEBAF Large Acceptance Spectrometer (CLAS). The data were collected over a large kinematic phase space and divided into 110 four-dimensional bins of $Q^2$, $$x_B$$, $-t$ and $$\\phi$$. Large values of asymmetry moments clearly indicate a substantial contribution to the polarized structure functions from transverse virtual photon amplitudes. The interpretation of experimental data in terms of generalized parton distributions (GPDs) provides the first insight on the chiral-odd GPDs $$\\tilde{H}_T$$ and $$E_T$$, and complement previous measurements of unpolarized structure functions sensitive to the GPDs $$H_T$$ and $$\\bar E_T$$. Finally, these data provide necessary constraints for chiral-odd GPD parametrizations and will strongly influence existing theoretical handbag models.« less

Polarized deep inelastic scattering off the neutron from gauge/string duality

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

Gao Jianhua; Mou Zonggang; Department of Physics, Shandong University, Jinan, Shandong, 250100

2010-05-01

We investigate deep inelastic scattering off the polarized 'neutron' using gauge/string duality. The 'neutron' corresponds to a supergravity mode of the neutral dilatino. Through introducing the Pauli interaction term into the action in AdS{sub 5} space, we calculate the polarized deep inelastic structure functions of the 'neutron' in supergravity approximation at large t' Hooft coupling {lambda} and finite x with {lambda}{sup -1/2}<

Bifocal Fresnel Lens Based on the Polarization-Sensitive Metasurface

NASA Astrophysics Data System (ADS)

Markovich, Hen; Filonov, Dmitrii; Shishkin, Ivan; Ginzburg, Pavel

2018-05-01

Thin structured surfaces allow flexible control over propagation of electromagnetic waves. Focusing and polarization state analysis are among functions, required for effective manipulation of radiation. Here a polarization sensitive Fresnel zone plate lens is proposed and experimentally demonstrated for GHz spectral range. Two spatially separated focal spots for orthogonal polarizations are obtained by designing metasurface pattern, made of overlapping tightly packed cross and rod shaped antennas with a strong polarization selectivity. Optimized subwavelength pattern allows multiplexing two different lenses with low polarization crosstalk on the same substrate and provides a control over focal spots of the lens only by changing of the polarization state of the incident wave. More than a wavelength separation between the focal spots was demonstrated for a broad spectral range, covering half a decade in frequency. The proposed concept could be straightforwardly extended for THz and visible spectra, where polarization-sensitive elements utilize localized plasmon resonance phenomenon.

Polarization masks: concept and initial assessment

NASA Astrophysics Data System (ADS)

Lam, Michael; Neureuther, Andrew R.

2002-07-01

Polarization from photomasks can be used as a new lever to improve lithographic performance in both binary and phase-shifting masks (PSMs). While PSMs manipulate the phase of light to control the temporal addition of electric field vectors, polarization masks manipulate the vector direction of electric field vectors to control the spatial addition of electric field components. This paper explores the theoretical possibilities of polarization masks, showing that it is possible to use bar structures within openings on the mask itself to polarize incident radiation. Rigorous electromagnetic scattering simulations using TEMPEST and imaging with SPLAT are used to give an initial assessment on the functionality of polarization masks, discussing the polarization quality and throughputs achieved with the masks. Openings between 1/8 and 1/3 of a wavelength provide both a low polarization ratio and good transmission. A final overall throughput of 33% - 40% is achievable, corresponding to a dose hit of 2.5x - 3x.

Common and distinctive localization patterns of Crumbs polarity complex proteins in the mammalian eye.

PubMed

Kim, Jin Young; Song, Ji Yun; Karnam, Santi; Park, Jun Young; Lee, Jamie J H; Kim, Seonhee; Cho, Seo-Hee

2015-01-01

Crumbs polarity complex proteins are essential for cellular and tissue polarity, and for adhesion of epithelial cells. In epithelial tissues deletion of any of three core proteins disrupts localization of the other proteins, indicating structural and functional interdependence among core components. Despite previous studies of function and co-localization that illustrated the properties that these proteins share, it is not known whether an individual component of the complex plays a distinct role in a unique cellular and developmental context. In order to investigate this question, we primarily used confocal imaging to determine the expression and subcellular localization of the core Crumbs polarity complex proteins during ocular development. Here we show that in developing ocular tissues core Crumbs polarity complex proteins, Crb, Pals1 and Patj, generally appear in an overlapping pattern with some exceptions. All three core complex proteins localize to the apical junction of the retinal and lens epithelia. Pals1 is also localized in the Golgi of the retinal cells and Patj localizes to the nuclei of the apically located subset of progenitor cells. These findings suggest that core Crumbs polarity complex proteins exert common and independent functions depending on cellular context. Copyright © 2015 Elsevier B.V. All rights reserved.

Insect Responses to Linearly Polarized Reflections: Orphan Behaviors Without Neural Circuits

PubMed Central

Heinloth, Tanja; Uhlhorn, Juliane; Wernet, Mathias F.

2018-01-01

The e-vector orientation of linearly polarized light represents an important visual stimulus for many insects. Especially the detection of polarized skylight by many navigating insect species is known to improve their orientation skills. While great progress has been made towards describing both the anatomy and function of neural circuit elements mediating behaviors related to navigation, relatively little is known about how insects perceive non-celestial polarized light stimuli, like reflections off water, leaves, or shiny body surfaces. Work on different species suggests that these behaviors are not mediated by the “Dorsal Rim Area” (DRA), a specialized region in the dorsal periphery of the adult compound eye, where ommatidia contain highly polarization-sensitive photoreceptor cells whose receptive fields point towards the sky. So far, only few cases of polarization-sensitive photoreceptors have been described in the ventral periphery of the insect retina. Furthermore, both the structure and function of those neural circuits connecting to these photoreceptor inputs remain largely uncharacterized. Here we review the known data on non-celestial polarization vision from different insect species (dragonflies, butterflies, beetles, bugs and flies) and present three well-characterized examples for functionally specialized non-DRA detectors from different insects that seem perfectly suited for mediating such behaviors. Finally, using recent advances from circuit dissection in Drosophila melanogaster, we discuss what types of potential candidate neurons could be involved in forming the underlying neural circuitry mediating non-celestial polarization vision. PMID:29615868

Quasi 2D electronic states with high spin-polarization in centrosymmetric MoS2 bulk crystals

NASA Astrophysics Data System (ADS)

Gehlmann, Mathias; Aguilera, Irene; Bihlmayer, Gustav; Młyńczak, Ewa; Eschbach, Markus; Döring, Sven; Gospodarič, Pika; Cramm, Stefan; Kardynał, Beata; Plucinski, Lukasz; Blügel, Stefan; Schneider, Claus M.

2016-06-01

Time reversal dictates that nonmagnetic, centrosymmetric crystals cannot be spin-polarized as a whole. However, it has been recently shown that the electronic structure in these crystals can in fact show regions of high spin-polarization, as long as it is probed locally in real and in reciprocal space. In this article we present the first observation of this type of compensated polarization in MoS2 bulk crystals. Using spin- and angle-resolved photoemission spectroscopy (ARPES), we directly observed a spin-polarization of more than 65% for distinct valleys in the electronic band structure. By additionally evaluating the probing depth of our method, we find that these valence band states at the point in the Brillouin zone are close to fully polarized for the individual atomic trilayers of MoS2, which is confirmed by our density functional theory calculations. Furthermore, we show that this spin-layer locking leads to the observation of highly spin-polarized bands in ARPES since these states are almost completely confined within two dimensions. Our findings prove that these highly desired properties of MoS2 can be accessed without thinning it down to the monolayer limit.

Optical image encryption method based on incoherent imaging and polarized light encoding

NASA Astrophysics Data System (ADS)

Wang, Q.; Xiong, D.; Alfalou, A.; Brosseau, C.

2018-05-01

We propose an incoherent encoding system for image encryption based on a polarized encoding method combined with an incoherent imaging. Incoherent imaging is the core component of this proposal, in which the incoherent point-spread function (PSF) of the imaging system serves as the main key to encode the input intensity distribution thanks to a convolution operation. An array of retarders and polarizers is placed on the input plane of the imaging structure to encrypt the polarized state of light based on Mueller polarization calculus. The proposal makes full use of randomness of polarization parameters and incoherent PSF so that a multidimensional key space is generated to deal with illegal attacks. Mueller polarization calculus and incoherent illumination of imaging structure ensure that only intensity information is manipulated. Another key advantage is that complicated processing and recording related to a complex-valued signal are avoided. The encoded information is just an intensity distribution, which is advantageous for data storage and transition because information expansion accompanying conventional encryption methods is also avoided. The decryption procedure can be performed digitally or using optoelectronic devices. Numerical simulation tests demonstrate the validity of the proposed scheme.

Simulations of centriole of polarized centrosome as a monopole antenna in immune and viral synapses.

PubMed

Dvorak, Josef; Melichar, Bohuslav; Filipova, Alzbeta; Grimova, Jana; Grimova, Nela; Rozsypalova, Aneta; Buka, David; Voboril, Rene; Zapletal, Radek; Buchler, Tomas; Richter, Igor; Buka, David

2018-01-01

The immune synapse (IS) is a temporary interface between an antigen-presenting cell and an effector lymphocyte. Viral synapse is a molecularly organized cellular junction that is structurally similar to the IS. Primary cilium is considered as a functional homologue of the IS due to the morphological and functional similarities in architecture between both micotubule structures. It has been hypothesized that endogenous electromagnetic field in the cell is generated by a unique cooperating system between mitochondria and microtubules. We are extending this prior hypothesis of the endogenous electromagnetic field in the cell postulating that polarized centriole in immune and viral synapse could serve as a monopole antenna. This is an addition to our hypothesis that primary cilium could serve as a monopole antenna. We simulated the distribution of electric field of centriole of polarized centrosome as a monopole antenna in immune and viral synapse. Very weak electromagnetic field of polarized centriole of CD8+ T lymphocyte in IS can contribute to the transport of cytolytic granules into the attacked (cancer) cell. Analogically, very weak electromagnetic field of polarized centriole in viral synapse of infected CD4 cells can aid the transport of viruses (human immunodeficiency virus) to non-infected CD4 cells. We hypothesized that healthy organisms need these monopole antennas. If, during the neoplastic transformation, healthy cells lose monopole antennas in form of primary cilia, the IS aims to replace them by monopole antennas of polarized centrioles in IS to restore homeostasis.

Effect of solvent quality on aggregate structures of common surfactants.

PubMed

Hollamby, Martin J; Tabor, Rico; Mutch, Kevin J; Trickett, Kieran; Eastoe, Julian; Heenan, Richard K; Grillo, Isabelle

2008-11-04

Aggregate structures of two model surfactants, AOT and C12E5 are studied in pure solvents D2O, dioxane-d8 (d-diox) and cyclohexane-d12 (C6D12) as well as in formulated D2O/d-diox and d-diox/C6D12 mixtures. As such these solvents and mixtures span a wide and continuous range of polarities. Small-angle neutron scattering (SANS) has been employed to follow an evolution of the preferred aggregate curvature, from normal micelles in high polarity solvents, through to reversed micelles in low polarity media. SANS has also been used to elucidate the micellar size, shape as well as to highlight intermicellar interactions. The results shed new light on the nature of aggregation structures in intermediate polarity solvents, and point to a region of solvent quality (as characterized by Hildebrand Solubility Parameter, Snyder polarity parameter or dielectric constant) in which aggregation is not favored. Finally these observed trends in aggregation as a function of solvent quality are successfully used to predict the self-assembly behavior of C12E5 in a different solvent, hexane-d14 (C6D14).

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

Kim, Jae Wook; Artyukhin, Sergei; Mun, Eun Deok

In this paper, we report the discovery of a metamagnetic phase transition in a polar antiferromagnet Ni 3TeO 6 that occurs at 52 T. The new phase transition accompanies a colossal magnetoelectric effect, with a magnetic-field-induced polarization change of 0.3 μC/cm 2, a value that is 4 times larger than for the spin-flop transition at 9 T in the same material, and also comparable to the largest magnetically induced polarization changes observed to date. Via density-functional calculations we construct a full microscopic model that describes the data. We model the spin structures in all fields and clarify the physics behindmore » the 52 T transition. The high-field transition involves a competition between multiple different exchange interactions which drives the polarization change through the exchange-striction mechanism. Finally, the resultant spin structure is rather counterintuitive and complex, thus providing new insights on design principles for materials with strong magnetoelectric coupling.« less

Spatiotemporal polarization modulation microscopy with a microretarder array

NASA Astrophysics Data System (ADS)

Ding, Changqin; Ulcickas, James R. W.; Simpson, Garth J.

2018-02-01

A patterned microretarder array positioned in the rear conjugate plane of a microscope enables rapid polarizationdependent nonlinear optical microscopy. The pattern introduced to the array results in periodic modulation of the polarization-state of the incident light as a function of position within the field of view with no moving parts or active control. Introduction of a single stationary optical element and a fixed polarizer into the beam of a nonlinear optical microscope enabled nonlinear optical tensor recovery, which informs on local structure and orientation. Excellent agreement was observed between the measured and predicted second harmonic generation (SHG) of z-cut quartz, selected as a test system with well-established nonlinear optical properties. Subsequent studies of spatially varying samples further support the general applicability of this relatively simple strategy for detailed polarization analysis in both conventional and nonlinear optical imaging of structurally diverse samples.

Chirality-induced polarization effects in the cuticle of scarab beetles: 100 years after Michelson

NASA Astrophysics Data System (ADS)

Arwin, Hans; Magnusson, Roger; Landin, Jan; Järrendahl, Kenneth

2012-04-01

One hundred years ago Michelson discovered circular polarization in reflection from beetles. Today a novel Mueller-matrix ellipsometry setup allows unprecedented detailed characterization of the beetles' polarization properties. A formalism based on elliptical polarization for description of reflection from scarab beetles is here proposed and examples are given on four beetles of different character: Coptomia laevis - a simple dielectric mirror; Cetonia aurata - a left-hand narrow-band elliptical polarizer; Anoplognathus aureus - a broad-band elliptical polarizer; and Chrysina argenteola - a left-hand polarizer for visible light at small angles, whereas for larger angles, red reflected light is right-handed polarized. We confirm the conclusion of previous studies which showed that a detailed quantification of ellipticity and degree of polarization of cuticle reflection can be performed instead of only determining whether reflections are circularly polarized or not. We additionally investigate reflection as a function of incidence angle. This provides much richer information for understanding the behaviour of beetles and for structural analysis.

First-principles calculation of the polarization-dependent force driving the Eg mode in bismuth under optical excitation.

NASA Astrophysics Data System (ADS)

Murray, Eamonn; Fahy, Stephen

2014-03-01

Using first principles electronic structure methods, we calculate the induced force on the Eg (zone centre transverse optical) phonon mode in bismuth immediately after absorption of polarized light. When radiation with polarization perpendicular to the c-axis is absorbed in bismuth, the distribution of excited electrons and holes breaks the three-fold rotational symmetry and leads to a net force on the atoms in the direction perpendicular to the axis. We calculate the initial excited electronic distribution as a function of photon energy and polarization and find the resulting transverse and longitudinal forces experienced by the atoms. Using the measured, temperature-dependent rate of decay of the transverse force[2], we predict the approximate amplitude of induced atomic motion in the Eg mode as a function of temperature and optical fluence. This work is supported by Science Foundation Ireland and a Marie Curie International Incoming Fellowship.

Coherent light depolarization by multiple scattering media and tissues: some fundamentals and applications

NASA Astrophysics Data System (ADS)

Zimnyakov, Dmitry A.; Tuchin, Valery V.; Yodh, Arjun G.; Mishin, Alexey A.; Peretochkin, Igor S.

1998-04-01

Relationships between decorrelation and depolarization of coherent light scattered by disordered media are examined by using the conception of the photon paths distribution functions. Analysis of behavior of the autocorrelation functions of the scattered field fluctuations and their polarization properties allows us to introduce generalized parameter of scattering media such as specific correlation time. Determination of specific correlation time has been carried out for phantom scattering media (water suspensions of polystyrene spheres). Results of statistical, correlation and polarization analysis of static and dynamic speckle patterns carried out in the experiments with human sclera with artificially controlled optical transmittance are presented. Some possibilities of applications of such polarization- correlation technique for monitoring and visualization of non- single scattering tissue structures are discussed.

Detectors for polarized skylight in insects: a survey of ommatidial specializations in the dorsal rim area of the compound eye.

PubMed

Labhart, T; Meyer, E P

1999-12-15

Apart from the sun, the polarization pattern of the sky offers insects a reference for visual compass orientation. Using behavioral experiments, it has been shown in a few insect species (field crickets, honey bees, desert ants, and house flies) that the detection of the oscillation plane of polarized skylight is mediated exclusively by a group of specialized ommatidia situated at the dorsal rim of the compound eye (dorsal rim area). The dorsal rim ommatidia of these species share a number physiological properties that make them especially suitable for polarization vision: each ommatidium contains two sets of homochromatic, strongly polarization-sensitive photoreceptors with orthogonally-arranged analyzer orientations. The physiological specialization of the dorsal rim area goes along with characteristic changes in ommatidial structure, providing actual anatomical hallmarks of polarized skylight detection, that are readily detectable in histological sections of compound eyes. The presence of anatomically specialized dorsal rim ommatidia in many other insect species belonging to a wide range of different orders indicates that polarized skylight detection is a common visual function in insects. However, fine-structural disparities in the design of dorsal rim ommatidia of different insect groups indicate that polarization vision arose polyphyletically in the insects. Copyright 1999 Wiley-Liss, Inc.

Density functional theory determination of structural and electronic properties of struvite.

PubMed

Romanowski, Zbigniew; Kempisty, Paweł; Prywer, Jolanta; Krukowski, Stanisław; Torzewska, Agnieszka

2010-07-29

Crystallographic structure, total energy, electronic structure, and the most important elastic properties of struvite, NH(4)MgPO(4).6H(2)O, the main component of infectious urinary stones, are presented. The calculations were performed using ab initio full-electron calculations within the density functional theory-generalized gradient approximation (DFT-GGA) framework. The obtained crystallographic symmetry and the calculated lattice parameters and also the elastic constants are in good agreement with the experimental data. The elastic properties are essential for establishing an optimal response of urinary stones during shock-wave lithotripsy. The calculated electronic charge distribution confirms the layered structure of the struvite crystals. The polar character of the crystal, well-known from crystal growth experiments, was also confirmed by the magnitude of spontaneous polarization which was obtained from direct determination of the electrical dipole density. The calculated value of spontaneous polarization is equal to -8.8 microC cm(-2). This feature may play a key role in struvite crystallization, electrically binding the charged active impurities and other active species, and consequently determining urinary stone formation. We also present the results of our own experiment of the mineralization of struvite induced to growth by Proteus bacteria which are mainly isolated from infectious urinary stones.

Theory of a Carbon-Nanotube Polarization Switch

NASA Astrophysics Data System (ADS)

Sasaki, Ken-ichi; Tokura, Yasuhiro

2018-03-01

Recently, it was suggested that the polarization dependence of light absorption to a single-walled carbon nanotube is altered by carrier doping. We specify theoretically the doping level at which the polarization anisotropy is reversed by plasmon excitation. The plasmon energy is mainly determined by the diameter of a nanotube because pseudospin makes the energy independent of the details of the band structure. We find that the effect of doping on the Coulomb interaction appears through the screened exchange energy, which can be observed as changes in the absorption peak positions. Our results strongly suggest the possibility that oriented nanotubes function as a polarization switch.

UV-Vis absorption spectra and electronic structure of merocyanines in the gas phase

NASA Astrophysics Data System (ADS)

Ishchenko, Alexander A.; Kulinich, Andrii V.; Bondarev, Stanislav L.; Raichenok, Tamara F.

2018-02-01

Gas-phase absorption spectra of a merocyanine vinylogous series have been studied for the first time. In vapour, their long-wavelength absorption bands were found to be considerably shifted hypsochromically, broader, more symmetrical, less intense, and their vinylene shift much smaller than even in low-polarity n-hexane. This indicates that in the gas phase their electronic structure closely approaches the nonpolar polyene limiting structure. The TDDFT calculations of the long-wavelength electronic transitions in the studied merocyanines in vacuo demonstrated good-to-excellent correlation - depending on the functional used - with the obtained experimental data. For comparison, the solvent effects was accounted for using the polarizable continuum model (PCM) with n-hexane and ethanol as low-polarity and high-polarity media, and compared with the UV-Vis spectral data in these solvents. In this case, the discrepancy between theory and experiment was much greater, increasing at that with the polymethine chain length.

Tunable inversion symmetry in heterostructures of layered oxides

NASA Astrophysics Data System (ADS)

Rondinelli, James

Traditional approaches to create and control functional electronic materials have focused on new phases in previously unknown bulk minerals. More recently, interlayer physics has spawned interest in known materials in unexplored atomic scale geometries, especially in complex transition metal oxides (TMO), where heterostructures can be created on demand. In this talk, I show that although epitaxial strain routinely induces (enhances) electric polarizations, biaxial strain can also induce an unanticipated polar-to-nonpolar (P-NP) structural transition in (001) thin films of naturally layered An + 1Bn O3n+1 (n = 1 - ∞) oxides. Density functional theory calculations and a complete phenomenological model for Ca3Ti2O7 are used to show that the origin of the P-NP transition originates from the interplay of trilinear-related lattice mode interactions active in the layered oxides, and those interactions are directly strain tunable. Moreover these layered oxides exhibit a quasi-two dimensional phonon mode-an acoustic branch with quadratic dispersion, enabling unusual membrane effects such as tunable negative thermal expansion. I conclude by emphasizing that broken inversion symmetric structures offer a plentiful playground for realizing new functionalities in thin films, including new multiferroics from polar metals.

Chemical Changes in Layered Ferroelectric Semiconductors Induced by Helium Ion Beam

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

Belianinov, Alex; Burch, Matthew J.; Hysmith, Holland E.

Transitioning to multi-material systems as either interfaced 2D materials or 3D heterostructures can lead to the next generation multi-functional device architectures. Combined direct physical and chemical nanoscale control of these systems offers a new way to tailor material and device functionality as functional structures reach their physical limit. Transition metal thiophosphate (TPS), Cu 1-xIn 1+x/3P 2S 6, that have ferroelectric polarization behavior as layered crystals at room temperature and above make them attractive candidates for direct material sculpting of both chemical and functional properties. The bulk material exhibits stable ferroelectric polarization corroborated by domain structures, rewritable polarization, and hysteresis loops.more » Our previous studies have demonstrated that ferroic order persists on the surface and that spinoidal decomposition of ferroelectric and paraelectric phases occurs in non-stoichiometric Cu/In ratio formulations. Here, we elucidate the chemical changes induced through helium ion irradiation in the TPS family library with varying Cu/In ratio formulations using correlated AFM and ToF-SIMS imaging. We correlate nano- and micro- structures that scale, in area and volume, to the total dose of the helium ion beam, as well as the overall copper concentration in the sample. Furthermore, our ToF-SIMS results show that ion irradiation leads to oxygen penetration as a function of Cu concentration, and proceeds along the Cu domains to the stopping distance of the helium ions in the TPS material. These results opens up new opportunities to understand and implement ferroicly coupled van der Waal devices into an existing framework of 2D heterostructures by locally tuning material chemistry and functionality.« less

Chemical Changes in Layered Ferroelectric Semiconductors Induced by Helium Ion Beam

DOE PAGES

Belianinov, Alex; Burch, Matthew J.; Hysmith, Holland E.; ...

2017-11-30

Transitioning to multi-material systems as either interfaced 2D materials or 3D heterostructures can lead to the next generation multi-functional device architectures. Combined direct physical and chemical nanoscale control of these systems offers a new way to tailor material and device functionality as functional structures reach their physical limit. Transition metal thiophosphate (TPS), Cu 1-xIn 1+x/3P 2S 6, that have ferroelectric polarization behavior as layered crystals at room temperature and above make them attractive candidates for direct material sculpting of both chemical and functional properties. The bulk material exhibits stable ferroelectric polarization corroborated by domain structures, rewritable polarization, and hysteresis loops.more » Our previous studies have demonstrated that ferroic order persists on the surface and that spinoidal decomposition of ferroelectric and paraelectric phases occurs in non-stoichiometric Cu/In ratio formulations. Here, we elucidate the chemical changes induced through helium ion irradiation in the TPS family library with varying Cu/In ratio formulations using correlated AFM and ToF-SIMS imaging. We correlate nano- and micro- structures that scale, in area and volume, to the total dose of the helium ion beam, as well as the overall copper concentration in the sample. Furthermore, our ToF-SIMS results show that ion irradiation leads to oxygen penetration as a function of Cu concentration, and proceeds along the Cu domains to the stopping distance of the helium ions in the TPS material. These results opens up new opportunities to understand and implement ferroicly coupled van der Waal devices into an existing framework of 2D heterostructures by locally tuning material chemistry and functionality.« less

Investigation of magnetism in aluminum-doped silicon carbide nanotubes

NASA Astrophysics Data System (ADS)

Behzad, Somayeh; Chegel, Raad

2013-11-01

The effect of aluminum doping on the structural, electronic and magnetic properties of (8,0) silicon carbide nanotube (SiCNT) is investigated using spin-polarized density functional theory. It is found from the calculation of the formation energies that aluminum substitution for silicon atom is preferred. Our results show that the magnetization depends on the substitutional site, aluminum substitution at silicon site does not introduce any spin-polarization, whereas the aluminum substitution for carbon atom yields a spin polarized, almost dispersionless π band within the original band gap.

Polarization Compensation of Fresnel Aberrations in Telescopes

NASA Technical Reports Server (NTRS)

Clark, Natalie; Breckenridge, James B.

2011-01-01

Large aperture space telescopes are built with low F# s to accommodate the mechanical constraints of launch vehicles and to reduce resonance frequencies of the on-orbit system. Inherent with these low F# s is Fresnel polarization which affects image quality. We present the design and modeling of a nano-structure consisting of birefringent layers to control polarization and increase contrast. Analysis shows a device that functions across a 400nm bandwidth tunable from 300nm to 1200nm. This Fresnel compensator device has a cross leakage of less than 0.001 retardance.

Energy dependence of polarization across broad deexcitation gamma-ray line profiles

NASA Astrophysics Data System (ADS)

Werntz, Carl; Lang, F. L.

1998-04-01

The energy profiles of deexcitation gamma-ray lines from recoiling inelastically scattered nuclei exhibit detailed structure. MeV-wide gamma-ray lines from the direction of the Orion nebula have been detected (H. Bloemen, et al., Astr. and Astrophys. L5, 281 (1994).) by COMPTEL whose source is postulated to be cosmic ray carbon and oxygen nuclei shock accelerated near supernova remnants colliding with ambient hydrogen and helium. Even when the heavy ion velocity distributions are isotropic, structure characteristic of the multipolarity of the gamma transition remains (A. M. Bykov et al, Astr. and Astrophys. 607, L37 (1996); B. Kozlovsky et al, Astrophys. J. 484, (1997).). In experiments in which the energy dependent structure of the deexcitation gamma-ray profiles is not resolved, the gammas display a high degree of linear polarization that rapidly changes with gamma-beam angle. We calculate the polarization, both linear and circular, as a function of gamma-ray energy across the laboratory line profiles of C12*(4.44) and O16*(6.13) inelastically excited by protons and alphas. We then investigate the polarization in the surviving structures for isotropic energetic ions colliding with ^1H and ^4He.

Removal of Ca 2+ from the Oxygen-Evolving Complex in Photosystem II Has Minimal Effect on the Mn 4O 5 Core Structure: A Polarized Mn X-ray Absorption Spectroscopy Study

DOE PAGES

Lohmiller, Thomas; Shelby, Megan L.; Long, Xi; ...

2015-05-19

We studied Ca 2+ -depleted and Ca 2+ -reconstituted spinach photosystem II using polarized X-ray absorption spectroscopy of oriented PS II preparations to investigate the structural and functional role of the Ca 2+ ion in the Mn 4O 5Ca cluster of the oxygen-evolving complex (OEC). Samples were prepared by low pH/citrate treatment as one-dimensionally ordered membrane layers and poised in the Ca 2+ -depleted S 1 (S 1') and S 2 (S 2') states, the S 2'Y Z• state, at which point the catalytic cycle of water oxidation is inhibited, and the Ca 2+ -reconstituted S 1 state. Polarized Mnmore » K-edge XANES and EXAFS spectra exhibit pronounced dichroism. Polarized EXAFS data of all states of Ca 2+ -depleted PS II investigated show only minor changes in distances and orientations of the Mn-Mn vectors compared to the Ca 2+ -containing OEC, which may be attributed to some loss of rigidity of the core structure. Thus, removal of the Ca 2+ ion does not lead to fundamental distortion or rearrangement of the tetranuclear Mn cluster, which indicates that the Ca 2+ ion in the OEC is not critical for structural maintenance of the cluster, at least in the S 1 and S 2 states, but fulfills a crucial catalytic function in the mechanism of the water oxidation reaction. On the basis of this structural information, reasons for the inhibitory effect of Ca 2+ removal are discussed, attributing to the Ca 2+ ion a fundamental role in organizing the surrounding (substrate) water framework and in proton-coupled electron transfer to Y Z• (D1-Tyr161).« less

Removal of Ca(2+) from the Oxygen-Evolving Complex in Photosystem II Has Minimal Effect on the Mn4O5 Core Structure: A Polarized Mn X-ray Absorption Spectroscopy Study.

PubMed

Lohmiller, Thomas; Shelby, Megan L; Long, Xi; Yachandra, Vittal K; Yano, Junko

2015-10-29

Ca(2+)-depleted and Ca(2+)-reconstituted spinach photosystem II was studied using polarized X-ray absorption spectroscopy of oriented PS II preparations to investigate the structural and functional role of the Ca(2+) ion in the Mn4O5Ca cluster of the oxygen-evolving complex (OEC). Samples were prepared by low pH/citrate treatment as one-dimensionally ordered membrane layers and poised in the Ca(2+)-depleted S1 (S1') and S2 (S2') states, the S2'YZ(•) state, at which point the catalytic cycle of water oxidation is inhibited, and the Ca(2+)-reconstituted S1 state. Polarized Mn K-edge XANES and EXAFS spectra exhibit pronounced dichroism. Polarized EXAFS data of all states of Ca(2+)-depleted PS II investigated show only minor changes in distances and orientations of the Mn-Mn vectors compared to the Ca(2+)-containing OEC, which may be attributed to some loss of rigidity of the core structure. Thus, removal of the Ca(2+) ion does not lead to fundamental distortion or rearrangement of the tetranuclear Mn cluster, which indicates that the Ca(2+) ion in the OEC is not critical for structural maintenance of the cluster, at least in the S1 and S2 states, but fulfills a crucial catalytic function in the mechanism of the water oxidation reaction. On the basis of this structural information, reasons for the inhibitory effect of Ca(2+) removal are discussed, attributing to the Ca(2+) ion a fundamental role in organizing the surrounding (substrate) water framework and in proton-coupled electron transfer to YZ(•) (D1-Tyr161).

Discovery of the surface polarity gradient on iridescent Morpho butterfly scales reveals a mechanism of their selective vapor response

PubMed Central

Potyrailo, Radislav A.; Starkey, Timothy A.; Vukusic, Peter; Ghiradella, Helen; Vasudev, Milana; Bunning, Timothy; Naik, Rajesh R.; Tang, Zhexiong; Larsen, Michael; Deng, Tao; Zhong, Sheng; Palacios, Manuel; Grande, James C.; Zorn, Gilad; Goddard, Gregory; Zalubovsky, Sergey

2013-01-01

For almost a century, the iridescence of tropical Morpho butterfly scales has been known to originate from 3D vertical ridge structures of stacked periodic layers of cuticle separated by air gaps. Here we describe a biological pattern of surface functionality that we have found in these photonic structures. This pattern is a gradient of surface polarity of the ridge structures that runs from their polar tops to their less-polar bottoms. This finding shows a biological pattern design that could stimulate numerous technological applications ranging from photonic security tags to self-cleaning surfaces, gas separators, protective clothing, sensors, and many others. As an important first step, this biomaterial property and our knowledge of its basis has allowed us to unveil a general mechanism of selective vapor response observed in the photonic Morpho nanostructures. This mechanism of selective vapor response brings a multivariable perspective for sensing, where selectivity is achieved within a single chemically graded nanostructured sensing unit, rather than from an array of separate sensors. PMID:24019497

Polarized bow shocks reveal features of the winds and environments of massive stars

NASA Astrophysics Data System (ADS)

Shrestha, Manisha

2018-01-01

Massive stars strongly affect their surroundings through their energetic stellar winds and deaths as supernovae. The bow shock structures created by fast-moving massive stars contain important information about the winds and ultimate fates of these stars as well as their local interstellar medium (ISM). Since bow shocks are aspherical, the light scattered in the dense shock material becomes polarized. Analyzing this polarization reveals details of the bow shock geometry as well as the composition, velocity, density, and albedo of the scattering material. With these quantities, we can constrain the properties of the stellar wind and thus the evolutionary state of the star, as well as the dust composition of the local ISM.In my dissertation research, I use a Monte Carlo radiative transfer code that I optimized to simulate the polarization signatures produced by both resolved and unresolved stellar wind bow shocks (SWBS) illuminated by a central star and by shock emission. I derive bow shock shapes and densities from published analytical calculations and smooth particle hydrodynamic (SPH) models. In the case of the analytical SWBS and electron scattering, I find that higher optical depths produce higher polarization and position angle rotations at specific viewing angles compared to theoretical predictions for low optical depths. This is due to the geometrical properties of the bow shock combined with multiple scattering effects. For dust scattering, the polarization signature is strongly affected by wavelength, dust grain properties, and viewing angle. The behavior of the polarization as a function of wavelength in these cases can distinguish among different dust models for the local ISM. In the case of SPH density structures, I investigate how the polarization changes as a function of the evolutionary phase of the SWBS. My dissertation compares these simulations with polarization data from Betelgeuse and other massive stars with bow shocks. I discuss the implications of these model for the stellar winds and interstellar environments of these influential objects.

Polarization Control of Morphological Pattern Orientation During Light-Mediated Synthesis of Nanostructured Se–Te Films

DOE PAGES

Carim, Azhar I.; Batara, Nicolas A.; Premkumar, Anjali; ...

2015-11-23

The template-free growth of well ordered, highly anisotropic lamellar structures has been demonstrated during the photoelectrodeposition of Se–Te films, wherein the orientation of the pattern can be directed by orienting the linear polarization of the incident light. This control mechanism was investigated further herein by examining the morphologies of films grown photoelectrochemically using light from two simultaneous sources that had mutually different linear polarizations. Photoelectrochemical growth with light from two nonorthogonally polarized same-wavelength sources generated lamellar morphologies in which the long axes of the lamellae were oriented parallel to the intensity-weighted average polarization orientation. Simulations of light scattering at themore » solution–film interface were consistent with this observation. Computer modeling of these growths using combined full-wave electromagnetic and Monte Carlo growth simulations successfully reproduced the experimental morphologies and quantitatively agreed with the pattern orientations observed experimentally by considering only the fundamental light-material interactions during growth. Deposition with light from two orthogonally polarized same-wavelength as well as different-wavelength sources produced structures that consisted of two intersecting sets of orthogonally oriented lamellae in which the relative heights of the two sets could be varied by adjusting the relative source intensities. Simulations of light absorption were performed in analogous, idealized intersecting lamellar structures and revealed that the lamellae preferentially absorbed light polarized with the electric field vector along their long axes. In conclusion, these data sets cumulatively indicate that anisotropic light scattering and light absorption generated by the light polarization produces the anisotropic morphology and that the resultant morphology is a function of all illumination inputs despite differing polarizations.« less

Calculation of Electronic and Optical Properties of AgGaO2 Polymorphs Using Many-Body Approaches

NASA Astrophysics Data System (ADS)

Dadsetani, Mehrdad; Nejatipour, Reihan

2018-02-01

Ab initio calculations based on many-body perturbation theory have been used to study the electronic and optical properties of AgGaO2 in rhombohedral, hexagonal, and orthorhombic phases. GW calculations showed that AgGaO2 is an indirect-bandgap semiconductor in all three phases with energy bandgap of 2.35 eV, 2.23 eV, and 2.07 eV, in good agreement with available experimental values. By solving the Bethe-Salpeter equation (BSE) using the full potential linearized augmented plane wave basis, optical properties of the AgGaO2 polymorphs were calculated and compared with those obtained using the GW-corrected random phase approximation (RPA) and with existing experimental data. Strong anisotropy in the optical absorption spectra was observed, and the excitonic structures which were absent in the RPA calculations were reproduced in GWBSE calculations, in good agreement with the optical absorption spectrum of the rhombohedral phase. While modifying peak positions and intensities of the absorption spectra, the GWBSE gave rise to the redistribution of oscillator strengths. In comparison with the z-polarized response, excitonic effects in the x-polarized response were dominant. In the x- (and y-) polarized responses of r- and h-AgGaO2, spectral features and excitonic effects occur at the lower energies, but in the case of o-AgGaO2, the spectral structures of the z-polarized response occur at lower energies. In addition, the low-energy loss functions of AgGaO2 were calculated and compared using the GWBSE approach. Spectral features in the energy loss function components near the bandgap region were attributed to corresponding excitonic structures in the imaginary part of the dielectric function.

Polarization simulations of stellar wind bow-shock nebulae - I. The case of electron scattering

NASA Astrophysics Data System (ADS)

Shrestha, Manisha; Neilson, Hilding R.; Hoffman, Jennifer L.; Ignace, Richard

2018-06-01

Bow shocks and related density enhancements produced by the winds of massive stars moving through the interstellar medium provide important information regarding the motions of the stars, the properties of their stellar winds, and the characteristics of the local medium. Since bow-shock nebulae are aspherical structures, light scattering within them produces a net polarization signal even if the region is spatially unresolved. Scattering opacity arising from free electrons and dust leads to a distribution of polarized intensity across the bow-shock structure. That polarization encodes information about the shape, composition, opacity, density, and ionization state of the material within the structure. In this paper, we use the Monte Carlo radiative transfer code SLIP to investigate the polarization created when photons scatter in a bow-shock-shaped region of enhanced density surrounding a stellar source. We present results for electron scattering, and investigate the polarization behaviour as a function of optical depth, temperature, and source of photons for two different cases: pure scattering and scattering with absorption. In both regimes, we consider resolved and unresolved cases. We discuss the implications of these results as well as their possible use along with observational data to constrain the properties of observed bow-shock systems. In different situations and under certain assumptions, our simulations can constrain viewing angle, optical depth and temperature of the scattering region, and the relative luminosities of the star and shock.

Room-temperature polar order in [NH4][Cd(HCOO)3]--a hybrid inorganic-organic compound with a unique perovskite architecture.

PubMed

Gómez-Aguirre, L C; Pato-Doldán, B; Stroppa, A; Yáñez-Vilar, S; Bayarjargal, L; Winkler, B; Castro-García, S; Mira, J; Sánchez-Andújar, M; Señarís-Rodríguez, M A

2015-03-02

We report on the hybrid inorganic-organic ammonium compound [NH4][Cd(HCOO)3], which displays a most unusual framework structure: instead of the expected 4(9)·6(6) topology, it shows an ABX3 perovskite architecture with the peculiarity and uniqueness (among all the up-to-date reported hybrid metal formates) that the Cd ions are connected only by syn-anti formate bridges, instead of anti-anti ones. This change of the coordination mode of the formate ligand is thus another variable that can provide new possibilities for tuning the properties of these versatile functional metal-organic framework materials. The room-temperature crystal structure of [NH4][Cd(HCOO)3] is noncentrosymmetric (S.G.: Pna21) and displays a polar axis. DFT calculations and symmetry mode analysis show that the rather large polarization arising from the off-center shift of the ammonium cations in the cavities (4.33 μC/cm(2)) is partially canceled by the antiparallel polarization coming from the [Cd(HCOO)3](-) framework, thus resulting in a net polarization of 1.35 μC/cm(2). As shown by second harmonic generation studies, this net polarization can be greatly increased by applying pressure (Pmax = 14 GPa), an external stimulus that, in turn, induces the appearance of new structural phases, as confirmed by Raman spectroscopy.

Novel function of lecithin-cholesterol acyltransferase. Hydrolysis of oxidized polar phospholipids generated during lipoprotein oxidation.

PubMed

Goyal, J; Wang, K; Liu, M; Subbaiah, P V

1997-06-27

Although the major function of lecithin-cholesterol acyltransferase (LCAT) is cholesterol esterification, our previous studies showed that it can also hydrolyze platelet-activating factor (PAF). Because of the structural similarities between PAF and the truncated phosphatidylcholines (polar PCs) generated during lipoprotein oxidation, we investigated the possibility that LCAT may also hydrolyze polar PCs to lyso-PC during the oxidation of plasma. PAF acetylhydrolase (PAF-AH), which is known to hydrolyze polar PCs in human plasma, was completely inhibited by 0.2 mM p-aminoethyl benzenesulfonyl fluoride (Pefabloc), a new serine esterase inhibitor, which had no effect on LCAT at this concentration. On the other hand, 1 mM diisopropylfluorophosphate (DFP) completely inhibited LCAT but had no effect on PAF-AH. Polar PC accumulation during the oxidation of plasma increased by 44% in the presence of 0.2 mM Pefabloc and by 30% in the presence of 1 mM DFP. The formation of lyso-PC was concomitantly inhibited by both of the inhibitors. The combination of the two inhibitors resulted in the maximum accumulation of polar PCs, suggesting that both PAF-AH and LCAT are involved in their breakdown. Oxidation of chicken plasma, which has no PAF-AH activity, also resulted in the formation of lyso-PC from the hydrolysis of polar PC, which was inhibited by DFP. Polar PCs, either isolated from oxidized plasma or by oxidation of labeled synthetic PCs, were hydrolyzed by purified LCAT, which had no detectable PAF-AH activity. These results demonstrate a novel function for LCAT in the detoxification of polar PCs generated during lipoprotein oxidation, especially when the PAF-AH is absent or inactivated.

Mapping Cellular Polarity Networks Using Mass Spectrometry-based Strategies.

PubMed

Daulat, Avais M; Puvirajesinghe, Tania M; Camoin, Luc; Borg, Jean-Paul

2018-05-18

Cell polarity is a vital biological process involved in the building, maintenance and normal functioning of tissues in invertebrates and vertebrates. Unsurprisingly, molecular defects affecting polarity organization and functions have a strong impact on tissue homeostasis, embryonic development and adult life, and may directly or indirectly lead to diseases. Genetic studies have demonstrated the causative effect of several polarity genes in diseases; however, much remains to be clarified before a comprehensive view of the molecular organization and regulation of the protein networks associated with polarity proteins is obtained. This challenge can be approached head-on using proteomics to identify protein complexes involved in cell polarity and their modifications in a spatio-temporal manner. We review the fundamental basics of mass spectrometry techniques and provide an in-depth analysis of how mass spectrometry has been instrumental in understanding the complex and dynamic nature of some cell polarity networks at the tissue (apico-basal and planar cell polarities) and cellular (cell migration, ciliogenesis) levels, with the fine dissection of the interconnections between prototypic cell polarity proteins and signal transduction cascades in normal and pathological situations. This review primarily focuses on epithelial structures which are the fundamental building blocks for most metazoan tissues, used as the archetypal model to study cellular polarity. This field offers broad perspectives thanks to the ever-increasing sensitivity of mass spectrometry and its use in combination with recently developed molecular strategies able to probe in situ proteomic networks. Copyright © 2018 Elsevier Ltd. All rights reserved.

Giant thermally-enhanced electrostriction and polar surface phase in L a2M o2O9 oxygen ion conductors

NASA Astrophysics Data System (ADS)

Li, Qian; Lu, Teng; Schiemer, Jason; Laanait, Nouamane; Balke, Nina; Zhang, Zhan; Ren, Yang; Carpenter, Michael A.; Wen, Haidan; Li, Jiangyu; Kalinin, Sergei V.; Liu, Yun

2018-04-01

Ferroelectrics possess spontaneous electric polarization at macroscopic scales which nonetheless imposes strict limitations on the material classes. Recent discoveries of untraditional symmetry-breaking phenomena in reduced material dimensions have indicated feasibilities to extend polar properties to broader types of materials, potentially opening up the freedom for designing materials with hybrid functionalities. Here, we report the unusual electromechanical properties of L a2M o2O9 (LAMOX) oxygen ion conductors, systematically investigated at both bulk and surface length levels. We first observed giant electrostriction effects in L a2M o2O9 bulk ceramics that are thermally enhanced in concert with their low-energy oxygen-vacancy hopping dynamics. Moreover, while no clear bulk polarization was detected, the surface phases of LAMOX were found to be manifestly polar, likely originating from the coupling between the intrinsic structural flexibilities with strain gradients (i.e., flexoelectricity) and/or chemical heterogeneities present in the materials. These findings identify L a2M o2O9 as a promising electromechanical material system and suggest that the flexible structural and chemical configurations in ionically active materials could enable fundamentally different venues to accommodate electric polarization.

Tumor tissue characterization using polarization-sensitive second harmonic generation microscopy

NASA Astrophysics Data System (ADS)

Tokarz, Danielle; Cisek, Richard; Golaraei, Ahmad; Krouglov, Serguei; Navab, Roya; Niu, Carolyn; Sakashita, Shingo; Yasufuku, Kazuhiro; Tsao, Ming-Sound; Asa, Sylvia L.; Barzda, Virginijus; Wilson, Brian C.

2015-06-01

Changes in the ultrastructure of collagen in various tumor and non-tumor human tissues including lung, pancreas and thyroid were investigated ex vivo by a polarization-sensitive second harmonic generation (SHG) microscopy technique referred to as polarization-in, polarization-out (PIPO) SHG. This involves measuring the orientation of the linear polarization of outgoing SHG as a function of the linear polarization orientation of incident laser radiation. From the PIPO SHG data, the second-order nonlinear optical susceptibility tensor component ratio, χ(2) ZZZ'/χ(2) ZXX', for each pixel of the SHG image was obtained and presented as color-coded maps. Further, the orientation of collagen fibers in the tissue was deduced. Since the χ(2) ZZZ'/χ(2) ZXX' values represent the organization of collagen in the tissue, theses maps revealed areas of altered collagen structure (not simply concentration) within tissue sections. Statistically-significant differences in χ(2) ZZZ'/χ(2) ZXX' were found between tumor and non-tumor tissues, which varied from organ to organ. Hence, PIPO SHG microscopy could potentially be used to aid pathologists in diagnosing cancer. Additionally, PIPO SHG microscopy could aid in characterizing the structure of collagen in other collagen-related biological processes such as wound repair.

Density functional theory analysis of the impact of steric interaction on the function of switchable polarity solvents

DOE PAGES

McNally, Joshua S.; Noll, Bruce; Orme, Christopher J.; ...

2015-05-04

Here, a density functional theory (DFT) analysis has been performed to explore the impact of steric interactions on the function of switchable polarity solvents (SPS) and their implications on a quantitative structure-activity relationship (QSAR) model previously proposed for SPS. An x-ray crystal structure of the N,N-dimethylcyclohexylammonium bicarbonate (Hdmcha) salt has been solved as an asymmetric unit containing two cation/anion pairs, with a hydrogen bonding interaction observed between the bicarbonate anions, as well as between the cation and anion in each pair. DFT calculations provide an optimized structure of Hdmcha that closely resembles experimental data and reproduces the cation/anion interaction withmore » the inclusion of a dielectric field. Relaxed potential energy surface (PES) scans have been performed on Hdmcha-based computational model compounds, differing in the size of functional group bonded to the nitrogen center, to assess the steric impact of the group on the relative energy and structural properties of the compound. Results suggest that both the length and amount of branching associated with the substituent impact the energetic limitations on rotation of the group along the N-R bond and NC-R bond, and disrupt the energy minimized position of the hydrogen bonded bicarbonate group. The largest interaction resulted from functional groups that featured five bonds between the ammonium proton and a proton on a functional group with the freedom of rotation to form a pseudo-six membered ring which included both protons.« less

Modeling self-organization of novel organic materials

NASA Astrophysics Data System (ADS)

Sayar, Mehmet

In this thesis, the structural organization of oligomeric multi-block molecules is analyzed by computational analysis of coarse-grained models. These molecules form nanostructures with different dimensionalities, and the nanostructured nature of these materials leads to novel structural properties at different length scales. Previously, a number of oligomeric triblock rodcoil molecules have been shown to self-organize into mushroom shaped noncentrosymmetric nanostructures. Interestingly, thin films of these molecules contain polar domains and a finite macroscopic polarization. However, the fully polarized state is not the equilibrium state. In the first chapter, by solving a model with dipolar and Ising-like short range interactions, we show that polar domains are stable in films composed of aggregates as opposed to isolated molecules. Unlike classical molecular systems, these nanoaggregates have large intralayer spacings (a ≈ 6 nm), leading to a reduction in the repulsive dipolar interactions that oppose polar order within layers. This enables the formation of a striped pattern with polar domains of alternating directions. The energies of the possible structures at zero temperature are computed exactly and results of Monte Carlo simulations are provided at non-zero temperatures. In the second chapter, the macroscopic polarization of such nanostructured films is analyzed in the presence of a short range surface interaction. The surface interaction leads to a periodic domain structure where the balance between the up and down domains is broken, and therefore films of finite thickness have a net macroscopic polarization. The polarization per unit volume is a function of film thickness and strength of the surface interaction. Finally, in chapter three, self-organization of organic molecules into a network of one dimensional objects is analyzed. Multi-block organic dendron rodcoil molecules were found to self-organize into supramolecular nanoribbons (threads) and form gels at very low concentrations. Here, the formation and structural properties of these networks are studied with Monte Carlo simulations. The model gelators can form intra and inter-thread bonds, and the threads have a finite stiffness. The results suggest that the high persistence length is a result of the interplay of thread stiffness and inter-thread interactions. Furthermore, this high persistence length enables the formation of networks at low concentrations.

Variable field-of-view visible and near-infrared polarization compound-eye endoscope.

PubMed

Kagawa, K; Shogenji, R; Tanaka, E; Yamada, K; Kawahito, S; Tanida, J

2012-01-01

A multi-functional compound-eye endoscope enabling variable field-of-view and polarization imaging as well as extremely deep focus is presented, which is based on a compact compound-eye camera called TOMBO (thin observation module by bound optics). Fixed and movable mirrors are introduced to control the field of view. Metal-wire-grid polarizer thin film applicable to both of visible and near-infrared lights is attached to the lenses in TOMBO and light sources. Control of the field-of-view, polarization and wavelength of the illumination realizes several observation modes such as three-dimensional shape measurement, wide field-of-view, and close-up observation of the superficial tissues and structures beneath the skin.

Selective Solvent-Induced Stabilization of Polar Oxide Surfaces in an Electrochemical Environment

NASA Astrophysics Data System (ADS)

Yoo, Su-Hyun; Todorova, Mira; Neugebauer, Jörg

2018-02-01

The impact of an electrochemical environment on the thermodynamic stability of polar oxide surfaces is investigated for the example of ZnO(0001) surfaces immersed in water using density functional theory calculations. We show that solvation effects are highly selective: They have little effect on surfaces showing a metallic character, but largely stabilize semiconducting structures, particularly those that have a high electrostatic penalty in vacuum. The high selectivity is shown to have direct consequences for the surface phase diagram and explains, e.g., why certain surface structures could be observed only in an electrochemical environment.

Positive selection in octopus haemocyanin indicates functional links to temperature adaptation.

PubMed

Oellermann, Michael; Strugnell, Jan M; Lieb, Bernhard; Mark, Felix C

2015-07-05

Octopods have successfully colonised the world's oceans from the tropics to the poles. Yet, successful persistence in these habitats has required adaptations of their advanced physiological apparatus to compensate impaired oxygen supply. Their oxygen transporter haemocyanin plays a major role in cold tolerance and accordingly has undergone functional modifications to sustain oxygen release at sub-zero temperatures. However, it remains unknown how molecular properties evolved to explain the observed functional adaptations. We thus aimed to assess whether natural selection affected molecular and structural properties of haemocyanin that explains temperature adaptation in octopods. Analysis of 239 partial sequences of the haemocyanin functional units (FU) f and g of 28 octopod species of polar, temperate, subtropical and tropical origin revealed natural selection was acting primarily on charge properties of surface residues. Polar octopods contained haemocyanins with higher net surface charge due to decreased glutamic acid content and higher numbers of basic amino acids. Within the analysed partial sequences, positive selection was present at site 2545, positioned between the active copper binding centre and the FU g surface. At this site, methionine was the dominant amino acid in polar octopods and leucine was dominant in tropical octopods. Sites directly involved in oxygen binding or quaternary interactions were highly conserved within the analysed sequence. This study has provided the first insight into molecular and structural mechanisms that have enabled octopods to sustain oxygen supply from polar to tropical conditions. Our findings imply modulation of oxygen binding via charge-charge interaction at the protein surface, which stabilize quaternary interactions among functional units to reduce detrimental effects of high pH on venous oxygen release. Of the observed partial haemocyanin sequence, residue 2545 formed a close link between the FU g surface and the active centre, suggesting a role as allosteric binding site. The prevalence of methionine at this site in polar octopods, implies regulation of oxygen affinity via increased sensitivity to allosteric metal binding. High sequence conservation of sites directly involved in oxygen binding indicates that functional modifications of octopod haemocyanin rather occur via more subtle mechanisms, as observed in this study.

Modular community structure suggests metabolic plasticity during the transition to polar night in ice-covered Antarctic lakes.

PubMed

Vick-Majors, Trista J; Priscu, John C; Amaral-Zettler, Linda A

2014-04-01

High-latitude environments, such as the Antarctic McMurdo Dry Valley lakes, are subject to seasonally segregated light-dark cycles, which have important consequences for microbial diversity and function on an annual basis. Owing largely to the logistical difficulties of sampling polar environments during the darkness of winter, little is known about planktonic microbial community responses to the cessation of photosynthetic primary production during the austral sunset, which lingers from approximately February to April. Here, we hypothesized that changes in bacterial, archaeal and eukaryotic community structure, particularly shifts in favor of chemolithotrophs and mixotrophs, would manifest during the transition to polar night. Our work represents the first concurrent molecular characterization, using 454 pyrosequencing of hypervariable regions of the small-subunit ribosomal RNA gene, of bacterial, archaeal and eukaryotic communities in permanently ice-covered lakes Fryxell and Bonney, before and during the polar night transition. We found vertically stratified populations that varied at the community and/or operational taxonomic unit-level between lakes and seasons. Network analysis based on operational taxonomic unit level interactions revealed nonrandomly structured microbial communities organized into modules (groups of taxa) containing key metabolic potential capacities, including photoheterotrophy, mixotrophy and chemolithotrophy, which are likely to be differentially favored during the transition to polar night.

Quantitative nanoscale imaging of orientational order in biological filaments by polarized superresolution microscopy

PubMed Central

Valades Cruz, Cesar Augusto; Shaban, Haitham Ahmed; Kress, Alla; Bertaux, Nicolas; Monneret, Serge; Mavrakis, Manos; Savatier, Julien; Brasselet, Sophie

2016-01-01

Essential cellular functions as diverse as genome maintenance and tissue morphogenesis rely on the dynamic organization of filamentous assemblies. For example, the precise structural organization of DNA filaments has profound consequences on all DNA-mediated processes including gene expression, whereas control over the precise spatial arrangement of cytoskeletal protein filaments is key for mechanical force generation driving animal tissue morphogenesis. Polarized fluorescence is currently used to extract structural organization of fluorescently labeled biological filaments by determining the orientation of fluorescent labels, however with a strong drawback: polarized fluorescence imaging is indeed spatially limited by optical diffraction, and is thus unable to discriminate between the intrinsic orientational mobility of the fluorophore labels and the real structural disorder of the labeled biomolecules. Here, we demonstrate that quantitative single-molecule polarized detection in biological filament assemblies allows not only to correct for the rotational flexibility of the label but also to image orientational order of filaments at the nanoscale using superresolution capabilities. The method is based on polarized direct stochastic optical reconstruction microscopy, using dedicated optical scheme and image analysis to determine both molecular localization and orientation with high precision. We apply this method to double-stranded DNA in vitro and microtubules and actin stress fibers in whole cells. PMID:26831082

Local and average structure of Mn- and La-substituted BiFeO{sub 3}

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

Jiang, Bo; Selbach, Sverre M., E-mail: selbach@ntnu.no

2017-06-15

The local and average structure of solid solutions of the multiferroic perovskite BiFeO{sub 3} is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space groupmore » symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO{sub 3}. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions. - Graphical abstract: The experimental and simulated partial pair distribution functions (PDF) for BiFeO{sub 3}, BiFe{sub 0.875}Mn{sub 0.125}O{sub 3}, BiFe{sub 0.75}Mn{sub 0.25}O{sub 3} and Bi{sub 0.9}La{sub 0.1}FeO{sub 3}.« less

Planck intermediate results. XX. Comparison of polarized thermal emission from Galactic dust with simulations of MHD turbulence

NASA Astrophysics Data System (ADS)

Planck Collaboration; Ade, P. A. R.; Aghanim, N.; Alina, D.; Alves, M. I. R.; Aniano, G.; Armitage-Caplan, C.; Arnaud, M.; Arzoumanian, D.; Ashdown, M.; Atrio-Barandela, F.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Battaner, E.; Benabed, K.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Boulanger, F.; Bracco, A.; Burigana, C.; Cardoso, J.-F.; Catalano, A.; Chamballu, A.; Chiang, H. C.; Christensen, P. R.; Colombi, S.; Colombo, L. P. L.; Combet, C.; Couchot, F.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; Davis, R. J.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Dickinson, C.; Diego, J. M.; Donzelli, S.; Doré, O.; Douspis, M.; Dupac, X.; Efstathiou, G.; Enßlin, T. A.; Eriksen, H. K.; Falgarone, E.; Fanciullo, L.; Ferrière, K.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Galeotta, S.; Ganga, K.; Ghosh, T.; Giard, M.; Giraud-Héraud, Y.; González-Nuevo, J.; Górski, K. M.; Gregorio, A.; Gruppuso, A.; Guillet, V.; Hansen, F. K.; Harrison, D. L.; Helou, G.; Hernández-Monteagudo, C.; Hildebrandt, S. R.; Hivon, E.; Hobson, M.; Holmes, W. A.; Hornstrup, A.; Huffenberger, K. M.; Jaffe, A. H.; Jaffe, T. R.; Jones, W. C.; Juvela, M.; Keihänen, E.; Keskitalo, R.; Kisner, T. S.; Kneissl, R.; Knoche, J.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lamarre, J.-M.; Lasenby, A.; Lawrence, C. R.; Leonardi, R.; Levrier, F.; Liguori, M.; Lilje, P. B.; Linden-Vørnle, M.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; Maino, D.; Mandolesi, N.; Maris, M.; Marshall, D. J.; Martin, P. G.; Martínez-González, E.; Masi, S.; Matarrese, S.; Mazzotta, P.; Melchiorri, A.; Mendes, L.; Mennella, A.; Migliaccio, M.; Miville-Deschênes, M.-A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Munshi, D.; Murphy, J. A.; Naselsky, P.; Nati, F.; Natoli, P.; Netterfield, C. B.; Noviello, F.; Novikov, D.; Novikov, I.; Oxborrow, C. A.; Pagano, L.; Pajot, F.; Paoletti, D.; Pasian, F.; Pelkonen, V.-M.; Perdereau, O.; Perotto, L.; Perrotta, F.; Piacentini, F.; Piat, M.; Pietrobon, D.; Plaszczynski, S.; Pointecouteau, E.; Polenta, G.; Popa, L.; Pratt, G. W.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Reinecke, M.; Remazeilles, M.; Renault, C.; Ricciardi, S.; Riller, T.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Roudier, G.; Rusholme, B.; Sandri, M.; Scott, D.; Soler, J. D.; Spencer, L. D.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Umana, G.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vielva, P.; Villa, F.; Wade, L. A.; Wandelt, B. D.; Zonca, A.

2015-04-01

Polarized emission observed by Planck HFI at 353 GHz towards a sample of nearby fields is presented, focusing on the statistics of polarization fractions p and angles ψ. The polarization fractions and column densities in these nearby fields are representative of the range of values obtained over the whole sky. We find that: (i) the largest polarization fractions are reached in the most diffuse fields; (ii) the maximum polarization fraction pmax decreases with column density NH in the more opaque fields with NH> 1021 cm-2; and (iii) the polarization fraction along a given line of sight is correlated with the local spatial coherence of the polarization angle. These observations are compared to polarized emission maps computed in simulations of anisotropic magnetohydrodynamical turbulence in which we assume a uniform intrinsic polarization fraction of the dust grains. We find that an estimate of this parameter may be recovered from the maximum polarization fraction pmax in diffuse regions where the magnetic field is ordered on large scales and perpendicular to the line of sight. This emphasizes the impact of anisotropies of the magnetic field on the emerging polarization signal. The decrease of the maximum polarization fraction with column density in nearby molecular clouds is well reproduced in the simulations, indicating that it is essentially due to the turbulent structure of the magnetic field: an accumulation of variously polarized structures along the line of sight leads to such an anti-correlation. In the simulations, polarization fractions are also found to anti-correlate with the angle dispersion function 𝒮. However, the dispersion of the polarization angle for a given polarization fraction is found to be larger in the simulations than in the observations, suggesting a shortcoming in the physical content of these numerical models. In summary, we find that the turbulent structure of the magnetic field is able to reproduce the main statistical properties of the dust polarization as observed in a variety of nearby clouds, dense cores excluded, and that the large-scale field orientation with respect to the line of sight plays a major role in the quantitative analysis of these statistical properties. Appendices are available in electronic form at http://www.aanda.org

Three-State Ferroelastic Switching and Large Electromechanical Responses in PbTiO3 Thin Films.

PubMed

Damodaran, Anoop R; Pandya, Shishir; Agar, Josh C; Cao, Ye; Vasudevan, Rama K; Xu, Ruijuan; Saremi, Sahar; Li, Qian; Kim, Jieun; McCarter, Margaret R; Dedon, Liv R; Angsten, Tom; Balke, Nina; Jesse, Stephen; Asta, Mark; Kalinin, Sergei V; Martin, Lane W

2017-10-01

Leveraging competition between energetically degenerate states to achieve large field-driven responses is a hallmark of functional materials, but routes to such competition are limited. Here, a new route to such effects involving domain-structure competition is demonstrated, which arises from strain-induced spontaneous partitioning of PbTiO 3 thin films into nearly energetically degenerate, hierarchical domain architectures of coexisting c/a and a 1 /a 2 domain structures. Using band-excitation piezoresponse force microscopy, this study manipulates and acoustically detects a facile interconversion of different ferroelastic variants via a two-step, three-state ferroelastic switching process (out-of-plane polarized c + → in-plane polarized a → out-of-plane polarized c - state), which is concomitant with large nonvolatile electromechanical strains (≈1.25%) and tunability of the local piezoresponse and elastic modulus (>23%). It is further demonstrated that deterministic, nonvolatile writing/erasure of large-area patterns of this electromechanical response is possible, thus showing a new pathway to improved function and properties. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Three-State Ferroelastic Switching and Large Electromechanical Responses in PbTiO 3 Thin Films

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

Damodaran, Anoop R.; Pandya, Shishir; Agar, Josh C.

Leveraging competition between energetically degenerate states to achieve large field-driven responses is a hallmark of functional materials, but routes to such competition are limited. Here, a new route to such effects involving domain-structure competition is demonstrated, which arises from straininduced spontaneous partitioning of PbTiO 3 thin films into nearly energetically degenerate, hierarchical domain architectures of coexisting c/a and a 1/a 2 domain structures. Using band-excitation piezoresponse force microscopy, this study manipulates and acoustically detects a facile interconversion of different ferroelastic variants via a two-step, three-state ferroelastic switching process (out-of-plane polarized c+ → in-plane polarized a → out-of-plane polarized c- state),more » which is concomitant with large nonvolatile electromechanical strains (≈1.25%) and tunability of the local piezoresponse and elastic modulus (>23%). It is further demonstrated that deterministic, nonvolatile writing/erasure of large-area patterns of this electromechanical response is possible, thus showing a new pathway to improved function and properties.« less

Electronic Structure Calculations of Hydrogen Storage in Lithium-Decorated Metal-Graphyne Framework.

PubMed

Kumar, Sandeep; Dhilip Kumar, Thogluva Janardhanan

2017-08-30

Porous metal-graphyne framework (MGF) made up of graphyne linker decorated with lithium has been investigated for hydrogen storage. Applying density functional theory spin-polarized generalized gradient approximation with the Perdew-Burke-Ernzerhof functional containing Grimme's diffusion parameter with double numeric polarization basis set, the structural stability, and physicochemical properties have been analyzed. Each linker binds two Li atoms over the surface of the graphyne linker forming MGF-Li 8 by Dewar coordination. On saturation with hydrogen, each Li atom physisorbs three H 2 molecules resulting in MGF-Li 8 -H 24 . H 2 and Li interact by charge polarization mechanism leading to elongation in average H-H bond length indicating physisorption. Sorption energy decreases gradually from ≈0.4 to 0.20 eV on H 2 loading. Molecular dynamics simulations and computed sorption energy range indicate the high reversibility of H 2 in the MGF-Li 8 framework with the hydrogen storage capacity of 6.4 wt %. The calculated thermodynamic practical hydrogen storage at room temperature makes the Li-decorated MGF system a promising hydrogen storage material.

The adaptation of polar fishes to climatic changes: Structure, function and phylogeny of haemoglobin.

PubMed

Verde, Cinzia; Giordano, Daniela; di Prisco, Guido

2008-01-01

In the Antarctic, fishes of dominant suborder Notothenioidei have evolved in a unique thermal scenario. Phylogenetically related taxa of the suborder live in a wide range of latitudes, in Antarctic, sub-Antarctic and temperate oceans. Consequently, they offer a remarkable opportunity to study the physiological and biochemical characters gained and, conversely, lost during their evolutionary history. The evolutionary perspective has also been pursued by comparative studies of some features of the heme protein devoted to O(2) transport in fish living in the other polar region, the Arctic. The two polar regions differ by age and isolation. Fish living in each habitat have undergone regional constraints and fit into different evolutionary histories. The aim of this contribution is to survey the current knowledge of molecular structure, functional features, phylogeny and adaptations of the haemoglobins of fish thriving in the Antarctic, sub-Antarctic and Arctic regions (with some excursions in the temperate latitudes), in search of insights into the convergent processes evolved in response to cooling. Current climate change may disturb adaptation, calling for strategies aimed at neutralising threats to biodiversity.

Structural distortions in monolayers of binary semiconductors

NASA Astrophysics Data System (ADS)

Kumari, Poonam; Debnath, Saikat; Mahadevan, Priya

2018-01-01

We examine the structural properties of free-standing II-VI and III-V semiconductors at the monolayer limit within first principle density functional theory calculations. A nonpolar buckled structure was found to be favored over a polar buckled structure. While an obvious reason for this may be traced to the contribution from dipole-dipole interactions present in the polar structure which would destabilize it with respect to the nonpolar structure, Coulomb interactions between electrons on the cations and anions are found to be the reason for the nonpolar structure to be favoured. A route to tune the Coulomb interaction between the electrons on the cations and anions is through biaxial tensile strain. This allows for a planar graphitic phase in CdS to be stabilized at just 2% tensile strain. Strain also shifts the valence band maximum from the Γ point to the K point, opening up opportunities for exploring spin-valley physics in these materials.

Is the vast polar structure of dwarf galaxies a serious problem for Λ cold dark matter?

NASA Astrophysics Data System (ADS)

Lipnicky, Andrew; Chakrabarti, Sukanya

2017-06-01

The dwarf galaxies around the Milky Way are distributed in a so-called vast polar structure (VPOS) that may be in conflict with Λ cold dark matter (ΛCDM) simulations. Here, we seek to determine if the VPOS poses a serious challenge to the ΛCDM paradigm on galactic scales. Specifically, we investigate if the VPOS remains coherent as a function of time. Using the measured Hubble Space Telescope (HST) proper motions and associated uncertainties, we integrate the orbits of the classical Milky Way satellites backwards in time and find that the structure disperses well before a dynamical time. We also examine, in particular, Leo I and Leo II using their most recent proper motion data, both of which have extreme kinematic properties, but these satellites do not appear to drive the polar fit that is seen at the present day. We have studied the effect of the uncertainties on the HST proper motions on the coherence of the VPOS as a function of time. We find that 8 of the 11 classical dwarfs have reliable proper motions; for these eight, the VPOS also loses significance in less than a dynamical time, indicating that the VPOS is not a dynamically stable structure. Obtaining more accurate proper motion measurements of Ursa Minor, Sculptor and Carina would bolster these conclusions.

High-efficiency terahertz polarization devices based on the dielectric metasurface

NASA Astrophysics Data System (ADS)

Zhou, Jian; Wang, JingJing; Guo, Kai; Shen, Fei; Zhou, Qingfeng; Zhiping yin; Guo, Zhongyi

2018-02-01

Metasurfaces are composed of the subwavelength structures, which can be used to manipulate the amplitude, phase, and polarization of incident electromagnetic waves efficiently. Here, we propose a novel type of dielectric metasurface based on crystal Si for realizing to manipulate the terahertz wave, in which by varying the geometric sizes of the Si micro-bricks, the transmitting phase of the terahertz wave can almost span over the entire 2π range for both of the x-polarization and y-polarization simultaneously, while keeping the similarly high-transmission amplitudes (over 90%). At the frequency of 1.0 THz, we have successfully designed a series of controllable THz devices, such as the polarization-dependent beam splitter, polarization-independent beam deflector and the focusing lenses based on the designed metasurfaces. Our designs are easy to fabricate and can be promising in developing high-efficiency THz functional devices.

Implications of rapid environmental change for polar bear behavior and sociality

USGS Publications Warehouse

Atwood, Todd C.

2017-01-01

Historically, the Arctic sea ice has functioned as a structural barrier that has limited the nature and extent of interactions between humans and polar bears (Ursus maritimus). However, declining sea ice extent, brought about by global climate change, is increasing the potential for human-polar bear interactions. Loss of sea ice habitat is driving changes to both human and polar bear behavior—it is facilitating increases in human activities (e.g., offshore oil and gas exploration and extraction, trans-Arctic shipping, recreation), while also causing the displacement of bears from preferred foraging habitat (i.e., sea ice over biologically productive shallow) to land in some portions of their range. The end result of these changes is that polar bears are spending greater amounts of time in close proximity to people. Coexistence between humans and polar bears will require imposing mechanisms to manage further development, as well as mitigation strategies that reduce the burden to local communities.

Polar order in nanostructured organic materials

NASA Astrophysics Data System (ADS)

Sayar, M.; Olvera de la Cruz, M.; Stupp, S. I.

2003-02-01

Achiral multi-block liquid crystals are not expected to form polar domains. Recently, however, films of nanoaggregates formed by multi-block rodcoil molecules were identified as the first example of achiral single-component materials with macroscopic polar properties. By solving an Ising-like model with dipolar and asymmetric short-range interactions, we show here that polar domains are stable in films composed of aggregates as opposed to isolated molecules. Unlike classical molecular systems, these nanoaggregates have large intralayer spacings (a approx 8 nm), leading to a reduction in the repulsive dipolar interactions which oppose polar order within layers. In finite-thickness films of nanostructures, this effect enables the formation of polar domains. We compute exactly the energies of the possible structures consistent with the experiments as a function of film thickness at zero temperature (T). We also provide Monte Carlo simulations at non-zero T for a disordered hexagonal lattice that resembles the smectic-like packing in these nanofilms.

Successive Magnetic-Field-Induced Transitions and Colossal Magnetoelectric Effect in Ni 3 TeO 6

DOE PAGES

Kim, Jae Wook; Artyukhin, Sergei; Mun, Eun Deok; ...

2015-09-24

In this paper, we report the discovery of a metamagnetic phase transition in a polar antiferromagnet Ni 3TeO 6 that occurs at 52 T. The new phase transition accompanies a colossal magnetoelectric effect, with a magnetic-field-induced polarization change of 0.3 μC/cm 2, a value that is 4 times larger than for the spin-flop transition at 9 T in the same material, and also comparable to the largest magnetically induced polarization changes observed to date. Via density-functional calculations we construct a full microscopic model that describes the data. We model the spin structures in all fields and clarify the physics behindmore » the 52 T transition. The high-field transition involves a competition between multiple different exchange interactions which drives the polarization change through the exchange-striction mechanism. Finally, the resultant spin structure is rather counterintuitive and complex, thus providing new insights on design principles for materials with strong magnetoelectric coupling.« less

Polarization Multiplexing of Fluorescent Emission Using Multiresonant Plasmonic Antennas.

PubMed

De Leo, Eva; Cocina, Ario; Tiwari, Preksha; Poulikakos, Lisa V; Marqués-Gallego, Patricia; le Feber, Boris; Norris, David J; Prins, Ferry

2017-12-26

Combining the ability to localize electromagnetic fields at the nanoscale with a directional response, plasmonic antennas offer an effective strategy to shape the far-field pattern of coupled emitters. Here, we introduce a family of directional multiresonant antennas that allows for polarization-resolved spectral identification of fluorescent emission. The geometry consists of a central aperture surrounded by concentric polygonal corrugations. By varying the periodicity of each axis of the polygon individually, this structure can support multiple resonances that provide independent control over emission directionality for multiple wavelengths. Moreover, since each resonant wavelength is directly mapped to a specific polarization orientation, spectral information can be encoded in the polarization state of the out-scattered beam. To demonstrate the potential of such structures in enabling simplified detection schemes and additional functionalities in sensing and imaging applications, we use the central subwavelength aperture as a built-in nanocuvette and manipulate the fluorescent response of colloidal-quantum-dot emitters coupled to the multiresonant antenna.

Polarization Multiplexing of Fluorescent Emission Using Multiresonant Plasmonic Antennas

PubMed Central

2017-01-01

Combining the ability to localize electromagnetic fields at the nanoscale with a directional response, plasmonic antennas offer an effective strategy to shape the far-field pattern of coupled emitters. Here, we introduce a family of directional multiresonant antennas that allows for polarization-resolved spectral identification of fluorescent emission. The geometry consists of a central aperture surrounded by concentric polygonal corrugations. By varying the periodicity of each axis of the polygon individually, this structure can support multiple resonances that provide independent control over emission directionality for multiple wavelengths. Moreover, since each resonant wavelength is directly mapped to a specific polarization orientation, spectral information can be encoded in the polarization state of the out-scattered beam. To demonstrate the potential of such structures in enabling simplified detection schemes and additional functionalities in sensing and imaging applications, we use the central subwavelength aperture as a built-in nanocuvette and manipulate the fluorescent response of colloidal-quantum-dot emitters coupled to the multiresonant antenna. PMID:29161502

Structured light generation by magnetic metamaterial half-wave plates at visible wavelength

NASA Astrophysics Data System (ADS)

Zeng, Jinwei; Luk, Ting S.; Gao, Jie; Yang, Xiaodong

2017-12-01

Metamaterial or metasurface unit cells functioning as half-wave plates play an essential role for realizing ideal Pancharatnam-Berry phase optical elements capable of tailoring light phase and polarization as desired. Complex light beam manipulation through these metamaterials or metasurfaces unveils new dimensions of light-matter interactions for many advances in diffraction engineering, beam shaping, structuring light, and holography. However, the realization of metamaterial or metasurface half-wave plates in visible spectrum range is still challenging mainly due to its specific requirements of strong phase anisotropy with amplitude isotropy in subwavelength scale. Here, we propose magnetic metamaterial structures which can simultaneously exploit the electric field and magnetic field of light for achieving the nanoscale half-wave plates at visible wavelength. We design and demonstrate the magnetic metamaterial half-wave plates in linear grating patterns with high polarization conversion purity in a deep subwavelength thickness. Then, we characterize the equivalent magnetic metamaterial half-wave plates in cylindrical coordinate as concentric-ring grating patterns, which act like an azimuthal half-wave plate and accordingly exhibit spatially inhomogeneous polarization and phase manipulations including spin-to-orbital angular momentum conversion and vector beam generation. Our results show potentials for realizing on-chip beam converters, compact holograms, and many other metamaterial devices for structured light beam generation, polarization control, and wavefront manipulation.

(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.

Mapping molecular orientational distributions for biological sample in 3D (Conference Presentation)

NASA Astrophysics Data System (ADS)

HE, Wei; Ferrand, Patrick; Richter, Benjamin; Bastmeyer, Martin; Brasselet, Sophie

2016-04-01

Measuring molecular orientation properties is very appealing for scientists in molecular and cell biology, as well as biomedical research. Orientational organization at the molecular scale is indeed an important brick to cells and tissues morphology, mechanics, functions and pathologies. Recent work has shown that polarized fluorescence imaging, based on excitation polarization tuning in the sample plane, is able to probe molecular orientational order in biological samples; however this applies only to information in 2D, projected in the sample plane. To surpass this limitation, we extended this approach to excitation polarization tuning in 3D. The principle is based on the decomposition of any arbitrary 3D linear excitation in a polarization along the longitudinal z-axis, and a polarization in the transverse xy-sample plane. We designed an interferometer with one arm generating radial polarization light (thus producing longitudinal polarization under high numerical aperture focusing), the other arm controlling a linear polarization in the transverse plane. The amplitude ratio between the two arms can vary so as to get any linear polarized excitation in 3D at the focus of a high NA objective. This technique has been characterized by polarimetry imaging at the back focal plane of the focusing objective, and modeled theoretically. 3D polarized fluorescence microscopy is demonstrated on actin stress fibers in non-flat cells suspended on synthetic polymer structures forming supporting pillars, for which heterogeneous actin orientational order could be identified. This technique shows a great potential in structural investigations in 3D biological systems, such as cell spheroids and tissues.

Real-time photonic sampling with improved signal-to-noise and distortion ratio using polarization-dependent modulators

NASA Astrophysics Data System (ADS)

Liang, Dong; Zhang, Zhiyao; Liu, Yong; Li, Xiaojun; Jiang, Wei; Tan, Qinggui

2018-04-01

A real-time photonic sampling structure with effective nonlinearity suppression and excellent signal-to-noise ratio (SNR) performance is proposed. The key points of this scheme are the polarization-dependent modulators (P-DMZMs) and the sagnac loop structure. Thanks to the polarization sensitive characteristic of P-DMZMs, the differences between transfer functions of the fundamental signal and the distortion become visible. Meanwhile, the selection of specific biases in P-DMZMs is helpful to achieve a preferable linearized performance with a low noise level for real-time photonic sampling. Compared with the quadrature-biased scheme, the proposed scheme is capable of valid nonlinearity suppression and is able to provide a better SNR performance even in a large frequency range. The proposed scheme is proved to be effective and easily implemented for real time photonic applications.

Correlation of soil and sediment organic matter polarity to aqueous sorption of nonionic compounds

USGS Publications Warehouse

Kile, D.E.; Wershaw, R. L.; Chiou, C.T.

1999-01-01

Polarities of the soiL/sediment organic matter (SOM) in 19 soil and 9 freshwater sediment sam pies were determined from solid-state 13C-CP/MAS NMR spectra and compared with published partition coefficients (K(oc)) of carbon tetrachloride (CT) from aqueous solution. Nondestructive analysis of whole samples by solid-state NMR permits a direct assessment of the polarity of SOM that is not possible by elemental analysis. The percent of organic carbon associated with polar functional groups was estimated from the combined fraction of carbohydrate and carboxylamide-ester carbons. A plot of the measured partition coefficients (K(oc)) of carbon tetrachloride (CT) vs. percent polar organic carbon (POC) shows distinctly different populations of soils and sediments as well as a roughly inverse trend among the soil/sediment populations. Plots of K(oc) values for CT against other structural group carbon fractions did not yield distinct populations. The results indicate that the polarity of SOM is a significant factor in accounting for differences in K(oc) between the organic matter in soils and sediments. The alternate direct correlation of the sum of aliphatic and aromatic structural carbons with K(oc) illustrates the influence of nonpolar hydrocarbon on solute partition interaction. Additional elemental analysis data of selected samples further substantiate the effect of the organic matter polarity on the partition efficiency of nonpolar solutes. The separation between soil and sediment samples based on percent POC reflects definite differences of the properties of soil and sediment organic matters that are attributable to diagenesis.Polarities of the soil/sediment organic matter (SOM) in 19 soil and 9 freshwater sediment samples were determined from solid-state 13C-CP/MAS NMR spectra and compared with published partition coefficients (Koc) of carbon tetrachloride (CT) from aqueous solution. Nondestructive analysis of whole samples by solid-state NMR permits a direct assessment of the polarity of SOM that is not possible by elemental analysis. The percent of organic carbon associated with polar functional groups was estimated from the combined fraction of carbohydrate and carboxyl-amide-ester carbons. A plot of the measured partition coefficients (Koc) of carbon tetrachloride (CT) vs. percent polar organic carbon (POC) shows distinctly different populations of soils and sediments as well as a roughly inverse trend among the soil/sediment populations. Plots of Koc values for CT against other structural group carbon fractions did not yield distinct populations. The results indicate that the polarity of SOM is a significant factor in accounting for differences in Koc between the organic matter in soils and sediments. The alternate direct correlation of the sum of aliphatic and aromatic structural carbons with Koc illustrates the influence of nonpolar hydrocarbon on solute partition interaction. Additional elemental analysis data of selected samples further substantiate the effect of the organic matter polarity on the partition efficiency of nonpolar solutes. The separation between soil and sediment samples based on percent POC reflects definite differences of the properties of soil and sediment organic matters that are attributable to diagenesis.

Estimate of uncertainties in polarized parton distributions

NASA Astrophysics Data System (ADS)

Miyama, M.; Goto, Y.; Hirai, M.; Kobayashi, H.; Kumano, S.; Morii, T.; Saito, N.; Shibata, T.-A.; Yamanishi, T.

2001-10-01

From \\chi^2 analysis of polarized deep inelastic scattering data, we determined polarized parton distribution functions (Y. Goto et al. (AAC), Phys. Rev. D 62, 34017 (2000).). In order to clarify the reliability of the obtained distributions, we should estimate uncertainties of the distributions. In this talk, we discuss the pol-PDF uncertainties by using a Hessian method. A Hessian matrix H_ij is given by second derivatives of the \\chi^2, and the error matrix \\varepsilon_ij is defined as the inverse matrix of H_ij. Using the error matrix, we calculate the error of a function F by (δ F)^2 = sum_i,j fracpartial Fpartial ai \\varepsilon_ij fracpartial Fpartial aj , where a_i,j are the parameters in the \\chi^2 analysis. Using this method, we show the uncertainties of the pol-PDF, structure functions g_1, and spin asymmetries A_1. Furthermore, we show a role of future experiments such as the RHIC-Spin. An important purpose of planned experiments in the near future is to determine the polarized gluon distribution function Δ g (x) in detail. We reanalyze the pol-PDF uncertainties including the gluon fake data which are expected to be given by the upcoming experiments. From this analysis, we discuss how much the uncertainties of Δ g (x) can be improved by such measurements.

Polarization-independent fiber filter with an all-polarization-maintaining fiber loop for tunable fiber lasers

NASA Astrophysics Data System (ADS)

Zhang, Jun; Wu, Weiran; Rao, Qi; Zhou, Kejiang

2018-05-01

Tunable fiber lasers are a promising light source in all-optical wavelength conversion, fiber grating sensing and optical add-drop multiplexing. In order to achieve a tunable wavelength in the output, optical filters are indispensable for the construction of tunable fiber lasers. Recently, much attention has been given to developing high-performance filters. This paper proposes an environment-insensitive filter based on a Sagnac interferometer which was designed by an all-polarization-maintaining fiber with linear birefringence. According to the Sagnac interferometer, we derived the transfer function of an environment-insensitive filter. Based on this principle, it is shown that the device is able to implement a precision filtering function that can be used in a fiber laser’s optical resonant cavity. The experiment results demonstrated the effectiveness of this structure.

Ultrabroadband Design for Linear Polarization Conversion and Asymmetric Transmission Crossing X- and K- Band

PubMed Central

Zhang, Linbo; Zhou, Peiheng; Chen, Haiyan; Lu, Haipeng; Xie, Haiyan; Zhang, Li; Li, En; Xie, Jianliang; Deng, Longjiang

2016-01-01

In this work, a high-efficiency and broadband reflective converter using ultrathin planar metamaterial (MM) composed of single-layered SRR is firstly realized. Numerical and experimental results demonstrate that the cross-polarization conversion reflectance above 0.84 is achieved from 8.6 to 18.6 GHz for linearly polarized (LP) incident waves under normal incidence. Subsequently, a multi-layered MM based on SRR enables a dramatic improvement of the recently demonstrated asymmetric transmission (AT) effect. Theoretical and measured results present that strong one-way transmission of two orthogonally polarized waves crossing C- and K- band has been observed. These two separated AT pass-bands have a function of selective polarization filter, which can be switched on/off by changing the polarization state of incident waves. The physical mechanisms are elucidated by taking advantage of electric fields and current distributions. Considering the broad bandwidth and the dual band, we believe that these two structures will be beneficial for designing polarization-controlled and selective transmission converter. PMID:27658929

Reduction of skylight reflection effects in the above-water measurement of diffuse marine reflectance: comment.

PubMed

Krotkov, N A; Vasilkov, A P

2000-03-20

Use of a vertical polarizer has been suggested to reduce the effects of surface reflection in the above-water measurements of marine reflectance. We suggest using a similar technique for airborne or spaceborne sensors when atmospheric scattering adds its own polarization signature to the upwelling radiance. Our own theoretical sensitivity study supports the recommendation of Fougnie et al. [Appl. Opt. 38, 3844 (1999)] (40-50 degrees vertical angle and azimuth angle near 135 degrees, polarizer parallel to the viewing plane) for above-water measurements. However, the optimal viewing directions (and the optimal orientation of the polarizer) change with altitude above the sea surface, solar angle, and atmospheric vertical optical structure. A polarization efficiency function is introduced, which shows the maximal possible polarization discrimination of the background radiation for an arbitrary altitude above the sea surface, viewing direction, and solar angle. Our comment is meant to encourage broader application of airborne and spaceborne polarization sensors in remote sensing of water and sea surface properties.

Ultrabroadband Design for Linear Polarization Conversion and Asymmetric Transmission Crossing X- and K- Band.

PubMed

Zhang, Linbo; Zhou, Peiheng; Chen, Haiyan; Lu, Haipeng; Xie, Haiyan; Zhang, Li; Li, En; Xie, Jianliang; Deng, Longjiang

2016-09-23

In this work, a high-efficiency and broadband reflective converter using ultrathin planar metamaterial (MM) composed of single-layered SRR is firstly realized. Numerical and experimental results demonstrate that the cross-polarization conversion reflectance above 0.84 is achieved from 8.6 to 18.6 GHz for linearly polarized (LP) incident waves under normal incidence. Subsequently, a multi-layered MM based on SRR enables a dramatic improvement of the recently demonstrated asymmetric transmission (AT) effect. Theoretical and measured results present that strong one-way transmission of two orthogonally polarized waves crossing C- and K- band has been observed. These two separated AT pass-bands have a function of selective polarization filter, which can be switched on/off by changing the polarization state of incident waves. The physical mechanisms are elucidated by taking advantage of electric fields and current distributions. Considering the broad bandwidth and the dual band, we believe that these two structures will be beneficial for designing polarization-controlled and selective transmission converter.

Dipole-Oriented Molecular Solids Can Undergo a Phase Change and Still Maintain Electrical Polarization

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

Cassidy, Andrew; Jørgensen, Mads R. V.; Rosu-Finsen, Alexander

2016-10-02

It has recently been demonstrated that nanoscale molecular films can spontaneously assemble to self-generate intrinsic electric fields that can exceed 10 8 V/m. These electric fields originate from polarization charges in the material that arise because the films self-assemble to orient molecular dipole moments. This has been called the spontelectric effect. Such growth of spontaneously polarized layers of molecular solids has implications for our understanding of how intermolecular interactions dictate the structure of molecular materials used in a range of applications, for example, molecular semiconductors, sensors, and catalysts. In this paper, we present the first in situ structural characterization ofmore » a representative spontelectric solid, nitrous oxide. Infrared spectroscopy, temperature-programmed desorption, and neutron reflectivity measurements demonstrate that polarized films of nitrous oxide undergo a structural phase transformation upon heating above 48 K. A mean-field model can be used to describe quantitatively the magnitude of the spontaneously generated field as a function of film-growth temperature, and this model also recreates the phase change. Finally, this reinforces the spontelectric model as a means of describing long-range dipole–dipole interactions and points to a new type of ordering in molecular thin films.« less

Two spin-canting textures in the antiferromagnetic phase AF1 of MnWO4 based on the new polar atomistic model in P2

NASA Astrophysics Data System (ADS)

Park, S.-H.; Liu, B.-Q.; Behal, D.; Pedersen, B.; Schneidewind, A.

2018-04-01

The low temperature antiferromagnetic (AF) phase of MnWO4 (the so-called AF1 phase) exhibits different spin-canting configurations at two Mn2+ sublattices of the (3  +  1)-dimensional magnetic structure. The suggested superspace group {{\\boldsymbol P}}2.1^\\prime(α, 1/2, γ)0s is a significant consequence of the polar space group {{\\boldsymbol P}} 2 true for the nuclear structure of MnWO4. Density functional theory calculations showed that its ground state prefers this two spin-canting system. The structural difference between two independent atomic sites for Mn (Mn a , Mn b ) is too small to allow microscopically detectable electric polarisation. However, this hidden intrinsic polar character allows AF1 two commensurately modulated spin-canting textures. This is considered as the prerequisite onset of the improper ferroelectricity enhanced by the helical spin order in the multiferroic phase AF2 of MnWO4.

Dual Function Behavior of Carbon Fiber-Reinforced Polymer in Simulated Pore Solution.

PubMed

Zhu, Ji-Hua; Guo, Guanping; Wei, Liangliang; Zhu, Miaochang; Chen, Xianchuan

2016-02-06

The mechanical and electrochemical performance of carbon fiber-reinforced polymer (CFRP) were investigated regarding a novel improvement in the load-carrying capacity and durability of reinforced concrete structures by adopting CFRP as both a structural strengthener and an anode of the impressed current cathodic protection (ICCP) system. The mechanical and anode performance of CFRP were investigated in an aqueous pore solution in which the electrolytes were available to the anode in a cured concrete structure. Accelerated polarization tests were designed with different test durations and various levels of applied currents in accordance with the international standard. The CFRP specimens were mechanically characterized after polarization. The measured feeding voltage and potential during the test period indicates CFRP have stable anode performance in a simulated pore solution. Two failure modes were observed through tensile testing. The tensile properties of the post-polarization CFRP specimens declined with an increased charge density. The CFRP demonstrated success as a structural strengthener and ICCP anode. We propose a mathematic model predicting the tensile strengths of CFRP with varied impressed charge densities.

Dual Function Behavior of Carbon Fiber-Reinforced Polymer in Simulated Pore Solution

PubMed Central

Zhu, Ji-Hua; Guo, Guanping; Wei, Liangliang; Zhu, Miaochang; Chen, Xianchuan

2016-01-01

The mechanical and electrochemical performance of carbon fiber-reinforced polymer (CFRP) were investigated regarding a novel improvement in the load-carrying capacity and durability of reinforced concrete structures by adopting CFRP as both a structural strengthener and an anode of the impressed current cathodic protection (ICCP) system. The mechanical and anode performance of CFRP were investigated in an aqueous pore solution in which the electrolytes were available to the anode in a cured concrete structure. Accelerated polarization tests were designed with different test durations and various levels of applied currents in accordance with the international standard. The CFRP specimens were mechanically characterized after polarization. The measured feeding voltage and potential during the test period indicates CFRP have stable anode performance in a simulated pore solution. Two failure modes were observed through tensile testing. The tensile properties of the post-polarization CFRP specimens declined with an increased charge density. The CFRP demonstrated success as a structural strengthener and ICCP anode. We propose a mathematic model predicting the tensile strengths of CFRP with varied impressed charge densities. PMID:28787900

Crystal orientation dependence of femtosecond laser-induced periodic surface structure on (100) silicon.

PubMed

Jiang, Lan; Han, Weina; Li, Xiaowei; Wang, Qingsong; Meng, Fantong; Lu, Yongfeng

2014-06-01

It is widely believed that laser-induced periodic surface structures (LIPSS) are independent of material crystal structures. This Letter reports an abnormal phenomenon of strong dependence of the anisotropic formation of periodic ripples on crystal orientation, when Si (100) is processed by a linearly polarized femtosecond laser (800 nm, 50 fs, 1 kHz). LIPSS formation sensitivity with a π/2 modulation is found along different crystal orientations with a quasi-cosinusoid function when the angle between the crystal orientation and polarization direction is changed from 0° to 180°. Our experiments indicate that it is much easier (or more difficult) to form ripple structures when the polarization direction is aligned with the lattice axis [011]/[011¯] (or [001]). The modulated nonlinear ionization rate along different crystal orientations, which arises from the direction dependence of the effective mass of the electron is proposed to interpret the unexpected anisotropic LIPSS formation phenomenon. Also, we demonstrate that the abnormal phenomenon can be applied to control the continuity of scanned ripple lines along different crystal orientations.

Single-Layer Plasmonic Metasurface Half-Wave Plates with Wavelength-Independent Polarization Conversion Angle

DOE PAGES

Liu, Zhaocheng; Li, Zhancheng; Liu, Zhe; ...

2017-06-30

Manipulation of polarization state is of great fundamental importance and plays a crucial role in modern photonic applications such as optical communication, imaging, and sensing. Metamaterials and metasurfaces have attracted increasing interest in this area because they facilitate designer optical response through engineering the composite subwavelength structures. In this paper, we propose a general methods of designing half-wave plate and demonstrate in the near-infrared wavelength range an optically thin plasmonic metasurface half-wave plates that rotate the polarization direction of the linearly polarized incident light with a high degree of linear polarization. Finally, the half-wave plate functionality is realized through arrangingmore » the orientation of the nanoantennas to form an appropriate spatial distribution profile, which behave exactly as in classical half-wave plates but over in a wavelength-independent way.« less

Polar Expansion Dynamics in the Plant Kingdom: A Diverse and Multifunctional Journey on the Path to Pollen Tubes

PubMed Central

Domozych, David S.; Fujimoto, Chelsea; LaRue, Therese

2013-01-01

Polar expansion is a widespread phenomenon in plants spanning all taxonomic groups from the Charophycean Green Algae to pollen tubes in Angiosperms and Gymnosperms. Current data strongly suggests that many common features are shared amongst cells displaying polar growth mechanics including changes to the structural features of localized regions of the cell wall, mobilization of targeted secretion mechanisms, employment of the actin cytoskeleton for directing secretion and in many cases, endocytosis and coordinated interaction of multiple signal transduction mechanisms prompted by external biotic and abiotic cues. The products of polar expansion perform diverse functions including delivery of male gametes to the egg, absorption, anchorage, adhesion and photo-absorption efficacy. A comparative analysis of polar expansion dynamics is provided with special emphasis on those found in early divergent plants. PMID:27137370

Variable angle-of-incidence polarization-sensitive optical coherence tomography: its use to study the 3D collagen structure of equine articular cartilage

NASA Astrophysics Data System (ADS)

Ugryumova, Nadya; Gangnus, Sergei V.; Matcher, Stephen J.

2006-02-01

Polarization-sensitive optical coherence tomography has been used to spatially map the birefringence of equine articular cartilage. The polar orientation of the collagen fibers relative to the plane of the joint surface must be taken into account if a quantitative measurement of true birefringence is required. Using a series of images taken at different angles of illumination, we determine the fiber polar angle and true birefringence at one site on a sample of equine cartilage, on the assumption that the fibers lie within the plane of imaging. We propose a more general method based on the extended Jones matrix formalism to determine both the polar and azimuthal orientation of the collagen fibers as well as the true birefringence as functions of depth.

Measuring political polarization: Twitter shows the two sides of Venezuela

NASA Astrophysics Data System (ADS)

Morales, A. J.; Borondo, J.; Losada, J. C.; Benito, R. M.

2015-03-01

We say that a population is perfectly polarized when divided in two groups of the same size and opposite opinions. In this paper, we propose a methodology to study and measure the emergence of polarization from social interactions. We begin by proposing a model to estimate opinions in which a minority of influential individuals propagate their opinions through a social network. The result of the model is an opinion probability density function. Next, we propose an index to quantify the extent to which the resulting distribution is polarized. Finally, we apply the proposed methodology to a Twitter conversation about the late Venezuelan president, Hugo Chávez, finding a good agreement between our results and offline data. Hence, we show that our methodology can detect different degrees of polarization, depending on the structure of the network.

The effects of Rashba spin-orbit coupling on spin-polarized transport in hexagonal graphene nano-rings and flakes

NASA Astrophysics Data System (ADS)

Laghaei, M.; Heidari Semiromi, E.

2018-03-01

Quantum transport properties and spin polarization in hexagonal graphene nanostructures with zigzag edges and different sizes were investigated in the presence of Rashba spin-orbit interaction (RSOI). The nanostructure was considered as a channel to which two semi-infinite armchair graphene nanoribbons were coupled as input and output leads. Spin transmission and spin polarization in x, y, and z directions were calculated through applying Landauer-Buttiker formalism with tight binding model and the Green's function to the system. In these quantum structures it is shown that changing the size of system, induce and control the spin polarized currents. In short, these graphene systems are typical candidates for electrical spintronic devices as spin filtering.

Spin structure of the neutron ({sup 3}He) and the Bjoerken sum rule

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

Meziani, Z.E.

1994-12-01

A first measurement of the longitudinal asymmetry of deep-inelastic scattering of polarized electrons from a polarized {sup 3}He target at energies ranging from 19 to 26 GeV has been performed at the Stanford Linear Accelerator Center (SLAC). The spin-structure function of the neutron g{sub 1}{sup n} has been extracted from the measured asymmetries. The Quark Parton Model (QPM) interpretation of the nucleon spin-structure function is examined in light of the new results. A test of the Ellis-Jaffe sum rule (E-J) on the neutron is performed at high momentum transfer and found to be satisfied. Furthermore, combining the proton results ofmore » the European Muon Collaboration (EMC) and the neutron results of E-142, the Bjoerken sum rule test is carried at high Q{sup 2} where higher order Perturbative Quantum Chromodynamics (PQCD) corrections and higher-twist corrections are smaller. The sum rule is saturated to within one standard deviation.« less

Structural, Electronic and Elastic Properties of Half-Heusler Alloys CrNiZ (Z = Al, Si, Ge and As)

NASA Astrophysics Data System (ADS)

Zitouni, A.; Benstaali, W.; Abbad, A.; Lantri, T.; Bouadjemi, B.; Aziz, Z.

2018-06-01

In the present work, a self-consistent ab-initio calculation using the full- potential linearized augmented plane wave (FP-LAPW) method within the framework of the spin-polarized density functional theory (DFT) was used to study the structural, electronic, magnetic and elastic properties of the half Heusler alloys CrNiZ (Z = Al, Si, Ge and As) in three phases ( α, β and γ phases). The generalized gradient approximation (GGA) described by Perdew-Burke-Ernzerhof (PBE) was used. The results obtained for the spin-polarized band structure and the density of states show a halfmetallic behavior for the four compounds. The elastic constants ( C ij ) show that our compounds are ductile, stiff and anisotropic.

Structure and electronic properties of Cu nanoclusters supported on Mo 2C(001) and MoC(001) surfaces

DOE PAGES

Posada-Pérez, Sergio; Viñes, Francesc; Rodríguez, José A.; ...

2015-09-15

In this study, the atomic structure and electronic properties of Cu n nanoclusters (n = 4, 6, 7, and 10) supported on cubic nonpolar δ-MoC(001) and orthorhombic C- or Mo-terminated polar β-Mo 2C(001) surfaces have been investigated by means of periodic density functional theory based calculations. The electronic properties have been analyzed by means of the density of states, Bader charges, and electron localization function plots. The Cu nanoparticles supported on β-Mo 2C(001), either Mo- or C-terminated, tend to present a two-dimensional structure whereas a three-dimensional geometry is preferred when supported on δ-MoC(001), indicating that the Mo:C ratio and themore » surface polarity play a key role determining the structure of supported clusters. Nevertheless, calculations also reveal important differences between the C- and Mo-terminated β-Mo 2C(001) supports to the point that supported Cu particles exhibit different charge states, which opens a way to control the reactivity of these potential catalysts.« less

The structure of polarization maps of skin histological sections in the Fourier domain for the tasks of benign and malignant formations differentiation

NASA Astrophysics Data System (ADS)

Ushenko, V. A.; Dubolazov, A. V.; Savich, V. O.; Novakovskaya, O. Y.; Olar, O. V.; Marchuk, Y. F.

2015-02-01

The optical model of birefringent networks of biological tissues is presented. The technique of Fourier polarimetry for selection of manifestations of linear and circular birefringence of protein fibrils is suggested. The results of investigations of statistical (statistical moments of the 1st-4th orders), correlation (dispersion and excess of autocorrelation functions) and scalar-self-similar (logarithmic dependencies of power spectra) structure of Fourier spectra of polarization azimuths distribution of laser images of skin samples are presented. The criteria of differentiation of postoperative biopsy of benign (keratoma) and malignant (adenocarcinoma) skin tumors are determined.

Polarization sensitive changes in the human macula associated with normal aging and age-related macular degeneration

NASA Astrophysics Data System (ADS)

VanNasdale, Dean Allan, Jr.

2011-12-01

The human macula occupies a relatively small, but crucial retinal area, as it is the location responsible for our most acute spatial vision and best color discrimination. Localizing important landmarks in the retina is difficult even in normal eyes where morphological inter-individual variability is high. This becomes even more challenging in the presence of sight-threatening pathology. With respect to the human macula, there remains a significant gap in the understanding of normal structure and function. Even less is known about the pathological mechanisms that occur in sight-threatening diseases including age-related macular degeneration. Because relatively little is known about normal aging changes, it is also difficult to differentiate those changes from changes associated with retinal disease. To better understand normal and pathological changes in the macula, imaging techniques using specific optical signatures are required. Structural features in the macula can be distinguished based on their intrinsic properties using specific light/tissue interactions. Because of the high degree of structural regularity in the macula, polarization sensitive imaging is potentially a useful tool for evaluating the morphology and integrity of the cellular architecture for both normal individuals and those affected by disease. In our investigations, we used polarization sensitive imaging to determining normal landmarks that are important clinically and for research investigations. We found that precision and accuracy in localizing the central macula was greatly improved through the use of polarization sensitive imaging. We also found that specific polarization alterations can be used to demonstrate systematic changes as a function of age, disproportionately affecting the central macular region. When evaluating patients with age-related macular degeneration, we found that precision and accuracy of localizing the central macula was also improved, even when significant pathology was present. We found that normal aging changes could be distinguished from pathology associated with AMD and that polarization sensitive imaging can be used to delineate large extents of retinal damage. We found that various types of AMD pathology can also be differentiated based on scattering and polarization altering properties. Our findings demonstrate that polarization sensitive imaging is a useful modality in the evaluation of changes occurring in the normal human macula as well as changes associated with serious macular disease.

Understanding the Differential Selectivity of Arrestins toward the Phosphorylation State of the Receptor.

PubMed

Sensoy, Ozge; Moreira, Irina S; Morra, Giulia

2016-09-21

Proteins in the arrestin family exhibit a conserved structural fold that nevertheless allows for significant differences in their selectivity for G-protein coupled receptors (GPCRs) and their phosphorylation states. To reveal the mechanism of activation that prepares arrestin for selective interaction with GPCRs, and to understand the basis for these differences, we used unbiased molecular dynamics simulations to compare the structural and dynamic properties of wild type Arr1 (Arr1-WT), Arr3 (Arr3-WT), and a constitutively active Arr1 mutant, Arr1-R175E, characterized by a perturbation of the phosphate recognition region called "polar core". We find that in our simulations the mutant evolves toward a conformation that resembles the known preactivated structures of an Arr1 splice-variant, and the structurally similar phosphopeptide-bound Arr2-WT, while this does not happen for Arr1-WT. Hence, we propose an activation allosteric mechanism connecting the perturbation of the polar core to a global conformational change, including the relative reorientation of N- and C-domains, and the emergence of electrostatic properties of putative binding surfaces. The underlying local structural changes are interpreted as markers of the evolution of an arrestin structure toward an active-like conformation. Similar activation related changes occur in Arr3-WT in the absence of any perturbation of the polar core, suggesting that this system could spontaneously visit preactivated states in solution. This hypothesis is proposed to explain the lower selectivity of Arr3 toward nonphosphorylated receptors. Moreover, by elucidating the allosteric mechanism underlying activation, we identify functionally critical regions on arrestin structure that can be targeted with drugs or chemical tools for functional modulation.

Long-range dipolar order and dispersion forces in polar liquids

NASA Astrophysics Data System (ADS)

Besford, Quinn Alexander; Christofferson, Andrew Joseph; Liu, Maoyuan; Yarovsky, Irene

2017-11-01

Complex solvation phenomena, such as specific ion effects, occur in polar liquids. Interpretation of these effects in terms of structure and dispersion forces will lead to a greater understanding of solvation. Herein, using molecular dynamics, we probe the structure of polar liquids through specific dipolar pair correlation functions that contribute to the potential of mean force that is "felt" between thermally rotating dipole moments. It is shown that unique dipolar order exists at separations at least up to 20 Å for all liquids studied. When the structural order is compared with a dipolar dispersion force that arises from local co-operative enhancement of dipole moments, a strong agreement is found. Lifshitz theory of dispersion forces was compared with the structural order, where the theory is validated for all liquids that do not have significant local dipole correlations. For liquids that do have significant local dipole correlations, specifically liquid water, Lifshitz theory underestimates the dispersion force by a factor of 5-10, demonstrating that the force that leads to the increased structure in liquid water is missed by Lifshitz theory of van der Waals forces. We apply similar correlation functions to an ionic aqueous system, where long-range order between water's dipole moment and a single chloride ion is found to exist at 20 Å of separation, revealing a long-range perturbation of water's structure by an ion. Furthermore, we found that waters within the 1st, 2nd, and 3rd solvation shells of a chloride ion exhibit significantly enhanced dipolar interactions, particularly with waters at larger distances of separation. Our results provide a link between structures, dispersion forces, and specific ion effects, which may lead to a more robust understanding of solvation.

Longitudinal Double-Spin Asymmetry ALL for Inclusive Jet Production in Polarized Proton Collisions at √s = 510 GeV

NASA Astrophysics Data System (ADS)

Quintero, Amilkar; STAR Collaboration

2017-09-01

The STAR experiment at the Relativistic Heavy-Ion Collider (RHIC) at Brookhaven National Laboratory is carrying out a spin physics program in high-energy polarized proton collisions at center of mass energies up to 510 GeV, to gain a deeper insight into the spin structure and dynamics of the proton. The polarized gluon distribution function can be constrained in longitudinally polarized proton collisions through jet / di-jet production. Recent global analyses, which include results of the measurement of ALL for inclusive jet production at 200 GeV at mid-rapidity at the STAR experiment, provide evidence of a non-zero gluon polarization in the measured range of partonic momentum fraction of approximately 0.05

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

NASA Astrophysics Data System (ADS)

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

2015-01-01

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

(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.

Molecular dynamics simulation of the ionic liquid N-octylpyridinium tetrafluoroborate and acetonitrile: Thermodynamic and structural properties

NASA Astrophysics Data System (ADS)

Zhou, Siwen; Zhu, Guanglai; Kang, Xianqu; Li, Qiang; Sha, Maolin; Cui, Zhifeng; Xu, Xinsheng

2018-06-01

Using molecular dynamics simulation, the research obtained the thermodynamic properties and microstructures of the mixture of N-octylpyridinium tetrafluoroborate and acetonitrile, including density, self-diffusion coefficients, excess properties, radial distribution functions (RDFs) and spatial distribution functions (SDFs). Both RDFs and SDFs indicate that the local microstructure of the polar region is different from the nonpolar region with different mole fraction of ionic liquids. Acetonitrile could increase the order of the polar regions. While with acetonitrile increasing, the orderliness of the nonpolar region increases firstly and then decreases. In relatively dilute solution, ionic liquids were dispersed to form small aggregates wrapped by acetonitrile.

Field-induced polarization rotation and phase transitions in 0.70 Pb ( M g 1 / 3 N b 2 / 3 ) O 3 – 0.30 PbTi O 3 piezoceramics observed by in situ high-energy x-ray scattering

DOE PAGES

Hou, Dong; Usher, Tedi -Marie; Fulanovic, Lovro; ...

2018-06-12

Changes to the crystal structure of 0.70Pb(Mg 1/3Nb 2/3)O 3–0.30PbTiO 3 (PMN-0.30PT) piezoceramic under application of electric fields at the long-range and local scale are revealed by in situ high-energy x-ray diffraction (XRD) and pair-distribution function (PDF) analyses, respectively. The crystal structure of unpoled samples is identified as monoclinic Cm at both the long-range and local scale. In situ XRD results suggest that field-induced polarization rotation and phase transitions occur at specific field strengths. A polarization rotation pathway is proposed based on the Bragg-peak behaviors and the Le Bail fitting results of the in situ XRD patterns. The PDF resultsmore » show systematic changes to the structures at the local scale, which is in agreement with the changes inferred from the in situ XRD study. More importantly, our results prove that polarization rotation can be detected and determined in a polycrystalline relaxor ferroelectric. Furthermore, this study supports the idea that multiple contributions, specifically ferroelectric-ferroelectric phase transition and polarization rotation, are responsible for the high piezoelectric properties at the morphotropic phase boundary of PMN-xPT piezoceramics.« less

Field-induced polarization rotation and phase transitions in 0.70 Pb ( M g 1 / 3 N b 2 / 3 ) O 3 – 0.30 PbTi O 3 piezoceramics observed by in situ high-energy x-ray scattering

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

Hou, Dong; Usher, Tedi -Marie; Fulanovic, Lovro

Changes to the crystal structure of 0.70Pb(Mg 1/3Nb 2/3)O 3–0.30PbTiO 3 (PMN-0.30PT) piezoceramic under application of electric fields at the long-range and local scale are revealed by in situ high-energy x-ray diffraction (XRD) and pair-distribution function (PDF) analyses, respectively. The crystal structure of unpoled samples is identified as monoclinic Cm at both the long-range and local scale. In situ XRD results suggest that field-induced polarization rotation and phase transitions occur at specific field strengths. A polarization rotation pathway is proposed based on the Bragg-peak behaviors and the Le Bail fitting results of the in situ XRD patterns. The PDF resultsmore » show systematic changes to the structures at the local scale, which is in agreement with the changes inferred from the in situ XRD study. More importantly, our results prove that polarization rotation can be detected and determined in a polycrystalline relaxor ferroelectric. Furthermore, this study supports the idea that multiple contributions, specifically ferroelectric-ferroelectric phase transition and polarization rotation, are responsible for the high piezoelectric properties at the morphotropic phase boundary of PMN-xPT piezoceramics.« less

Field-induced polarization rotation and phase transitions in 0.70 Pb (M g1 /3N b2 /3 ) O3-0.30 PbTi O3 piezoceramics observed by in situ high-energy x-ray scattering

NASA Astrophysics Data System (ADS)

Hou, Dong; Usher, Tedi-Marie; Fulanovic, Lovro; Vrabelj, Marko; Otonicar, Mojca; Ursic, Hana; Malic, Barbara; Levin, Igor; Jones, Jacob L.

2018-06-01

Changes to the crystal structure of 0.70 Pb (M g1 /3N b2 /3 ) O3-0.30 PbTi O3 (PMN-0.30PT) piezoceramic under application of electric fields at the long-range and local scale are revealed by in situ high-energy x-ray diffraction (XRD) and pair-distribution function (PDF) analyses, respectively. The crystal structure of unpoled samples is identified as monoclinic C m at both the long-range and local scale. In situ XRD results suggest that field-induced polarization rotation and phase transitions occur at specific field strengths. A polarization rotation pathway is proposed based on the Bragg-peak behaviors and the Le Bail fitting results of the in situ XRD patterns. The PDF results show systematic changes to the structures at the local scale, which is in agreement with the changes inferred from the in situ XRD study. More importantly, our results prove that polarization rotation can be detected and determined in a polycrystalline relaxor ferroelectric. This study supports the idea that multiple contributions, specifically ferroelectric-ferroelectric phase transition and polarization rotation, are responsible for the high piezoelectric properties at the morphotropic phase boundary of PMN-x PT piezoceramics.

Mutations in proteins of the Conserved Oligomeric Golgi Complex affect polarity, cell wall structure, and glycosylation in the filamentous fungus Aspergillus nidulans.

PubMed

Gremillion, S K; Harris, S D; Jackson-Hayes, L; Kaminskyj, S G W; Loprete, D M; Gauthier, A C; Mercer, S; Ravita, A J; Hill, T W

2014-12-01

We have described two Aspergillus nidulans gene mutations, designated podB1 (polarity defective) and swoP1 (swollen cell), which cause temperature-sensitive defects during polarization. Mutant strains also displayed unevenness and abnormal thickness of cell walls. Un-polarized or poorly-polarized mutant cells were capable of establishing normal polarity after a shift to a permissive temperature, and mutant hyphae shifted from permissive to restrictive temperature show wall and polarity abnormalities in subsequent growth. The mutated genes (podB=AN8226.3; swoP=AN7462.3) were identified as homologues of COG2 and COG4, respectively, each predicted to encode a subunit of the multi-protein COG (Conserved Oligomeric Golgi) Complex involved in retrograde vesicle trafficking in the Golgi apparatus. Down-regulation of COG2 or COG4 resulted in abnormal polarization and cell wall staining. The GFP-tagged COG2 and COG4 homologues displayed punctate, Golgi-like localization. Lectin-blotting indicated that protein glycosylation was altered in the mutant strains compared to the wild type. A multicopy expression experiment showed evidence for functional interactions between the homologues COG2 and COG4 as well as between COG2 and COG3. To date, this work is the first regarding a functional role of the COG proteins in the development of a filamentous fungus. Copyright © 2014 Elsevier Inc. All rights reserved.

Electric polarization switching in an atomically thin binary rock salt structure

NASA Astrophysics Data System (ADS)

Martinez-Castro, Jose; Piantek, Marten; Schubert, Sonja; Persson, Mats; Serrate, David; Hirjibehedin, Cyrus F.

2018-01-01

Inducing and controlling electric dipoles is hindered in the ultrathin limit by the finite screening length of surface charges at metal-insulator junctions1-3, although this effect can be circumvented by specially designed interfaces4. Heterostructures of insulating materials hold great promise, as confirmed by perovskite oxide superlattices with compositional substitution to artificially break the structural inversion symmetry5-8. Bringing this concept to the ultrathin limit would substantially broaden the range of materials and functionalities that could be exploited in novel nanoscale device designs. Here, we report that non-zero electric polarization can be induced and reversed in a hysteretic manner in bilayers made of ultrathin insulators whose electric polarization cannot be switched individually. In particular, we explore the interface between ionic rock salt alkali halides such as NaCl or KBr and polar insulating Cu2N terminating bulk copper. The strong compositional asymmetry between the polar Cu2N and the vacuum gap breaks inversion symmetry in the alkali halide layer, inducing out-of-plane dipoles that are stabilized in one orientation (self-poling). The dipole orientation can be reversed by a critical electric field, producing sharp switching of the tunnel current passing through the junction.

Molecular accessibility in solvent swelled coal

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

Kispert, L.D.

1991-08-01

Research continued on the determination of pore size and number distribution changes after swelling the coal samples with various solvents. A paper has just been submitted to the journal Fuel on the Low temperature Swelling of Argonne Premium Coal samples using solvents of varying polarity. The variation in the shape of the pore was followed as a function of temperature and swelling solvent polarity. This change in pore structure was attributed to break-up of the hydrogen bonding network in coal by polar solvents. The modification in pore shape from spherical to cylindrical was attributed to anisotropy in hydrogen bond densities.more » A copy of this paper has been attached to this report. Wojciech Sady has determine the structural changes in the pores that occur when APCS coal is dehydrated prior to swelling with polar solvents. These changes are different from those that occur in the absence of prior dehydration. He has also completed a study on the variation in the hydrogen bonding character of the pore wall as the coals are swelled with various polar solvents. A statistical analysis of the data is currently underway to determine important trends in his data. 9 refs.« less

Reflecting metallic metasurfaces designed with stochastic optimization as waveplates for manipulating light polarization

NASA Astrophysics Data System (ADS)

Haberko, Jakub; Wasylczyk, Piotr

2018-03-01

We demonstrate that a stochastic optimization algorithm with a properly chosen, weighted fitness function, following a global variation of parameters upon each step can be used to effectively design reflective polarizing optical elements. Two sub-wavelength metallic metasurfaces, corresponding to broadband half- and quarter-waveplates are demonstrated with simple structure topology, a uniform metallic coating and with the design suited for the currently available microfabrication techniques, such as ion milling or 3D printing.

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

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

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

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

Ionization Study of Isomeric Molecules in Strong-field Laser Pulses

DOE PAGES

Zigo, Stefan; Le, Anh-Thu; Timilsina, Pratap; ...

2017-02-10

Through the use of the technique of time-of-flight mass spectroscopy, we obtain strong-field ionization yields for randomly oriented 1,2-dichloroethylene (1,2-DCE) (C 2H 2Cl 2) and 2-butene (C 4H 8). Here, we are interested in studying the effect of conformal structure in strong-field ionization and, in particular, the role of molecular polarity. That is, we can perform strong-field ionization studies in polar vs non-polar molecules that have the same chemical composition. Here, we report our findings through the ionization yields and the ratio (trans/cis) of each stereoisomer pair as a function of intensity.

Polarization-sensitive color in butterfly scales: polarization conversion from ridges with reflecting elements.

PubMed

Zhang, Ke; Tang, Yiwen; Meng, Jinsong; Wang, Ge; Zhou, Han; Fan, Tongxiang; Zhang, Di

2014-11-03

Polarization-sensitive color originates from polarization-dependent reflection or transmission, exhibiting abundant light information, including intensity, spectral distribution, and polarization. A wide range of butterflies are physiologically sensitive to polarized light, but the origins of polarized signal have not been fully understood. Here we systematically investigate the colorful scales of six species of butterfly to reveal the physical origins of polarization-sensitive color. Microscopic optical images under crossed polarizers exhibit their polarization-sensitive characteristic, and micro-structural characterizations clarify their structural commonality. In the case of the structural scales that have deep ridges, the polarization-sensitive color related with scale azimuth is remarkable. Periodic ridges lead to the anisotropic effective refractive indices in the parallel and perpendicular grating orientations, which achieves form-birefringence, resulting in the phase difference of two different component polarized lights. Simulated results show that ridge structures with reflecting elements reflect and rotate the incident p-polarized light into s-polarized light. The dimensional parameters and shapes of grating greatly affect the polarization conversion process, and the triangular deep grating extends the outstanding polarization conversion effect from the sub-wavelength period to the period comparable to visible light wavelength. The parameters of ridge structures in butterfly scales have been optimized to fulfill the polarization-dependent reflection for secret communication. The structural and physical origin of polarization conversion provides a more comprehensive perspective on the creation of polarization-sensitive color in butterfly wing scales. These findings show great potential in anti-counterfeiting technology and advanced optical material design.

Atomic-level structure characterization of biomass pre- and post-lignin treatment by dynamic nuclear polarization-enhanced solid-state NMR

DOE PAGES

Perras, Frederic A.; Luo, Hao; Zhang, Ximing; ...

2016-12-27

Here, lignocellulosic biomass is a promising sustainable feedstock for the production of biofuels, biomaterials, and biospecialty chemicals. However, efficient utilization of biomass has been limited by our poor understanding of its molecular structure. Here, we report a dynamic nuclear polarization (DNP)-enhanced solid-state (SS)NMR study of the molecular structure of biomass, both pre- and postcatalytic treatment. This technique enables the measurement of 2D homonuclear 13C– 13C correlation SSNMR spectra under natural abundance, yielding, for the first time, an atomic-level picture of the structure of raw and catalytically treated biomass samples. We foresee that further such experiments could be used to determinemore » structure–function relationships and facilitate the development of more efficient, and chemically targeted, biomass-conversion technologies.« less

Atomic-level structure characterization of biomass pre- and post-lignin treatment by dynamic nuclear polarization-enhanced solid-state NMR

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

Perras, Frederic A.; Luo, Hao; Zhang, Ximing

Here, lignocellulosic biomass is a promising sustainable feedstock for the production of biofuels, biomaterials, and biospecialty chemicals. However, efficient utilization of biomass has been limited by our poor understanding of its molecular structure. Here, we report a dynamic nuclear polarization (DNP)-enhanced solid-state (SS)NMR study of the molecular structure of biomass, both pre- and postcatalytic treatment. This technique enables the measurement of 2D homonuclear 13C– 13C correlation SSNMR spectra under natural abundance, yielding, for the first time, an atomic-level picture of the structure of raw and catalytically treated biomass samples. We foresee that further such experiments could be used to determinemore » structure–function relationships and facilitate the development of more efficient, and chemically targeted, biomass-conversion technologies.« less

Helicity evolution at small-x

DOE PAGES

Kovchegov, Yuri V.; Pitonyak, Daniel; Sievert, Matthew D.

2016-01-13

We construct small-x evolution equations which can be used to calculate quark and anti-quark helicity TMDs and PDFs, along with the g1 structure function. These evolution equations resum powers of α s ln 2(1/x) in the polarization-dependent evolution along with the powers of α s ln(1/x) in the unpolarized evolution which includes saturation efects. The equations are written in an operator form in terms of polarization-dependent Wilson line-like operators. While the equations do not close in general, they become closed and self-contained systems of non-linear equations in the large-N c and large-N c & N f limits. As a cross-check,more » in the ladder approximation, our equations map onto the same ladder limit of the infrared evolution equations for g 1 structure function derived previously by Bartels, Ermolaev and Ryskin.« less

Laser fabrication of perfect absorbers

NASA Astrophysics Data System (ADS)

Mizeikis, V.; Faniayeu, I.

2018-01-01

We describe design and characterization of electromagnetic metasurfaces consisting of sub-wavelength layers of artificially structured 3D metallic elements arranged into two-dimensional arrays. Such metasurfaces allow novel ways to control propagation, absorption, emission, and polarization state of electromagnetic waves, but their practical realization using traditional planar micro-/nano-fabrication techniques is extremely difficult at infra- red frequencies, where unit cell size must be reduced to few micrometers. We have addressed this challenge by using femtosecond direct laser write (DLW) technique as a high-resolution patterning tool for the fabrication of dielectric templates, followed by a simple metallization process. Functional metasurfaces consisting of metallic helices and vertical split-ring resonators that can be used as perfect absorbers and polarization converters at infra- red frequencies were obtained and characterized experimentally and theoretically. In the future they may find applications in narrow-band infra-red detectors and emitters, spectral filters, and combined into multi-functional, multi-layered structures.

New two-dimensional boron nitride allotropes with attractive electronic and optical properties

NASA Astrophysics Data System (ADS)

Shahrokhi, Masoud; Mortazavi, Bohayra; Berdiyorov, Golibjon R.

2017-03-01

Using first principles calculations, structural, electronic and optical properties of five new 2D boron nitride (BN) allotropes have been studied. The results exhibit that the cohesive energy for all these five new allotrope is positive such as all these systems are stable; therefore, it is possible to synthesize these structures in experiments. It is found that the band gap of all new 2D BN allotropes is smaller than the h-BN sheet. In our calculations the dielectric tensor is derived within the random phase approximation (RPA). Specifically, the dielectric function, refraction index and the loss function, of the 2D BN allotropes are calculated for both parallel and perpendicular electric field polarizations. The results show that the optical spectra are anisotropic along these two polarizations. The results obtained from our calculations are beneficial to practical applications of these 2D BN allotropes in optoelectronics and electronics.

Optical implementation of polarization-independent, bidirectional, nonblocking Clos network using polarization control technique in free space

NASA Astrophysics Data System (ADS)

Yang, Junbo; Yang, Jiankun; Li, Xiujian; Chang, Shengli; Su, Xianyu; Ping, Xu

2011-04-01

The clos network is one of the earliest multistage interconnection networks. Recently, it has been widely studied in parallel optical information processing systems, and there have been many efforts to develop this network. In this paper, a smart and compact Clos network, including Clos(2,3,2) and Clos(2,4,2), is proposed by using polarizing beam-splitters (PBS), phase spatial light modulators (PSLM), and mirrors. PBS features that are s-component (perpendicular to the incident plane) of the incident light beam is reflected, and the p-component (parallel to the incident plane) passes through it. According to switching logic, under control of external electrical signals, PSLM functions to control routing paths of the signal beams, i.e., the polarization of each optical signal is rotated or not rotated 90° by a programmable PSLM. This new type of configuration grants the features of less optical components, compact in structure, efficient in performance, and insensitive to polarization of signal beam. In addition, the straight, the exchange, and the broadcast functions of the basic switch element are implemented bidirectionally in free-space. Furthermore, the new optical experimental module of 2×3 and 2×4 optical switch is also presented by a cascading polarization-independent bidirectional 2×2 optical switch. Simultaneously, the routing state-table of 2×3 and 2×4 optical switch to perform all permutation output and nonblocking switch for the input signal beam, is achieved. Since the proposed optical setup consists of only optical polarization elements, it is compact in structure, and possesses a low energy loss, a high signal-to-ratio, and an available large number of optical channels. Finally, the discussions and the experimental results show that the Clos network proposed here should be helpful in the design of large-scale network matrix, and may be used in optical communication and optical information processing.

Structural, Electronic and Dynamical Properties of Curium Monopnictides: Density Functional Calculations

NASA Astrophysics Data System (ADS)

Roondhe, Basant; Upadhyay, Deepak; Som, Narayan; Pillai, Sharad B.; Shinde, Satyam; Jha, Prafulla K.

2017-03-01

The structural, electronic, dynamical and thermodynamical properties of CmX (X = N, P, As, Sb, and Bi) compounds are studied using first principles calculations within density functional theory. The Perdew-Burke-Ernzerhof spin polarized generalized gradient approximation and Perdew-Wang (PW) spin polarized local density approximation as the exchange correlational functionals are used in these calculations. There is a good agreement between the present and previously reported data. The calculated electronic density of states suggests that the curium monopnictides are metallic in nature, which is consistent with earlier studies. The significant values of magnetic moment suggest their magnetic nature. The phonon dispersion curves and phonon density of states are also calculated, which depict the dynamical stability of these compounds. There is a significant separation between the optical and acoustical phonon branches. The temperature dependence of the thermodynamical functions are also calculated and discussed. Internal energy and vibrational contribution to the Helmholtz free energy increases and decreases, respectively, with temperature. The entropy increases with temperature. The specific heat at constant volume and Debye temperature obey Debye theory. The temperature variation of the considered thermodynamical functions is in line with those of other crystalline solids.

Molecular structure and spectroscopic investigation of sodium(E)-2-hydroxy-5-((4-sulfonatophenyl)diazenyl)benzoate: A DFT study

NASA Astrophysics Data System (ADS)

Shahab, Siyamak; Kumar, Rakesh; Darroudi, Mahdieh; Yousefzadeh Borzehandani, Mostafa

2015-03-01

Quantum-chemical calculations using the Density Functional Theory (DFT) approach for structural analysis of new azodye sodium(E)-2-hydroxy-5-((4-sulfonatophenyl)diazenyl) (trans isomer) is carried out using B3LYP methods with 6-31G∗ basis set. The comparison of measured UV-Vis data, IR and NMR spectra of the molecule with the experimental data were also described which allowed assignment of major spectral features of title molecule. The optimized geometrical parameters obtained by B3LYP methods show a good agreement with experimental data. On the basis of polyvinyl alcohol (PVA) and the dichroic synthesized dye polarizer absorbing in the UV region of the spectrum (λmax = 353 nm) with the effect of polarization in the absorption maximum 96% was developed. The spectral-polarization parameters of stretched PVA-films were calculated.

Sensitive Phonon-Based Probe for Structure Identification of 1T' MoTe 2

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

Zhou, Lin; Huang, Shengxi; Tatsumi, Yuki

In this work, by combining transmission electron microscopy and polarized Raman spectroscopy for the 1T' MoTe 2 flakes with different thicknesses, we found that the polarization dependence of Raman intensity is given as a function of excitation laser wavelength, phonon symmetry, and phonon frequency, but has weak dependence on the flake thickness from few-layer to multilayer. Additionally, the frequency of Raman peaks and the relative Raman intensity are sensitive to flake thickness, which manifests Raman spectroscopy as an effective probe for thickness of 1T' MoTe 2. This work demonstrates that polarized Raman spectroscopy is a powerful and nondestructive method tomore » quickly identify the crystal structure and thickness of 1T' MoTe 2 simultaneously, which opens up opportunities for the in situ probe of anisotropic properties and broad applications of this novel material.« less

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

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

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

Sensitive Phonon-Based Probe for Structure Identification of 1T' MoTe 2

DOE PAGES

Zhou, Lin; Huang, Shengxi; Tatsumi, Yuki; ...

2017-05-25

In this work, by combining transmission electron microscopy and polarized Raman spectroscopy for the 1T' MoTe 2 flakes with different thicknesses, we found that the polarization dependence of Raman intensity is given as a function of excitation laser wavelength, phonon symmetry, and phonon frequency, but has weak dependence on the flake thickness from few-layer to multilayer. Additionally, the frequency of Raman peaks and the relative Raman intensity are sensitive to flake thickness, which manifests Raman spectroscopy as an effective probe for thickness of 1T' MoTe 2. This work demonstrates that polarized Raman spectroscopy is a powerful and nondestructive method tomore » quickly identify the crystal structure and thickness of 1T' MoTe 2 simultaneously, which opens up opportunities for the in situ probe of anisotropic properties and broad applications of this novel material.« less

Functional Reflective Polarizer for Augmented Reality and Color Vision Deficiency

DTIC Science & Technology

2016-03-03

Functional reflective polarizer for augmented reality and color vision deficiency Ruidong Zhu, Guanjun Tan, Jiamin Yuan, and Shin-Tson Wu* College...polarizer that can be incorporated into a compact augmented reality system. The design principle of the functional reflective polarizer is explained and...augment reality system is relatively high as compared to a polarizing beam splitter or a conventional reflective polarizer. Such a functional reflective

Tuning the Two-Dimensional Electron Liquid at Oxide Interfaces by Buffer-Layer-Engineered Redox Reactions.

PubMed

Chen, Yunzhong; Green, Robert J; Sutarto, Ronny; He, Feizhou; Linderoth, Søren; Sawatzky, George A; Pryds, Nini

2017-11-08

Polar discontinuities and redox reactions provide alternative paths to create two-dimensional electron liquids (2DELs) at oxide interfaces. Herein, we report high mobility 2DELs at interfaces involving SrTiO 3 (STO) achieved using polar La 7/8 Sr 1/8 MnO 3 (LSMO) buffer layers to manipulate both polarities and redox reactions from disordered overlayers grown at room temperature. Using resonant X-ray reflectometry experiments, we quantify redox reactions from oxide overlayers on STO as well as polarity induced electronic reconstruction at epitaxial LSMO/STO interfaces. The analysis reveals how these effects can be combined in a STO/LSMO/disordered film trilayer system to yield high mobility modulation doped 2DELs, where the buffer layer undergoes a partial transformation from perovskite to brownmillerite structure. This uncovered interplay between polar discontinuities and redox reactions via buffer layers provides a new approach for the design of functional oxide interfaces.

A Precision Measurement of the Spin Structure Function g{sub 1}(x,Q{sup 2}) for the Proton and Deuteron

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

Mitchell, Gregory

A precision measurement of the spin structure function g{sub 1}(x,Q{sup 2}) for both the proton and deuteron was made using deep inelastic scattering of the 48.35 GeV polarized electron beam at the Stanford Linear Accelerator Center. The kinematic range of the measurement was 0.014 < x < 0.9 and 1 (GeV/c){sup 2} < Q{sup 2} < 40 (GeV/c){sup 2}. Solid {sup 15}NH{sub 3} and {sup 6}Li{sup 2}H were used as target materials. The beam polarization of 0.81 {+-} 0.02 was measured using Moeller polarimetry. The scattered electron events were accumulated in three magnetic spectrometers at fixed angles of 2.75{sup o},more » 5.5{sup o}, and 10.5{sup o}. Data were obtained with the target polarization direction both parallel and transverse to the beam direction. Together with existing world data, the g{sub 1}(x,Q{sup 2}) results were fit in a well-established next-to-leading order QCD formalism, and are consistent with the Bjorken sum rule.« less

Detailed analysis of evolution of the state of polarization in all-fiber polarization transformers.

PubMed

Zhu, Xiushan; Jain, Ravinder K

2006-10-30

We present a detailed analysis of key attributes and performance characteristics of controllably-spun birefringent-fiber-based all-fiber waveplates or "all fiber polarization transformers" (AFPTs), first proposed and demonstrated by Huang [11]; these AFPTs consist essentially of a long carefully-designed "spin-twisted" high-birefringence fiber, fabricated by slowly varying the spin rate of a birefringent fiber preform (either from very fast to very slow or vice versa) while the fiber is being drawn. The evolution of the eigenstate from a linear polarization state to a circular polarization state, induced by slow variation of the intrinsic structure from linear anisotropy at the unspun end to circular anisotropy at the fast-spun end, enables the AFPT to behave like an all-fiber quarter-wave plate independent of the wavelength of operation. Power coupling between local eigenstates causes unique evolution of the polarization state along the fiber, and has been studied to gain insight into - as well as to understand detailed characteristics of -- the polarization transformation behavior. This has been graphically illustrated via plots of the relative power in these local eigenstates as a function of distance along the length of the fiber and plots of the extinction ratio of the output state of polarization (SOP) as a function of distance and the normalized spin rate. Deeper understanding of such polarization transformers has been further elucidated by quantitative calculations related to two crucial requirements for fabricating practical AFPT devices. Our calculations have also indicated that the polarization mode dispersion behaviour of the AFPT is much smaller than that of the original birefringent fiber. Finally, a specific AFPT was experimentally investigated at two widely-separated wavelengths (1310 nm and 1550 nm) of interest in telecommunications systems applications, further demonstrating and elucidating the broadband character of such AFPTs.

Three-dimensional imaging of vortex structure in a ferroelectric nanoparticle driven by an electric field.

PubMed

Karpov, D; Liu, Z; Rolo, T Dos Santos; Harder, R; Balachandran, P V; Xue, D; Lookman, T; Fohtung, E

2017-08-17

Topological defects of spontaneous polarization are extensively studied as templates for unique physical phenomena and in the design of reconfigurable electronic devices. Experimental investigations of the complex topologies of polarization have been limited to surface phenomena, which has restricted the probing of the dynamic volumetric domain morphology in operando. Here, we utilize Bragg coherent diffractive imaging of a single BaTiO 3 nanoparticle in a composite polymer/ferroelectric capacitor to study the behavior of a three-dimensional vortex formed due to competing interactions involving ferroelectric domains. Our investigation of the structural phase transitions under the influence of an external electric field shows a mobile vortex core exhibiting a reversible hysteretic transformation path. We also study the toroidal moment of the vortex under the action of the field. Our results open avenues for the study of the structure and evolution of polar vortices and other topological structures in operando in functional materials under cross field configurations.Imaging of topological states of matter such as vortex configurations has generally been limited to 2D surface effects. Here Karpov et al. study the volumetric structure and dynamics of a vortex core mediated by electric-field induced structural phase transition in a ferroelectric BaTiO 3 nanoparticle.

Reflection type metasurface designed for high efficiency vectorial field generation

NASA Astrophysics Data System (ADS)

Wang, Shiyi; Zhan, Qiwen

2016-07-01

We propose a reflection type metal-insulator-metal (MIM) metasurface composed of hybrid nano-antennas for comprehensive spatial engineering of the properties of optical fields. The capability of such structure is illustrated in the design of a device that can be used to produce a radially polarized vectorial beam for optical needle field generation. This device consists of uniformly segmented sectors of high efficiency MIM metasurface. With each of the segment sector functioning as a local quarter-wave-plate (QWP), the device is designed to convert circularly polarized incidence into local linear polarization to create an overall radial polarization with corresponding binary phases and extremely high dynamic range amplitude modulation. The capability of such devices enables the generation of nearly arbitrarily complex optical fields that may find broad applications that transcend disciplinary boundaries.

Nonlinear Polarimetric Microscopy for Biomedical Imaging

NASA Astrophysics Data System (ADS)

Samim, Masood

A framework for the nonlinear optical polarimetry and polarimetric microscopy is developed. Mathematical equations are derived in terms of linear and nonlinear Stokes Mueller formalism, which comprehensively characterize the polarization properties of the incoming and outgoing radiations, and provide structural information about the organization of the investigated materials. The algebraic formalism developed in this thesis simplifies many predictions for a nonlinear polarimetry study and provides an intuitive understanding of various polarization properties for radiations and the intervening medium. For polarimetric microscopy experiments, a custom fast-scanning differential polarization microscope is developed, which is also capable of real-time three-dimensional imaging. The setup is equipped with a pair of high-speed resonant and galvanometric scanning mirrors, and supplemented by advanced adaptive optics and data acquisition modules. The scanning mirrors when combined with the adaptive optics deformable mirror enable fast 3D imaging. Deformable membrane mirrors and genetic algorithm optimization routines are employed to improve the imaging conditions including correcting the optical aberrations, maximizing signal intensities, and minimizing point-spread-functions of the focal volume. A field-programmable-gate array (FPGA) chip is exploited to rapidly acquire and process the multidimensional data. Using the nonlinear optical polarimetry framework and the home-built polarization microscope, a few biologically important tissues are measured and analyzed to gain insight as to their structure and dynamics. The structure and distribution of muscle sarcomere myosins, connective tissue collagen, carbohydrate-rich starch, and fruit fly eye retinal molecules are characterized with revealing polarization studies. In each case, using the theoretical framework, polarization sensitive data are analyzed to decipher the molecular orientations and nonlinear optical susceptibilities. The developed nonlinear optical polarimetric microscopy is applicable to a wide variety of structural studies on ordered materials, and provides a non-invasive possibility to study the structural organization and dynamics within biological samples. For example, the technique is well suited for studies of a muscle contraction, histopathology of collagen structure for cancer tissue diagnostics, investigations of the polysacharide structural organization within a starch granule of a plant, or developmental study of the retina in an eye, among other applications.

Near-infrared light-controlled regulation of intracellular calcium to modulate macrophage polarization.

PubMed

Kang, Heemin; Zhang, Kunyu; Wong, Dexter Siu Hong; Han, Fengxuan; Li, Bin; Bian, Liming

2018-04-21

Macrophages are multifunctional immune cells with diverse physiological functions such as fighting against infection, influencing progression of pathologies, maintaining homeostasis, and regenerating tissues. Macrophages can be induced to adopt distinct polarized phenotypes, such as classically activated pro-inflammatory (M1) phenotypes or alternatively activated anti-inflammatory and pro-healing (M2), to execute diverse and dynamic immune functions. However, unbalanced polarizations of macrophage can lead to various pathologies, such as atherosclerosis, obesity, tumor, and asthma. Thus, the capability to remotely control macrophage phenotypes is important to the success of treating many pathological conditions involving macrophages. In this study, we developed an upconversion nanoparticle (UCNP)-based photoresponsive nanocarrier for near-infrared (NIR) light-mediated control of intracellular calcium levels to regulate macrophage polarization. UCNP was coated with mesoporous silica (UCNP@mSiO 2 ), into which loaded calcium regulators that can either supply or deplete calcium ions. UCNP@mSiO 2 was chemically modified through serial coupling of photocleavable linker and Arg-Gly-Asp (RGD) peptide-bearing molecular cap via cyclodextrin-adamantine host-guest complexation. The RGD-bearing cap functioned as the photolabile gating structure to control the release of calcium regulators and facilitated the cellular uptake of UCNP@mSiO 2 nanocarrier. The upconverted UV light emission from the UCNP@mSiO 2 under NIR light excitation triggered the cleavage of cap and intracellular release of calcium regulators, thereby allowing temporal regulation on the intracellular calcium levels. Application of NIR light through skin tissue promoted M1 or M2 polarization of macrophages, by elevating or depleting intracellular calcium levels, respectively. To the best of our knowledge, this is the first demonstration of NIR light-mediated remote control on macrophage polarization. This photoresponsive nanocarrier offers the potential to remotely manipulate in vivo immune functions, such as inflammation or tissue regeneration, via NIR light-controlled macrophage polarization. Copyright © 2018 Elsevier Ltd. All rights reserved.

Silicon nanofin grating as a miniature chirality-distinguishing beam-splitter.

PubMed

Khorasaninejad, Mohammadreza; Crozier, Kenneth B

2014-11-12

The polarization of light plays a central role in its interaction with matter, in situations ranging from familiar (for example, reflection and transmission at an interface) to sophisticated (for example, nonlinear optics). Polarization control is therefore pivotal for many optical systems, and achieved using bulk devices such as wave-plates and beam-splitters. The move towards optical system miniaturization therefore motivates the development of micro- and nanostructures for polarization control. For such control to be complete, one must distinguish not only between linear polarizations, but also between left- and right-circular polarizations. Some previous works used surface plasmons to this end, but these are inherently lossy. Other works used complex-layered structures. Here we demonstrate a planar dielectric chirality-distinguishing beam-splitter. The beam-splitter consists of amorphous silicon nanofins on a glass substrate and deflects left- and right-circularly polarized beams into different directions. Contrary to intuitive expectations, we utilize an achiral architecture to realize a chiral beam-splitting functionality.

Photo-induced spin and valley-dependent Seebeck effect in the low-buckled Dirac materials

NASA Astrophysics Data System (ADS)

Mohammadi, Yawar

2018-04-01

Employing the Landauer-Buttiker formula we investigate the spin and valley dependence of Seebeck effect in low-buckled Dirac materials (LBDMs), whose band structure are modulated by local application of a gate voltage and off-resonant circularly polarized light. We calculate the charge, spin and valley Seebeck coefficients of an irradiated LBDM as functions of electronic doping, light intensity and the amount of the electric field in the linear regime. Our calculation reveal that all Seebeck coefficients always shows an odd features with respect to the chemical potential. Moreover, we show that, due to the strong spin-orbit coupling in the LBDMs, the induced thermovoltage in the irradiated LBDMs is spin polarized, and can also become valley polarized if the gate voltage is applied too. It is also found that the valley (spin) polarization of the induced thermovoltage could be inverted by reversing the circular polarization of light or reversing the direction the electric field (only by reversing the circular polarization of light).

Topologically trivial and nontrivial edge bands in graphene induced by irradiation

NASA Astrophysics Data System (ADS)

Yang, Mou; Cai, Zhi-Jun; Wang, Rui-Qiang; Bai, Yan-Kui

2016-08-01

We proposed a minimal model to describe the Floquet band structure of two-dimensional materials with light-induced resonant inter-band transition. We applied it to graphene to study the band features caused by the light irradiation. Linearly polarized light induces pseudo gaps (gaps are functions of wavevector), and circularly polarized light causes real gaps on the quasi-energy spectrum. If the polarization of light is linear and along the longitudinal direction of zigzag ribbons, flat edge bands appear in the pseudo gaps, and if it is in the lateral direction of armchair ribbons, curved edge bands can be found. For the circularly polarized cases, edge bands arise and intersect in the gaps of both types of ribbons. The edge bands induced by the circularly polarized light are helical and those by linearly polarized light are topologically trivial ones. The Chern number of the Floquet band, which reflects the number of pairs of helical edge bands in graphene ribbons, can be reduced into the winding number at resonance.

Microwave birefringent metamaterials for polarization conversion based on spoof surface plasmon polariton modes

PubMed Central

Li, Yongfeng; Zhang, Jieqiu; Ma, Hua; Wang, Jiafu; Pang, Yongqiang; Feng, Dayi; Xu, Zhuo; Qu, Shaobo

2016-01-01

We propose the design of wideband birefringent metamaterials based on spoof surface plasmon polaritons (SSPPs). Spatial k-dispersion design of SSPP modes in metamaterials is adopted to achieve high-efficiency transmission of electromagnetic waves through the metamaterial layer. By anisotropic design, the transmission phase accumulation in metamaterials can be independently modulated for x- and y-polarized components of incident waves. Since the dispersion curve of SSPPs is nonlinear, frequency-dependent phase differences can be obtained between the two orthogonal components of transmitted waves. As an example, we demonstrate a microwave birefringent metamaterials composed of fishbone structures. The full-polarization-state conversions on the zero-longitude line of Poincaré sphere can be fulfilled twice in 6–20 GHz for both linearly polarized (LP) and circularly polarized (CP) waves incidence. Besides, at a given frequency, the full-polarization-state conversion can be achieved by changing the polarization angle of the incident LP waves. Both the simulation and experiment results verify the high-efficiency polarization conversion functions of the birefringent metamaterial, including circular-to-circular, circular-to-linear(linear-to-circular), linear-to-linear polarization conversions. PMID:27698443

A quark model analysis of the transversity distribution

NASA Astrophysics Data System (ADS)

Scopetta, Sergio; Vento, Vicente

1998-04-01

The feasibility of measuring chiral-odd parton distribution functions in polarized Drell-Yan and semi-inclusive experiments has renewed theoretical interest in their study. Models of hadron structure have proven successful in describing the gross features of the chiral-even structure functions. Similar expectations motivated our study of the transversity parton distributions in the Isgur-Karl and MIT bag models. We confirm, by performing a NLO calculation, the diverse low x behaviors of the transversity and spin structure functions at the experimental scale and show that it is fundamentally a consequence of the different behaviors under evolution of these functions. The inequalities of Soffer establish constraints between data and model calculations of the chiral-odd transversity function. The approximate compatibility of our model calculations with these constraints confers credibility to our estimates.

Dielectric Properties of Piezoelectric Polyimides

NASA Technical Reports Server (NTRS)

Ounaies, Z.; Young, J. A.; Simpson, J. O.; Farmer, B. L.

1997-01-01

Molecular modeling and dielectric measurements are being used to identify mechanisms governing piezoelectric behavior in polyimides such as dipole orientation during poling, as well as degree of piezoelectricity achievable. Molecular modeling on polyimides containing pendant, polar nitrile (CN) groups has been completed to determine their remanent polarization. Experimental investigation of their dielectric properties evaluated as a function of temperature and frequency has substantiated numerical predictions. With this information in hand, we are then able to suggest changes in the molecular structures, which will then improve upon the piezoelectric response.

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

NASA Astrophysics Data System (ADS)

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

2018-07-01

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

Retrieval of Aerosol Phase Function and Polarized Phase Function from Polarization of Skylight for Different Observation Geometries

NASA Astrophysics Data System (ADS)

Li, L.; Qie, L. L.; Xu, H.; Li, Z. Q.

2018-04-01

The phase function and polarized phase function are important optical parameters, which describe scattering properties of atmospheric aerosol particles. Polarization of skylight induced by the scattering processes is sensitive to the scattering properties of aerosols. The Stokes parameters I, Q, U and the polarized radiance Lp of skylight measured by the CIMEL dual-polar sun-sky radiometer CE318- DP can be use to retrieve the phase function and polarized phase function, respectively. Two different observation geometries (i.e., the principal plane and almucantar) are preformed by the CE318-DP to detect skylight polarization. Polarization of skylight depends on the illumination and observation geometries. For the same solar zenith angle, retrievals of the phase function and the polarized phase function are still affected by the observation geometry. The performance of the retrieval algorithm for the principal plane and almucantar observation geometries was assessed by the numerical experiments at two typical high and low sun's positions (i.e. solar zenith angles are equal to 45° and 65°). Comparing the results for the principal plane and almucantar geometries, it is recommended to utilize the principal plane observations to retrieve the phase function when the solar zenith angle is small. The Stokes parameter U and the polarized radiance Lp from the almucantar observations are suggested to retrieve the polarized phase function, especially for short wavelength channels (e.g., 440 and 500 nm).

Explicit polarization (X-Pol) potential using ab initio molecular orbital theory and density functional theory.

PubMed

Song, Lingchun; Han, Jaebeom; Lin, Yen-lin; Xie, Wangshen; Gao, Jiali

2009-10-29

The explicit polarization (X-Pol) method has been examined using ab initio molecular orbital theory and density functional theory. The X-Pol potential was designed to provide a novel theoretical framework for developing next-generation force fields for biomolecular simulations. Importantly, the X-Pol potential is a general method, which can be employed with any level of electronic structure theory. The present study illustrates the implementation of the X-Pol method using ab initio Hartree-Fock theory and hybrid density functional theory. The computational results are illustrated by considering a set of bimolecular complexes of small organic molecules and ions with water. The computed interaction energies and hydrogen bond geometries are in good accord with CCSD(T) calculations and B3LYP/aug-cc-pVDZ optimizations.

Synthesis of biphenyl derivative and its application as dichroic materials in poly (vinyl alcohol) polarizing films

NASA Astrophysics Data System (ADS)

Shahab, Siyamak; Almodarresiyeh, Hora A.; Filippovich, Ljudmila; Kumar, Rakesh; Darroudi, Mahdieh; Hajikolaee, Fatemeh Haji

2016-03-01

In the present work, first time on the basis of polyvinyl alcohol (PVA) and new designed structure (Potassium 2,2‧-([1,1‧-biphenyl]-4,4‧-diylbis(azanediyl))diacetate) (I) thermostable polarizing film was created. The structure (I) was first modeled and then synthesized and obtained polarizing film absorbing at λmax = 300 nm used for electronic applications. Polarizing efficiency (PE) of polarizing film is 96% at stretching degree (Rs) 4.0. On the basis of PVA, Potassium 2,2‧-([1,1‧-biphenyl]-4,4‧-diylbis(azanediyl))diacetate (I), Sodium 2-hydroxy-5-((2-methoxy-4-((4-sulfonatophenyl)diazenyl)phenyl)diazenyl)benzoate (II) and commercial dye (Congo Red) thermostable polarizing film for wide spectral range of spectrum (λmax = 288-561 nm) was developed. During the work it was established that oriented PVA-films is phenomenon of anisotropy of thermal conductivity (λ||/λ⊥). It is very important for creation of thermostable polarizing films. Thermal conductivity in a direction of orientation (λ||) is higher than in a direction perpendicular orientations (λ⊥). The optimization of the molecule (1) was carried out by Density Functional Theory (DFT) using B3LYP/6-311 + G* method. Electronic absorption spectrum of the molecule (I) in dimethylformamide (DMF) solution was calculated using TDB3LYP/6-311 + G* level. The nature of absorption bands in the UV spectral region was interpreted.

Valley dependent transport in graphene L junction

NASA Astrophysics Data System (ADS)

Chan, K. S.

2018-05-01

We studied the valley dependent transport in graphene L junctions connecting an armchair lead and a zigzag lead. The junction can be used in valleytronic devices and circuits. Electrons injected from the armchair lead into the junction is not valley polarized, but they can become valley polarized in the zigzag lead. There are Fermi energies, where the current in the zigzag lead is highly valley polarized and the junction is an efficient generator of valley polarized current. The features of the valley polarized current depend sensitively on the widths of the two leads, as well as the number of dimers in the armchair lead, because this number has a sensitive effect on the band structure of the armchair lead. When an external potential is applied to the junction, the energy range with high valley polarization is enlarged enhancing its function as a generator of highly valley polarized current. The scaling behavior found in other graphene devices is also found in L junctions, which means that the results presented here can be extended to junctions with larger dimensions after appropriate scaling of the energy.

Enhancement of optical polarization degree of AlGaN quantum wells by using staggered structure.

PubMed

Wang, Weiying; Lu, Huimin; Fu, Lei; He, Chenguang; Wang, Mingxing; Tang, Ning; Xu, Fujun; Yu, Tongjun; Ge, Weikun; Shen, Bo

2016-08-08

Staggered AlGaN quantum wells (QWs) are designed to enhance the transverse-electric (TE) polarized optical emission in deep ultraviolet (DUV) light- emitting diodes (LED). The optical polarization properties of the conventional and staggered AlGaN QWs are investigated by a theoretical model based on the k·p method as well as polarized photoluminescence (PL) measurements. Based on an analysis of the valence subbands and momentum matrix elements, it is found that AlGaN QWs with step-function-like Al content in QWs offers much stronger TE polarized emission in comparison to that from conventional AlGaN QWs. Experimental results show that the degree of the PL polarization at room temperature can be enhanced from 20.8% of conventional AlGaN QWs to 40.2% of staggered AlGaN QWs grown by MOCVD, which is in good agreement with the theoretical simulation. It suggests that polarization band engineering via staggered AlGaN QWs can be well applied in high efficiency AlGaN-based DUV LEDs.

Identifying the distinct features of geometric structures for hole trapping to generate radicals on rutile TiO₂(110) in photooxidation using density functional theory calculations with hybrid functional.

PubMed

Wang, Dong; Wang, Haifeng; Hu, P

2015-01-21

Using density functional theory calculations with HSE 06 functional, we obtained the structures of spin-polarized radicals on rutile TiO2(110), which is crucial to understand the photooxidation at the atomic level, and further calculate the thermodynamic stabilities of these radicals. By analyzing the results, we identify the structural features for hole trapping in the system, and reveal the mutual effects among the geometric structures, the energy levels of trapped hole states and their hole trapping capacities. Furthermore, the results from HSE 06 functional are compared to those from DFT + U and the stability trend of radicals against the number of slabs is tested. The effect of trapped holes on two important steps of the oxygen evolution reaction, i.e. water dissociation and the oxygen removal, is investigated and discussed.

Broadband asymmetric transmission of linearly polarized electromagnetic waves based on chiral metamaterial

NASA Astrophysics Data System (ADS)

Stephen, Lincy; Yogesh, N.; Subramanian, V.

2018-01-01

The giant optical activity of chiral metamaterials (CMMs) holds great potential for tailoring the polarization state of an electromagnetic (EM) wave. In controlling the polarization state, the aspect of asymmetric transmission (AT), where a medium allows the EM radiation to pass through in one direction while restricting it in the opposite direction, adds additional degrees of freedom such as one-way channelling functionality. In this work, a CMM formed by a pair of mutually twisted slanted complementary metal strips is realized for broadband AT accompanied with cross-polarization (CP) conversion for linearly polarized EM waves. Numerically, the proposed ultra-thin (˜λ/42) CMM shows broadband AT from 8.58 GHz to 9.73 GHz (bandwidth of 1.15 GHz) accompanied with CP transmission magnitude greater than 0.9. The transmission and reflection spectra reveal the origin of the asymmetric transmission as the direction sensitive cross polarization conversion and anisotropic electric coupling occurring in the structure which is then elaborated with the surface current analysis and electric field distribution within the structure. An experiment is carried out to verify the broadband AT based CP conversion of the proposed CMM at microwave frequencies, and a reliable agreement between numerical and experimental results is obtained. Being ultra-thin, the reported broadband AT based CP conversion of the proposed CMM is useful for controlling radiation patterns in non-reciprocal EM devices and communication networks.

MoTea4-Mediated Polarized Growth Is Essential for Proper Asexual Development and Pathogenesis in Magnaporthe oryzae▿†

PubMed Central

Patkar, Rajesh N.; Suresh, Angayarkanni; Naqvi, Naweed I.

2010-01-01

Polarized growth is essential for cellular development and function and requires coordinated organization of the cytoskeletal elements. Tea4, an important polarity determinant, regulates localized F-actin assembly and bipolar growth in fission yeast and directional mycelial growth in Aspergillus. Here, we characterize Tea4 in the rice blast fungus Magnaporthe oryzae (MoTea4). Similar to its orthologs, MoTea4-green fluorescent protein (MoTea4-GFP) showed punctate distribution confined to growth zones, particularly in the mycelial tips, aerial hyphae, conidiophores, conidia, and infection structures (appressoria) in Magnaporthe. MoTea4 was dispensable for vegetative growth in Magnaporthe. However, loss of MoTea4 led to a zigzag morphology in the aerial hyphae and a huge reduction in conidiation. The majority of the tea4Δ conidia were two celled, as opposed to the tricellular conidia in the wild type. Structure-function analysis indicated that the SH3 and coiled-coil domains of MoTea4 are necessary for proper conidiation in Magnaporthe. The tea4Δ conidia failed to produce proper appressoria and consequently failed to infect the host plants. The tea4Δ conidia and germ tubes showed disorganized F-actin structures with significantly reduced numbers of cortical actin patches. Compared to the wild-type conidia, the tea4Δ conidia showed aberrant germination, poor cytoplasmic streaming, and persistent accumulation of lipid droplets, likely due to the impaired F-actin cytoskeleton. Latrunculin A treatment of germinating wild-type conidia showed that an intact F-actin cytoskeleton is indeed essential for appressorial development in Magnaporthe. We show that MoTea4 plays an important role in organizing the F-actin cytoskeleton and is essentially required for polarized growth and morphogenesis during asexual and pathogenic development in Magnaporthe. PMID:20472691

The polarization modulation and fabrication method of two dimensional silica photonic crystals based on UV nanoimprint lithography and hot imprint

PubMed Central

Guo, Shuai; Niu, Chunhui; Liang, Liang; Chai, Ke; Jia, Yaqing; Zhao, Fangyin; Li, Ya; Zou, Bingsuo; Liu, Ruibin

2016-01-01

Based on a silica sol-gel technique, highly-structurally ordered silica photonic structures were fabricated by UV lithography and hot manual nanoimprint efforts, which makes large-scale fabrication of silica photonic crystals easy and results in low-cost. These photonic structures show perfect periodicity, smooth and flat surfaces and consistent aspect ratios, which are checked by scanning electron microscopy (SEM) and atomic force microscopy (AFM). In addition, glass substrates with imprinted photonic nanostructures show good diffraction performance in both transmission and reflection mode. Furthermore, the reflection efficiency can be enhanced by 5 nm Au nanoparticle coating, which does not affect the original imprint structure. Also the refractive index and dielectric constant of the imprinted silica is close to that of the dielectric layer in nanodevices. In addition, the polarization characteristics of the reflected light can be modulated by stripe nanostructures through changing the incident light angle. The experimental findings match with theoretical results, making silica photonic nanostructures functional integration layers in many optical or optoelectronic devices, such as LED and microlasers to enhance the optical performance and modulate polarization properties in an economical and large-scale way. PMID:27698465

The polarization modulation and fabrication method of two dimensional silica photonic crystals based on UV nanoimprint lithography and hot imprint.

PubMed

Guo, Shuai; Niu, Chunhui; Liang, Liang; Chai, Ke; Jia, Yaqing; Zhao, Fangyin; Li, Ya; Zou, Bingsuo; Liu, Ruibin

2016-10-04

Based on a silica sol-gel technique, highly-structurally ordered silica photonic structures were fabricated by UV lithography and hot manual nanoimprint efforts, which makes large-scale fabrication of silica photonic crystals easy and results in low-cost. These photonic structures show perfect periodicity, smooth and flat surfaces and consistent aspect ratios, which are checked by scanning electron microscopy (SEM) and atomic force microscopy (AFM). In addition, glass substrates with imprinted photonic nanostructures show good diffraction performance in both transmission and reflection mode. Furthermore, the reflection efficiency can be enhanced by 5 nm Au nanoparticle coating, which does not affect the original imprint structure. Also the refractive index and dielectric constant of the imprinted silica is close to that of the dielectric layer in nanodevices. In addition, the polarization characteristics of the reflected light can be modulated by stripe nanostructures through changing the incident light angle. The experimental findings match with theoretical results, making silica photonic nanostructures functional integration layers in many optical or optoelectronic devices, such as LED and microlasers to enhance the optical performance and modulate polarization properties in an economical and large-scale way.

Correlative STED and Atomic Force Microscopy on Live Astrocytes Reveals Plasticity of Cytoskeletal Structure and Membrane Physical Properties during Polarized Migration

PubMed Central

Curry, Nathan; Ghézali, Grégory; Kaminski Schierle, Gabriele S.; Rouach, Nathalie; Kaminski, Clemens F.

2017-01-01

The plasticity of the cytoskeleton architecture and membrane properties is important for the establishment of cell polarity, adhesion and migration. Here, we present a method which combines stimulated emission depletion (STED) super-resolution imaging and atomic force microscopy (AFM) to correlate cytoskeletal structural information with membrane physical properties in live astrocytes. Using STED compatible dyes for live cell imaging of the cytoskeleton, and simultaneously mapping the cell surface topology with AFM, we obtain unprecedented detail of highly organized networks of actin and microtubules in astrocytes. Combining mechanical data from AFM with optical imaging of actin and tubulin further reveals links between cytoskeleton organization and membrane properties. Using this methodology we illustrate that scratch-induced migration induces cytoskeleton remodeling. The latter is caused by a polarization of actin and microtubule elements within astroglial cell processes, which correlates strongly with changes in cell stiffness. The method opens new avenues for the dynamic probing of the membrane structural and functional plasticity of living brain cells. It is a powerful tool for providing new insights into mechanisms of cell structural remodeling during physiological or pathological processes, such as brain development or tumorigenesis. PMID:28469559

Optical coherence tomography of dental structures

NASA Astrophysics Data System (ADS)

Baumgartner, Angela; Hitzenberger, Christoph K.; Dichtl, Sabine; Sattmann, Harald; Moritz, Andreas; Sperr, Wolfgang; Fercher, Adolf F.

1998-04-01

In the past ten years Partial Coherence Interferometry (PCI) and Optical Coherence Tomography (OCT) have been successfully developed for high precision biometry and tomography of biological tissues. OCT employs the partial coherence properties of a superluminescent diode and the Doppler principle yielding resolution and precision figures of the order of a few microns. Presently, the main application fields of this technique are biometry and imaging of ocular structures in vivo, as well as its clinical use in dermatology and endoscopic applications. This well established length measuring and imaging technique has now been applied to dentistry. First in vitro OCT images of the cemento (dentine) enamel junction of extracted sound and decayed human teeth have been recorded. These images distinguish dentine and enamel structures that are important for assessing enamel thickness and diagnosing caries. Individual optical A-Scans show that the penetration depth into enamel is considerably larger than into dentine. First polarization sensitive OCT recordings show localized changes of the polarization state of the light backscattered by dental material. Two-dimensional maps of the magnitude of the interference intensity and of the total phase difference between two orthogonal polarization states as a function of depth can reveal important structural information.

Polarization-independent actively tunable colour generation on imprinted plasmonic surfaces

PubMed Central

Franklin, Daniel; Chen, Yuan; Vazquez-Guardado, Abraham; Modak, Sushrut; Boroumand, Javaneh; Xu, Daming; Wu, Shin-Tson; Chanda, Debashis

2015-01-01

Structural colour arising from nanostructured metallic surfaces offers many benefits compared to conventional pigmentation based display technologies, such as increased resolution and scalability of their optical response with structure dimensions. However, once these structures are fabricated their optical characteristics remain static, limiting their potential application. Here, by using a specially designed nanostructured plasmonic surface in conjunction with high birefringence liquid crystals, we demonstrate a tunable polarization-independent reflective surface where the colour of the surface is changed as a function of applied voltage. A large range of colour tunability is achieved over previous reports by utilizing an engineered surface which allows full liquid crystal reorientation while maximizing the overlap between plasmonic fields and liquid crystal. In combination with imprinted structures of varying periods, a full range of colours spanning the entire visible spectrum is achieved, paving the way towards dynamic pixels for reflective displays. PMID:26066375

DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2017-12-01

Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.

Spin dependence of ferroelectric polarization in the double exchange model for manganites

NASA Astrophysics Data System (ADS)

Solovyev, I. V.; Nikolaev, S. A.

2014-11-01

The double exchange (DE) model is systematically applied for studying the coupling between ferroelectric (FE) and magnetic orders in several prototypical types of multiferroic manganites. The model itself was constructed for the magnetically active Mn 3 d bands in the basis of Wannier functions and includes the effect of screened onsite Coulomb interactions in the Hartree-Fock approximation. All model parameters were derived from the first-principles electronic-structure calculations. The essence of our approach for the FE polarization is to use the Berry-phase theory, formulated in terms of occupied Wannier functions, and to evaluate the asymmetric spin-dependent change of these functions in the framework of the DE model. This enables us to quantify the effect of the magnetic symmetry breaking and derive several useful expressions for the electronic polarization P , depending on the relative directions of spins. The spin dependence of P in the DE model is given by the isotropic correlation functions ei.ej between directions of neighboring spins. Despite formal similarity with the magnetostriction mechanism, the magnetoelectric coupling in the proposed DE theory is not related to the magnetically driven FE atomic displacements and can exist even in compounds with the centrosymmetric crystal structure, if the spatial distribution of ei.ej does not respect the inversion symmetry. The proposed theory is applied to the solution of three major problems: (i) the magnetic-state dependence of P in hexagonal manganites, using YMnO3 as an example; (ii) the microscopic relationship between canted ferromagnetism and P in monoclinic BiMnO3; (iii) the origin of FE activity in orthorhombic manganites. Particularly, we will show that for an arbitrary noncollinear magnetic structure, propagating along the orthorhombic b axis and antiferromagnetically coupled along the c axis, the polarization is induced by an inhomogeneous distribution of spins and can be obtained by scaling the one of the E-type antiferromagnetic (AFM) phase with the prefactor depending only on the relative directions of spins and being the measure of this spin inhomogeneity. This picture works equally well for the twofold (HoMnO3) and fourfold (TbMnO3) periodic manganites. The basic difference is that, even despite some spin canting of the relativistic origin and deviation from the collinear E-type AFM alignment, the twofold periodic magnetic structure remains strongly inhomogeneous, which leads to large P . On the contrary, the fourfold periodic magnetic structure can be viewed as a moderately distorted homogeneous spin spiral, which corresponds to much weaker P .

Structural and functional changes in the microcirculation of lepromatous leprosy patients - Observation using orthogonal polarization spectral imaging and laser Doppler flowmetry iontophoresis

PubMed Central

Treu, Curt; de Souza, Maria das Graças Coelho; Lupi, Omar; Sicuro, Fernando Lencastre; Maranhão, Priscila Alves; Kraemer-Aguiar, Luiz Guilherme; Bouskela, Eliete

2017-01-01

Leprosy is a chronic granulomatous infection of skin and peripheral nerves caused by Mycobacterium leprae and is considered the main infectious cause of disability worldwide. Despite the several studies regarding leprosy, little is known about its effects on microvascular structure and function in vivo. Thus, we have aimed to compare skin capillary structure and functional density, cutaneous vasomotion (spontaneous oscillations of arteriolar diameter), which ensures optimal blood flow distribution to skin capillaries) and cutaneous microvascular blood flow and reactivity between ten men with lepromatous leprosy (without any other comorbidity) and ten age- and gender-matched healthy controls. Orthogonal polarization spectral imaging was used to evaluate skin capillary morphology and functional density and laser Doppler flowmetry to evaluate blood flow, vasomotion and spectral analysis of flowmotion (oscillations of blood flow generated by vasomotion) and microvascular reactivity, in response to iontophoresis of acetylcholine and sodium nitroprusside. The contribution of different frequency components of flowmotion (endothelial, neurogenic, myogenic, respiratory and cardiac) was not statistically different between groups. However, endothelial-dependent and -independent vasodilatations elicited by acetylcholine and sodium nitroprusside iontophoresis, respectively, were significantly reduced in lepromatous leprosy patients compared to controls, characterizing the existence of microvascular dysfunction. These patients also presented a significant increase in the number of capillaries with morphological abnormalities and in the diameters of the dermal papilla and capillary bulk when compared to controls. Our results suggest that lepromatous leprosy causes severe microvascular dysfunction and significant alterations in capillary structure. These structural and functional changes are probably induced by exposure of the microvascular bed to chronic inflammation evoked by the Mycobacterium leprae. PMID:28419120

Spin-polarized electron current from carbon-doped open armchair boron nitride nanotubes: Implication for nano-spintronic devices

NASA Astrophysics Data System (ADS)

Zhou, Gang; Duan, Wenhui

2007-03-01

Spin-polarized density functional calculations show that the substitutional doping of carbon (C) atom at the mouth changes the atomic and spin configurations of open armchair boron nitride nanotubes (BNNTs). The occupied/unoccupied deep gap states are observed with the significant spin-splitting. The structures and spin-polarized properties are basically stable under the considerable electric field, which is important for practical applications. The magnetization mechanism is attributed to the interactions of s, p states between the C and its neighboring B or N atoms. Ultimately, advantageous geometrical and electronic effects mean that C-doped open armchair BNNTs would have promising applications in nano-spintronic devices.

A Dynamic Nuclear Polarization spectrometer at 95 GHz/144 MHz with EPR and NMR excitation and detection capabilities.

PubMed

Feintuch, Akiva; Shimon, Daphna; Hovav, Yonatan; Banerjee, Debamalya; Kaminker, Ilia; Lipkin, Yaacov; Zibzener, Koby; Epel, Boris; Vega, Shimon; Goldfarb, Daniella

2011-04-01

A spectrometer specifically designed for systematic studies of the spin dynamics underlying Dynamic Nuclear Polarization (DNP) in solids at low temperatures is described. The spectrometer functions as a fully operational NMR spectrometer (144 MHz) and pulse EPR spectrometer (95 GHz) with a microwave (MW) power of up to 300 mW at the sample position, generating a MW B(1) field as high as 800 KHz. The combined NMR/EPR probe comprises of an open-structure horn-reflector configuration that functions as a low Q EPR cavity and an RF coil that can accommodate a 30-50 μl sample tube. The performance of the spectrometer is demonstrated through some basic pulsed EPR experiments, such as echo-detected EPR, saturation recovery and nutation measurements, that enable quantification of the actual intensity of MW irradiation at the position of the sample. In addition, DNP enhanced NMR signals of samples containing TEMPO and trityl are followed as a function of the MW frequency. Buildup curves of the nuclear polarization are recorded as a function of the microwave irradiation time period at different temperatures and for different MW powers. Copyright © 2011 Elsevier Inc. All rights reserved.

Optical properties of graphene, silicene, germanene, and stanene from IR to far UV - A first principles study

NASA Astrophysics Data System (ADS)

John, Rita; Merlin, Benita

2017-11-01

This study offers an analysis of optical properties of Graphene and its 2D analogues: Silicene, Germanene, and Stanene with the help of band structures based on Density Functional Theory. The complex dielectric function and complex refractive index are calculated in both parallel (||) and perpendicular (⊥) polarization directions of the electromagnetic field. From these calculated values, optical observables like absorption, reflection, optical conductivity, and electron loss function have been studied. The optical response of all materials is shifted from ultraviolet (UV) to infrared (IR) from graphene to stanene; Graphene is more into UV region and other materials in the IR and visible regions. The intensity of absorption is maximum for stanene. The real part of dielectric function reveals the existence of plasma frequency in the || polarization direction indicating the metal to dielectric transition except for graphene. Study on refractive index clearly displays the birefringence characteristics of all materials. Reflectivity is enhanced in the mid IR and visible regions when light is polarized in the || direction. The in-depth investigations arrive at fine results which would enable the prediction of their potential applications in the optical and optoelectronic industries.

FoxO regulates microtubule dynamics and polarity to promote dendrite branching in Drosophila sensory neurons

PubMed Central

Sears, James C.; Broihier, Heather T.

2016-01-01

The size and shape of dendrite arbors are defining features of neurons and critical determinants of neuronal function. The molecular mechanisms establishing arborization patterns during development are not well understood, though properly regulated microtubule (MT) dynamics and polarity are essential. We previously found that FoxO regulates axonal MTs, raising the question of whether it also regulates dendritic MTs and morphology. Here we demonstrate that FoxO promotes dendrite branching in all classes of Drosophila dendritic arborization (da) neurons. FoxO is required both for initiating growth of new branches and for maintaining existing branches. To elucidate FoxO function, we characterized MT organization in both foxO null and overexpressing neurons. We find that FoxO directs MT organization and dynamics in dendrites. Moreover, it is both necessary and sufficient for anterograde MT polymerization, which is known to promote dendrite branching. Lastly, FoxO promotes proper larval nociception, indicating a functional consequence of impaired da neuron morphology in foxO mutants. Together, our results indicate that FoxO regulates dendrite structure and function and suggest that FoxO-mediated pathways control MT dynamics and polarity. PMID:27546375

Polarization-dependent diffraction in all-dielectric, twisted-band structures

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

Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr, E-mail: pwasylcz@fuw.edu.pl

2015-11-23

We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

Development of functional materials by using ultrafast laser pulses

NASA Astrophysics Data System (ADS)

Shimotsuma, Y.; Sakakura, M.; Miura, K.

2018-01-01

The polarization-dependent periodic nanostructures inside various materials are successfully induced by ultrafast laser pulses. The periodic nanostructures in various materials can be empirically classified into the following three types: (1) structural deficiency, (2) expanded structure, (3) partial phase separation. Such periodic nanostructures exhibited not only optical anisotropy but also intriguing electric, thermal, and magnetic properties. The formation mechanisms of the periodic nanostructure was interpreted in terms of the interaction between incident light field and the generated electron plasma. Furthermore, the fact that the periodic nanostructures in semiconductors could be formed empirically only if it is indirect bandgap semiconductor materials indicates the stress-dependence of bandgap structure and/or the recombination of the excited electrons are also involved to the nanostructure formation. More recently we have also confirmed that the periodic nanostructures in glass are related to whether a large amount of non-bridged oxygen is present. In the presentation, we demonstrate new possibilities for functionalization of common materials ranging from an eternal 5D optical storage, a polarization imaging, to a thermoelectric conversion, based on the indicated phenomena.

Bio-Based Nano Composites from Plant Oil and Nano Clay

NASA Astrophysics Data System (ADS)

Lu, Jue; Hong, Chang K.; Wool, Richard P.

2003-03-01

We explored the combination of nanoclay with new chemically functionalized, amphiphilic, plant oil resins to form bio-based nanocomposites with improved physical and mechanical properties. These can be used in many new applications, including the development of self-healing nanocomposites through controlled reversible exfoliation/intercalation, and self-assembled nano-structures. Several chemically modified triglyceride monomers of varying polarity, combined with styrene (ca 30include acrylated epoxidized soybean oil (AESO), maleated acrylated epoxidized soybean oil (MAESO) and soybean oil pentaerythritol glyceride maleates (SOPERMA), containing either hydroxyl group or acid functionality or both. The clay used is a natural montmorillonite modified with methyl tallow bis-2-hydroxyethyl quaternary ammonium chloride, which has hydroxyl groups. Both XRD and TEM showed a completely exfoliated structure at 3 wtwhen the clay content is above 5 wtconsidered a mix of intercalated and partially exfoliated structure. The controlled polarity of the monomer has a major effect on the reversible dispersion of clay in the polymer matrix. The bio-based nanocomposites showed a significant increase in flexural modulus and strength. Supported by EPA and DoE

Optical Properties of a Single Carbon Chain-Doped Silicene Nanoribbon

NASA Astrophysics Data System (ADS)

Lu, Dao-Bang; Song, Yu-Ling; Huang, Xiao-yu; Wang, Chong

2018-05-01

Using first-principles spin polarization density function theory calculations, we have studied the electronic and optical properties of zigzag-edge silicene nanoribbons (ZSiNRs) doped with a single carbon chain. Because of the doped carbon chain, there are several defect states in the band structures of ZSiNRs across the Fermi level, and the ferromagnetic ground state is metallic. The dielectric functions in all three dimensions are completely different from each other, and thus the system exhibits strong optical anisotropism. The carbon chain influenced the dielectric functions most at low energy. The first peak in the E//x direction of the dielectric spectrum exhibits a significant blueshift, and its value has changed as well. The main absorption wavelength depends on the polarization direction of the incident light, but occurs within the UV region for all polarization directions. The peaks of the energy loss spectra correspond to the trailing edges in the reflectivity spectrum, and the highest peak corresponds to a plasmon frequency. Our results could be useful for investigating nanodevices based on silicene nanoribbons.

Structure-Activity Relationship of the Antimalarial Ozonide Artefenomel (OZ439).

PubMed

Dong, Yuxiang; Wang, Xiaofang; Kamaraj, Sriraghavan; Bulbule, Vivek J; Chiu, Francis C K; Chollet, Jacques; Dhanasekaran, Manickam; Hein, Christopher D; Papastogiannidis, Petros; Morizzi, Julia; Shackleford, David M; Barker, Helena; Ryan, Eileen; Scheurer, Christian; Tang, Yuanqing; Zhao, Qingjie; Zhou, Lin; White, Karen L; Urwyler, Heinrich; Charman, William N; Matile, Hugues; Wittlin, Sergio; Charman, Susan A; Vennerstrom, Jonathan L

2017-04-13

Building on insights gained from the discovery of the antimalarial ozonide arterolane (OZ277), we now describe the structure-activity relationship (SAR) of the antimalarial ozonide artefenomel (OZ439). Primary and secondary amino ozonides had higher metabolic stabilities than tertiary amino ozonides, consistent with their higher pK a and lower log D 7.4 values. For primary amino ozonides, addition of polar functional groups decreased in vivo antimalarial efficacy. For secondary amino ozonides, additional functional groups had variable effects on metabolic stability and efficacy, but the most effective members of this series also had the highest log D 7.4 values. For tertiary amino ozonides, addition of polar functional groups with H-bond donors increased metabolic stability but decreased in vivo antimalarial efficacy. Primary and tertiary amino ozonides with cycloalkyl and heterocycle substructures were superior to their acyclic counterparts. The high curative efficacy of these ozonides was most often associated with high and prolonged plasma exposure, but exposure on its own did not explain the presence or absence of either curative efficacy or in vivo toxicity.

Solvothermal synthesis and controlled self-assembly of monodisperse titanium-based perovskite colloidal nanocrystals

NASA Astrophysics Data System (ADS)

Caruntu, Daniela; Rostamzadeh, Taha; Costanzo, Tommaso; Salemizadeh Parizi, Saman; Caruntu, Gabriel

2015-07-01

The rational design of monodisperse ferroelectric nanocrystals with controlled size and shape and their organization into hierarchical structures has been a critical step for understanding the polar ordering in nanoscale ferroelectrics, as well as the design of nanocrystal-based functional materials which harness the properties of individual nanoparticles and the collective interactions between them. We report here on the synthesis and self-assembly of aggregate-free, single-crystalline titanium-based perovskite nanoparticles with controlled morphology and surface composition by using a simple, easily scalable and highly versatile colloidal route. Single-crystalline, non-aggregated BaTiO3 colloidal nanocrystals, used as a model system, have been prepared under solvothermal conditions at temperatures as low as 180 °C. The shape of the nanocrystals was tuned from spheroidal to cubic upon changing the polarity of the solvent, whereas their size was varied from 16 to 30 nm for spheres and 5 to 78 nm for cubes by changing the concentration of the precursors and the reaction time, respectively. The hydrophobic, oleic acid-passivated nanoparticles exhibit very good solubility in non-polar solvents and can be rendered dispersible in polar solvents by a simple process involving the oxidative cleavage of the double bond upon treating the nanopowders with the Lemieux-von Rudloff reagent. Lattice dynamic analysis indicated that regardless of their size, BaTiO3 nanocrystals present local disorder within the perovskite unit cell, associated with the existence of polar ordering. We also demonstrate for the first time that, in addition to being used for fabricating large area, crack-free, highly uniform films, BaTiO3 nanocubes can serve as building blocks for the design of 2D and 3D mesoscale structures, such as superlattices and superparticles. Interestingly, the type of superlattice structure (simple cubic or face centered cubic) appears to be determined by the type of solvent in which the nanocrystals were dispersed. This approach provides an excellent platform for the synthesis of other titanium-based perovskite colloidal nanocrystals with controlled chemical composition, surface structure and morphology and for their assembly into complex architectures, therefore opening the door for the design of novel mesoscale functional materials/nanocomposites with potential applications in energy conversion, data storage and the biomedical field.The rational design of monodisperse ferroelectric nanocrystals with controlled size and shape and their organization into hierarchical structures has been a critical step for understanding the polar ordering in nanoscale ferroelectrics, as well as the design of nanocrystal-based functional materials which harness the properties of individual nanoparticles and the collective interactions between them. We report here on the synthesis and self-assembly of aggregate-free, single-crystalline titanium-based perovskite nanoparticles with controlled morphology and surface composition by using a simple, easily scalable and highly versatile colloidal route. Single-crystalline, non-aggregated BaTiO3 colloidal nanocrystals, used as a model system, have been prepared under solvothermal conditions at temperatures as low as 180 °C. The shape of the nanocrystals was tuned from spheroidal to cubic upon changing the polarity of the solvent, whereas their size was varied from 16 to 30 nm for spheres and 5 to 78 nm for cubes by changing the concentration of the precursors and the reaction time, respectively. The hydrophobic, oleic acid-passivated nanoparticles exhibit very good solubility in non-polar solvents and can be rendered dispersible in polar solvents by a simple process involving the oxidative cleavage of the double bond upon treating the nanopowders with the Lemieux-von Rudloff reagent. Lattice dynamic analysis indicated that regardless of their size, BaTiO3 nanocrystals present local disorder within the perovskite unit cell, associated with the existence of polar ordering. We also demonstrate for the first time that, in addition to being used for fabricating large area, crack-free, highly uniform films, BaTiO3 nanocubes can serve as building blocks for the design of 2D and 3D mesoscale structures, such as superlattices and superparticles. Interestingly, the type of superlattice structure (simple cubic or face centered cubic) appears to be determined by the type of solvent in which the nanocrystals were dispersed. This approach provides an excellent platform for the synthesis of other titanium-based perovskite colloidal nanocrystals with controlled chemical composition, surface structure and morphology and for their assembly into complex architectures, therefore opening the door for the design of novel mesoscale functional materials/nanocomposites with potential applications in energy conversion, data storage and the biomedical field. Electronic supplementary information (ESI) available: FE-SEM image of 12 nm BaTiO3 nanocubes deposited onto a silicon wafer (Fig. SI1), the X-ray diffraction pattern of a superlattice structure formed by monodisperse 10 nm BaTiO3 cuboidal nanocrystals (Fig. SI2) and TEM images of a BaTiO3 superparticle (Fig. SI3). See DOI: 10.1039/c5nr00737b

Surface water retardation around single-chain polymeric nanoparticles: critical for catalytic function?

PubMed

Stals, Patrick J M; Cheng, Chi-Yuan; van Beek, Lotte; Wauters, Annelies C; Palmans, Anja R A; Han, Songi; Meijer, E W

2016-03-01

A library of water-soluble dynamic single-chain polymeric nanoparticles (SCPN) was prepared using a controlled radical polymerisation technique followed by the introduction of functional groups, including probes at targeted positions. The combined tools of electron paramagnetic resonance (EPR) and Overhauser dynamic nuclear polarization (ODNP) reveal that these SCPNs have structural and surface hydration properties resembling that of enzymes.

Functional imaging of skeletal muscle fiber in different physiological states by second harmonic generation

NASA Astrophysics Data System (ADS)

Nucciotti, V.; Stringari, C.; Sacconi, L.; Vanzi, F.; Tesi, C.; Piroddi, N.; Poggesi, C.; Castiglioni, C.; Milani, A.; Linari, M.; Piazzesi, G.; Lombardi, V.; Pavone, F. S.

2007-07-01

The intrinsically ordered arrays of proteins in skeletal muscle allows imaging of this tissue by Second Harmonic Generation (SHG). Biochemical and colocalization studies have gathered an increasing wealth of clues for the attribution of the molecular origin of the muscle SHG signal to the motor protein myosin. Thus, SHG represents a potentially very powerful tool in the investigation of structural dynamics occurring in muscle during active production of force. A full characterization of the polarization-dependence of the SHG signal represents a very selective information on the orientation of the emitting proteins and their dynamics during contraction, provided that different physiological states of muscle (relaxed, rigor and active) exhibit distinct patterns of SHG polarization dependence. Here polarization data are obtained from single frog muscle fibers at rest and during isometric contraction and interpreted, by means of a model, in terms of an average orientation of the SHG emitters which are structured with a cylindrical symmetry about the fiber axis. Optimizing the setup for accurate polarization measurements with SHG, we developed a line scan imaging method allowing measurement of SHG polarization curves in different physiological states. We demonstrate that muscle fiber displays a measurable variation of the orientation of SHG emitters with the transition from rest to isometric contraction.

Understanding the spin-driven polarizations in Bi MO3 (M = 3 d transition metals) multiferroics

NASA Astrophysics Data System (ADS)

Kc, Santosh; Lee, Jun Hee; Cooper, Valentino R.

Bismuth ferrite (BiFeO3) , a promising multiferroic, stabilizes in a perovskite type rhombohedral crystal structure (space group R3c) at room temperature. Recently, it has been reported that in its ground state it possess a huge spin-driven polarization. To probe the underlying mechanism of this large spin-phonon response, we examine these couplings within other Bi based 3 d transition metal oxides Bi MO3 (M = Ti, V, Cr, Mn, Fe, Co, Ni) using density functional theory. Our results demonstrate that this large spin-driven polarization is a consequence of symmetry breaking due to competition between ferroelectric distortions and anti-ferrodistortive octahedral rotations. Furthermore, we find a strong dependence of these enhanced spin-driven polarizations on the crystal structure; with the rhombohedral phase having the largest spin-induced atomic distortions along [111]. These results give us significant insights into the magneto-electric coupling in these materials which is essential to the magnetic and electric field control of electric polarization and magnetization in multiferroic based devices. Research is supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division and the Office of Science Early Career Research Program (V.R.C) and used computational resources at NERSC.

X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in Water.

PubMed

Xie, Wangshen; Orozco, Modesto; Truhlar, Donald G; Gao, Jiali

2009-02-17

A recently proposed electronic structure-based force field called the explicit polarization (X-Pol) potential is used to study many-body electronic polarization effects in a protein, in particular by carrying out a molecular dynamics (MD) simulation of bovine pancreatic trypsin inhibitor (BPTI) in water with periodic boundary conditions. The primary unit cell is cubic with dimensions ~54 × 54 × 54 Å(3), and the total number of atoms in this cell is 14281. An approximate electronic wave function, consisting of 29026 basis functions for the entire system, is variationally optimized to give the minimum Born-Oppenheimer energy at every MD step; this allows the efficient evaluation of the required analytic forces for the dynamics. Intramolecular and intermolecular polarization and intramolecular charge transfer effects are examined and are found to be significant; for example, 17 out of 58 backbone carbonyls differ from neutrality on average by more than 0.1 electron, and the average charge on the six alanines varies from -0.05 to +0.09. The instantaneous excess charges vary even more widely; the backbone carbonyls have standard deviations in their fluctuating net charges from 0.03 to 0.05, and more than half of the residues have excess charges whose standard deviation exceeds 0.05. We conclude that the new-generation X-Pol force field permits the inclusion of time-dependent quantum mechanical polarization and charge transfer effects in much larger systems than was previously possible.

Trigonal warping induced unusual spin texture and strong spin polarization in graphene with the Rashba effect

NASA Astrophysics Data System (ADS)

Ma, Da-Shuai; Yu, Zhi-Ming; Pan, Hui; Yao, Yugui

2018-02-01

We study the electronic and scattering properties of graphene with moderate Rashba spin-orbit coupling (SOC). The Rashba SOC in graphene tends to distort the band structure and gives rise to a trigonally warped Fermi surface. For electrons at a pronouncedly warped Fermi surface, the spin direction exhibits a staircase profile as a function of the momentum, making an unusual spin texture. We also study the spin-resolved scattering on a Rashba barrier and find that the trigonal warping is essential for producing spin polarization of the transmitted current. Particularly, both the direction and strength of the spin polarization can be controlled by kinds of electric methods. Our work unveils that not only SOC but also the geometry of the Fermi surface is important for generating spin polarization.

Structure and functions of water-membrane interfaces and their role in proto-biological evolution

NASA Technical Reports Server (NTRS)

Pohorille, A.; Wilson, M.; Macelroy, R. D.

1991-01-01

Among the most important developments in proto-biological evolution was the emergence of membrane-like structures. These are formed by spontaneous association of relatively simple amphiphilic molecules that would have been readily available in the primordial environment. The resulting interfacial regions between water and nonpolar interior of the membrane have several properties which made them uniquely suitable for promoting subsequent evolution. They can (1) selectively attract organic material and mediate its transport, (2) serve as simple catalysts for chemical reactions, and (3) promote the formation of trans-membrane electrical and chemical gradients which could provide energy sources for proto-cells. Understanding the structure of interfaces, their interactions with organic molecules and molecular mechanisms of their functions is an essential step to understanding proto-biological evolution. In our computer simulation studies, we showed that the structure of water at interfaces with nonpolar media is significantly different from that in the bulk. In particular, the average surface dipole density points from the vapor to the liquid. As a result, negative ions can approach the interface more easily than positive ions. Amphiphilic molecules composed of hydrocarbon conjugated rings and polar substituents (e.g., phenol) assume at the interface rigid orientations in which polar groups are buried in water while hydrocarbon parts are located in the nonpolar environment. These orientational differences are of special interest in connection with the ability of some of these molecules to efficiently absorb photons. Flexible molecules with polar substituents often adopt at interfaces conformations different from those in the bulk aquaeous solution and in the gas phase. As a result, in many instances both specificity and kinetics of chemical reactions in which these molecules can participate is modified by the presence of surfaces. Of special interest is the mechanism by which polar molecules are transferred across interface between water and a nonpolar medium. Our recent study showed that simple ionophores bind ions by the same mechanisms as ion channels and carriers from modern cells.

Hydration effects on the barrier function of stratum corneum lipids: Raman analysis of ceramides 2, III and 5.

PubMed

Tfayli, Ali; Jamal, Dima; Vyumvuhore, Raoul; Manfait, Michel; Baillet-Guffroy, Arlette

2013-11-07

The stratum corneum is the outermost layer of the skin; its barrier function is highly dependent on the composition and the structure as well as the organization of lipids in its extracellular matrix. Ceramides, free fatty acids and cholesterol represent the major lipid classes present in this matrix. They play an important role in maintaining the normal hydration levels required for the normal physiological function. Despite the advancement in the understanding of the structure, composition and the function of the stratum corneum (SC), the concern of "dry skin" remains important in dermatology and care research. Most studies focus on the quantification of water in the skin using different techniques including Raman spectroscopy, while the studies that investigate the effect of hydration on the quality of the barrier function of the skin are limited. Raman spectroscopy provides structural, conformational and organizational information that could help elucidate the effect of hydration on the barrier function of the skin. In order to assess the effect of relative humidity on the lipid barrier function; we used Raman spectroscopy to follow-up the evolution of the conformation and the organization of three synthetic ceramides (CER) differing from each other by the nature of their polar heads (sphingosine, phytosphingosine and α hydroxyl sphingosine), CER 2, III and 5 respectively. CER III and 5 showed a more compact and ordered organization with stronger polar interactions at intermediate relative humidity values, while CER 2 showed opposite tendencies to those observed with CER III and 5.

Evidence of unfrozen liquids and seismic anisotropy at the base of the polar ice sheets

NASA Astrophysics Data System (ADS)

Wittlinger, Gérard; Farra, Véronique

2015-03-01

We analyze seismic data from broadband stations located on the Antarctic and Greenland ice sheets to determine polar ice seismic velocities. P-to-S converted waves at the ice/rock interface and inside the ice sheets and their multiples (the P-receiver functions) are used to estimate in-situ P-wave velocity (Vp) and P-to-S velocity ratio (Vp/Vs) of polar ice. We find that the polar ice sheets have a two-layer structure; an upper layer of variable thickness (about 2/3 of the total thickness) with seismic velocities close to the standard ice values, and a lower layer of approximately constant thickness with standard Vp but ∼25% smaller Vs. The lower layer ceiling corresponds approximately to the -30 °C isotherm. Synthetic modeling of P-receiver functions shows that strong seismic anisotropy and low vertical S velocity are needed in the lower layer. The seismic anisotropy results from the preferred orientation of ice crystal c-axes toward the vertical. The low vertical S velocity may be due to the presence of unfrozen liquids resulting from premelting at grain joints and/or melting of chemical solutions buried in the ice. The strongly preferred ice crystal orientation fabric and the unfrozen fluids may facilitate polar ice sheet basal flow.

Quantitative atomic-scale structure characterization of ordered mesoporous carbon materials by solid state NMR

DOE PAGES

Wang, Zhuoran; Opembe, Naftali; Kobayashi, Takeshi; ...

2018-02-03

In this study, solid-state (SS)NMR techniques were applied to characterize the atomic-scale structures of ordered mesoporous carbon (OMC) materials prepared using Pluronic F127 as template with resorcinol and formaldehyde as polymerizing precursors. A rigorous quantitative analysis was developed using a combination of 13C SSNMR spectra acquired with direct polarization and cross polarization on natural abundant and selectively 13C-enriched series of samples pyrolyzed at various temperatures. These experiments identified and counted the key functional groups present in the OMCs at various stages of preparation and thermal treatment. Lastly, the chemical evolution of molecular networks, the average sizes of aromatic clusters andmore » the extended molecular structures of OMCs were then inferred by coupling this information with the elemental analysis results.« less

Quantitative atomic-scale structure characterization of ordered mesoporous carbon materials by solid state NMR

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

Wang, Zhuoran; Opembe, Naftali; Kobayashi, Takeshi

In this study, solid-state (SS)NMR techniques were applied to characterize the atomic-scale structures of ordered mesoporous carbon (OMC) materials prepared using Pluronic F127 as template with resorcinol and formaldehyde as polymerizing precursors. A rigorous quantitative analysis was developed using a combination of 13C SSNMR spectra acquired with direct polarization and cross polarization on natural abundant and selectively 13C-enriched series of samples pyrolyzed at various temperatures. These experiments identified and counted the key functional groups present in the OMCs at various stages of preparation and thermal treatment. Lastly, the chemical evolution of molecular networks, the average sizes of aromatic clusters andmore » the extended molecular structures of OMCs were then inferred by coupling this information with the elemental analysis results.« less

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.

First-principles investigation on the structures, energies, electronic and defective properties of Ti2AlN surfaces

NASA Astrophysics Data System (ADS)

Liu, Pei; Han, Xiuli; Sun, Dongli; Wang, Qing

2018-03-01

In this research work, the structures, energies, electronic and defective properties of (0001), (10 1 bar 0) , (11 2 bar 0) and (10 1 bar 3) surfaces of Ti2AlN were investigated systematically by the first-principles calculations based on density functional theory. The (0001) and (10 1 bar 0) are polar surfaces and have different kinds of surface terminations, while the (11 2 bar 0) and (10 1 bar 3) are non-polar surfaces. The calculated results show that the Ti(Al)-, Al- terminated (0001) surfaces experience the least relaxation, and N- terminated (0001) surface experiences the greatest relaxation. The calculated surface energies of non-polar surfaces are independent on the constituent element chemical potential, while surface energies of polar surfaces are correlated with the constituent element chemical potential. It is found that the (0001)-Ti(Al), (0001)-Al, (10 1 bar 0) -TiAl and (10 1 bar 3) surface are stable under the condition of Ti- and Al- rich environments, the (0001)-N surface is the most stable one under the Ti- and Al- poor condition. The electronic structures of all the surfaces except (10 1 bar 3) are significantly influenced by structure relaxations. Furthermore, the monovacancy formation energies on the surface layer are lower than that in the bulk, the monovacancies are most difficult to exist on the (10 1 bar 3) surface among all the surfaces.

Ultrafast exciton fine structure relaxation dynamics in lead chalcogenide nanocrystals.

PubMed

Johnson, Justin C; Gerth, Kathrine A; Song, Qing; Murphy, James E; Nozik, Arthur J; Scholes, Gregory D

2008-05-01

The rates of fine structure relaxation in PbS, PbSe, and PbTe nanocrystals were measured on a femtosecond time scale as a function of temperature with no applied magnetic field by cross-polarized transient grating spectroscopy (CPTG) and circularly polarized pump-probe spectroscopy. The relaxation rates among exciton fine structure states follow trends with nanocrystal composition and size that are consistent with the expected influence of material dependent spin-orbit coupling, confinement enhanced electron-hole exchange interaction, and splitting between L valleys that are degenerate in the bulk. The size dependence of the fine structure relaxation rate is considerably different from what is observed for small CdSe nanocrystals, which appears to result from the unique material properties of the highly confined lead chalcogenide quantum dots. Modeling and qualitative considerations lead to conclusions about the fine structure of the lowest exciton absorption band, which has a potentially significant bearing on photophysical processes that make these materials attractive for practical purposes.

Revealing the correlation between real-space structure and chiral magnetic order at the atomic scale

NASA Astrophysics Data System (ADS)

Hauptmann, Nadine; Dupé, Melanie; Hung, Tzu-Chao; Lemmens, Alexander K.; Wegner, Daniel; Dupé, Bertrand; Khajetoorians, Alexander A.

2018-03-01

We image simultaneously the geometric, the electronic, and the magnetic structures of a buckled iron bilayer film that exhibits chiral magnetic order. We achieve this by combining spin-polarized scanning tunneling microscopy and magnetic exchange force microscopy (SPEX) to independently characterize the geometric as well as the electronic and magnetic structures of nonflat surfaces. This new SPEX imaging technique reveals the geometric height corrugation of the reconstruction lines resulting from strong strain relaxation in the bilayer, enabling the decomposition of the real-space from the electronic structure at the atomic level and the correlation with the resultant spin-spiral ground state. By additionally utilizing adatom manipulation, we reveal the chiral magnetic ground state of portions of the unit cell that were not previously imaged with spin-polarized scanning tunneling microscopy alone. Using density functional theory, we investigate the structural and electronic properties of the reconstructed bilayer and identify the favorable stoichiometry regime in agreement with our experimental result.

A single-layer wide-angle negative-index metamaterial at visible frequencies.

PubMed

Burgos, Stanley P; de Waele, Rene; Polman, Albert; Atwater, Harry A

2010-05-01

Metamaterials are materials with artificial electromagnetic properties defined by their sub-wavelength structure rather than their chemical composition. Negative-index materials (NIMs) are a special class of metamaterials characterized by an effective negative index that gives rise to such unusual wave behaviour as backwards phase propagation and negative refraction. These extraordinary properties lead to many interesting functions such as sub-diffraction imaging and invisibility cloaking. So far, NIMs have been realized through layering of resonant structures, such as split-ring resonators, and have been demonstrated at microwave to infrared frequencies over a narrow range of angles-of-incidence and polarization. However, resonant-element NIM designs suffer from the limitations of not being scalable to operate at visible frequencies because of intrinsic fabrication limitations, require multiple functional layers to achieve strong scattering and have refractive indices that are highly dependent on angle of incidence and polarization. Here we report a metamaterial composed of a single layer of coupled plasmonic coaxial waveguides that exhibits an effective refractive index of -2 in the blue spectral region with a figure-of-merit larger than 8. The resulting NIM refractive index is insensitive to both polarization and angle-of-incidence over a +/-50 degree angular range, yielding a wide-angle NIM at visible frequencies.

Hierarchical ferroelectric and ferrotoroidic polarizations coexistent in nano-metamaterials

PubMed Central

Shimada, Takahiro; Lich, Le Van; Nagano, Koyo; Wang, Jie; Kitamura, Takayuki

2015-01-01

Tailoring materials to obtain unique, or significantly enhanced material properties through rationally designed structures rather than chemical constituents is principle of metamaterial concept, which leads to the realization of remarkable optical and mechanical properties. Inspired by the recent progress in electromagnetic and mechanical metamaterials, here we introduce the concept of ferroelectric nano-metamaterials, and demonstrate through an experiment in silico with hierarchical nanostructures of ferroelectrics using sophisticated real-space phase-field techniques. This new concept enables variety of unusual and complex yet controllable domain patterns to be achieved, where the coexistence between hierarchical ferroelectric and ferrotoroidic polarizations establishes a new benchmark for exploration of complexity in spontaneous polarization ordering. The concept opens a novel route to effectively tailor domain configurations through the control of internal structure, facilitating access to stabilization and control of complex domain patterns that provide high potential for novel functionalities. A key design parameter to achieve such complex patterns is explored based on the parity of junctions that connect constituent nanostructures. We further highlight the variety of additional functionalities that are potentially obtained from ferroelectric nano-metamaterials, and provide promising perspectives for novel multifunctional devices. This study proposes an entirely new discipline of ferroelectric nano-metamaterials, further driving advances in metamaterials research. PMID:26424484

Ferromagnetic Peierls insulator state in A Mg4Mn6O15(A =K ,Rb ,Cs )

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Sugimoto, K.; Ohta, Y.; Tanaka, Y.; Sato, H.

2018-04-01

Using the density-functional-theory-based electronic structure calculations, we study the electronic state of recently discovered mixed-valent manganese oxides A Mg4Mn6O15(A =K ,Rb ,Cs ) , which are fully spin-polarized ferromagnetic insulators with a cubic crystal structure. We show that the system may be described as a three-dimensional arrangement of the one-dimensional chains of a 2 p orbital of O and a 3 d orbital of Mn running along the three axes of the cubic lattice. We thereby argue that in the ground state the chains are fully spin polarized due to the double-exchange mechanism and are distorted by the Peierls mechanism to make the system insulating.

Interfacial mixing in as-deposited Si/Ni/Si layers analyzed by x-ray and polarized neutron reflectometry

NASA Astrophysics Data System (ADS)

Bhattacharya, Debarati; Basu, Saibal; Singh, Surendra; Roy, Sumalay; Dev, Bhupendra Nath

2012-12-01

Interdiffusion occurring across the interfaces in a Si/Ni/Si layered system during deposition at room temperature was probed using x-ray reflectivity (XRR) and polarized neutron reflectivity (PNR). Exploiting the complementarity of these techniques, both structural and magnetic characterization with nanometer depth resolution could be achieved. Suitable model fitting of the reflectivity profiles identified the formation of Ni-Si mixed alloy layers at the Si/Ni and Ni/Si interfaces. The physical parameters of the layered structure, including quantitative assessment of the stoichiometry of interfacial alloys, were obtained from the analyses of XRR and PNR patterns. In addition, PNR provided magnetic moment density profile as a function of depth in the stratified medium.

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.

Atomic-Scale Mechanisms of Defect-Induced Retention Failure in Ferroelectrics.

PubMed

Li, Linze; Zhang, Yi; Xie, Lin; Jokisaari, Jacob R; Beekman, Christianne; Yang, Jan-Chi; Chu, Ying-Hao; Christen, Hans M; Pan, Xiaoqing

2017-06-14

The ability to switch the ferroelectric polarization using an electric field makes ferroelectrics attractive for application in nanodevices such as high-density memories. One of the major challenges impeding this application, however, has been known as "retention failure", which is a spontaneous process of polarization back-switching that can lead to data loss. This process is generally thought to be caused by the domain instability arising from interface boundary conditions and countered by defects, which can pin the domain wall and impede the back-switching. Here, using in situ transmission electron microscopy and atomic-scale scanning transmission electron microscopy, we show that the polarization retention failure can be induced by commonly observed nanoscale impurity defects in BiFeO 3 thin films. The interaction between polarization and the defects can also lead to the stabilization of novel functional nanodomains with mixed-phase structures and head-to-head polarization configurations. Thus, defect engineering provides a new route for tuning properties of ferroelectric nanosystems.

Quantum mechanical force field for hydrogen fluoride with explicit electronic polarization.

PubMed

Mazack, Michael J M; Gao, Jiali

2014-05-28

The explicit polarization (X-Pol) theory is a fragment-based quantum chemical method that explicitly models the internal electronic polarization and intermolecular interactions of a chemical system. X-Pol theory provides a framework to construct a quantum mechanical force field, which we have extended to liquid hydrogen fluoride (HF) in this work. The parameterization, called XPHF, is built upon the same formalism introduced for the XP3P model of liquid water, which is based on the polarized molecular orbital (PMO) semiempirical quantum chemistry method and the dipole-preserving polarization consistent point charge model. We introduce a fluorine parameter set for PMO, and find good agreement for various gas-phase results of small HF clusters compared to experiments and ab initio calculations at the M06-2X/MG3S level of theory. In addition, the XPHF model shows reasonable agreement with experiments for a variety of structural and thermodynamic properties in the liquid state, including radial distribution functions, interaction energies, diffusion coefficients, and densities at various state points.

Nanodomain Engineering in Ferroelectric Capacitors with Graphene Electrodes.

PubMed

Lu, Haidong; Wang, Bo; Li, Tao; Lipatov, Alexey; Lee, Hyungwoo; Rajapitamahuni, Anil; Xu, Ruijuan; Hong, Xia; Farokhipoor, Saeedeh; Martin, Lane W; Eom, Chang-Beom; Chen, Long-Qing; Sinitskii, Alexander; Gruverman, Alexei

2016-10-12

Polarization switching in ferroelectric capacitors is typically realized by application of an electrical bias to the capacitor electrodes and occurs via a complex process of domain structure reorganization. As the domain evolution in real devices is governed by the distribution of the nucleation centers, obtaining a domain structure of a desired configuration by electrical pulsing is challenging, if not impossible. Recent discovery of polarization reversal via the flexoelectric effect has opened a possibility for deterministic control of polarization in ferroelectric capacitors. In this paper, we demonstrate mechanical writing of arbitrary-shaped nanoscale domains in thin-film ferroelectric capacitors with graphene electrodes facilitated by a strain gradient induced by a tip of an atomic force microscope (AFM). A phase-field modeling prediction of a strong effect of graphene thickness on the threshold load required to initiate mechanical switching has been confirmed experimentally. Deliberate voltage-free domain writing represents a viable approach for development of functional devices based on domain topology and electronic properties of the domains and domain walls.

Using RIXS to uncover elementary charge and spin excitations

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

Jia, Chunjing; Wohlfeld, Krzysztof; Wang, Yao

2016-05-13

Despite significant progress in resonant inelastic x-ray scattering (RIXS) experiments on cuprates at the Cu L-edge, a theoretical understanding of the cross section remains incomplete in terms of elementary excitations and the connection to both charge and spin structure factors. Here, we use state-of-the-art, unbiased numerical calculations to study the low-energy excitations probed by RIXS in the Hubbard model, relevant to the cuprates. The results highlight the importance of scattering geometry, in particular, both the incident and scattered x-ray photon polarization, and they demonstrate that on a qualitative level the RIXS spectral shape in the cross-polarized channel approximates that ofmore » the spin dynamical structure factor. Furthermore, in the parallel-polarized channel, the complexity of the RIXS process beyond a simple two-particle response complicates the analysis and demonstrates that approximations and expansions that attempt to relate RIXS to less complex correlation functions cannot reproduce the full diversity of RIXS spectral features.« less

Half-metallicity at the (110) interface between a full Heusler alloy and GaAs

NASA Astrophysics Data System (ADS)

Nagao, Kazutaka; Miura, Yoshio; Shirai, Masafumi

2006-03-01

The electronic properties of Co2CrAl/GaAs interfaces are investigated by using first-principles calculations with density functional theory. It is found that spin polarization tends to remain relatively high at the (110) interface and reaches almost unity for a specific (110) interfacial structure. Furthermore, the nearly-half-metallic interface turns out to be the most stable of the (110) interfacial structures studied here. Spin polarization calculated only from the sp -projected density of states is also examined in order to eliminate the effects stemming from the localized d components. The analysis shows that the high spin polarization at the (110) interface owes little to the localized d component and, therefore, is expected to be fairly relevant to transport properties. Co2CrSi/GaAs , Co2MnSi/GaAs , and Co2MnGe/GaAs heterostructures are also investigated, and similar half-metal-like behavior at (110) interface is observed for all of them.

Compensated Ferrimagnetism in the Zero-Moment Heusler Alloy Mn3Al

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

The generation of piezoelectricity and flexoelectricity in graphene by breaking the materials symmetries.

PubMed

Javvaji, Brahmanandam; He, Bo; Zhuang, Xiaoying

2018-06-01

Graphene is a non-piezoelectric material. Engineering the piezoelectricity in graphene is possible with the help of impurities, defects and structural modifications. This study reports the mechanism of strain induced polarization and the estimation of piezoelectric and flexoelectric coefficients for graphene system. The combination of charge-dipole potential and the strong many-body potential is employed for describing the inter-atomic interactions. The breaking of symmetry in graphene material is utilized to generate the polarization. Pristine graphene, graphene with circular defect, graphene with triangular defect and trapezium-shaped graphene are considered. Molecular dynamics simulations are performed for straining the graphene atomic systems. The optimization of charge-dipole potential functions measure the polarization for these systems. Pristine and circular defect graphene systems show a constant polarization with strain. The polarization is varying with strain for a triangular defected and trapezium-shaped graphene system. The local atomic deformation produces a change in polarization with respect to the strain gradient. Estimated piezo and flexo coefficients motivate the usage of graphene in electro-mechanical devices.

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

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

Chen, F.; Zhu, Y.; Liu, S.

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent across unit cells. Thismore » effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.« less

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

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

Chen, F.; Zhu, Y.; Liu, S.

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here in this paper we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent acrossmore » unit cells. This effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.« less

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

DOE PAGES

Chen, F.; Zhu, Y.; Liu, S.; ...

2016-11-22

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here in this paper we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent acrossmore » unit cells. This effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.« less

The generation of piezoelectricity and flexoelectricity in graphene by breaking the materials symmetries

NASA Astrophysics Data System (ADS)

Javvaji, Brahmanandam; He, Bo; Zhuang, Xiaoying

2018-06-01

Graphene is a non-piezoelectric material. Engineering the piezoelectricity in graphene is possible with the help of impurities, defects and structural modifications. This study reports the mechanism of strain induced polarization and the estimation of piezoelectric and flexoelectric coefficients for graphene system. The combination of charge-dipole potential and the strong many-body potential is employed for describing the inter-atomic interactions. The breaking of symmetry in graphene material is utilized to generate the polarization. Pristine graphene, graphene with circular defect, graphene with triangular defect and trapezium-shaped graphene are considered. Molecular dynamics simulations are performed for straining the graphene atomic systems. The optimization of charge-dipole potential functions measure the polarization for these systems. Pristine and circular defect graphene systems show a constant polarization with strain. The polarization is varying with strain for a triangular defected and trapezium-shaped graphene system. The local atomic deformation produces a change in polarization with respect to the strain gradient. Estimated piezo and flexo coefficients motivate the usage of graphene in electro-mechanical devices.

Rainbow Fourier Transform

NASA Technical Reports Server (NTRS)

Alexandrov, Mikhail D.; Cairns, Brian; Mishchenko, Michael I.

2012-01-01

We present a novel technique for remote sensing of cloud droplet size distributions. Polarized reflectances in the scattering angle range between 135deg and 165deg exhibit a sharply defined rainbow structure, the shape of which is determined mostly by single scattering properties of cloud particles, and therefore, can be modeled using the Mie theory. Fitting the observed rainbow with such a model (computed for a parameterized family of particle size distributions) has been used for cloud droplet size retrievals. We discovered that the relationship between the rainbow structures and the corresponding particle size distributions is deeper than it had been commonly understood. In fact, the Mie theory-derived polarized reflectance as a function of reduced scattering angle (in the rainbow angular range) and the (monodisperse) particle radius appears to be a proxy to a kernel of an integral transform (similar to the sine Fourier transform on the positive semi-axis). This approach, called the rainbow Fourier transform (RFT), allows us to accurately retrieve the shape of the droplet size distribution by the application of the corresponding inverse transform to the observed polarized rainbow. While the basis functions of the proxy-transform are not exactly orthogonal in the finite angular range, this procedure needs to be complemented by a simple regression technique, which removes the retrieval artifacts. This non-parametric approach does not require any a priori knowledge of the droplet size distribution functional shape and is computationally fast (no look-up tables, no fitting, computations are the same as for the forward modeling).

Neuroglian stabilizes epithelial structure during Drosophila oogenesis.

PubMed

Wei, Jun; Hortsch, Michael; Goode, Scott

2004-08-01

The vertebrate L1 family of cell adhesion molecules (CAMs) and their fly homolog, Neuroglian, are members of the immunoglobulin (Ig) superfamily of CAMs. In general, Ig CAMs have been found to play critical roles in mediating axon guidance. One Ig CAM, NCAM, has also been implicated in maintaining epithelial integrity and suppressing metastatic dissemination of tumor cells. Other Ig CAMs, such as Nrg, are also expressed in epithelia. We thus tested the hypothesis that, like NCAM, Nrg might also be required for maintaining epithelial integrity and for inhibiting tumor invasion. We used the Drosophila follicular epithelium to determine the function of Nrg in vivo in maintaining epithelial structure, and in regulating the motility of migrating border cells and invasive tumorous follicle cells. Nrg(167) is expressed on the lateral membrane of follicle cells. Loss of Nrg(167) causes border cells to delay delamination and causes other follicle cells to delaminate inappropriately. The delaminated cells have aberrant epithelial polarity manifested as severe mislocalization of apical and basal membrane proteins, and uniform localization of lateral membrane proteins. Furthermore, loss of Nrg(167) dramatically enhances the invasive phenotype associated with loss of Discs Large, a neoplastic tumor suppressor. These results indicate that Nrg(167) stabilizes epithelial polarity by regulating junctional adhesion and function in normal and tumorous epithelia. Our data also suggest that Ig superfamily members have significant functional redundancy in maintaining epithelial polarity, with individual members playing subtle, unique roles during epithelial morphogenesis. Copyright 2004 Wiley-Liss, Inc.

Study on structural, dielectric, ferroelectric and piezoelectric properties of Ba doped Lead Zirconate Titanate Ceramics

NASA Astrophysics Data System (ADS)

Dipti; Juneja, J. K.; Singh, Sangeeta; Raina, K. K.; Prakash, Chandra

2013-12-01

The perovskite Pb(1-x)BaxZr0.55Ti0.45O3 material (x=0.00, 0.01, 0.02, 0.03, 0.05, and 0.07) was synthesized by solid state reaction route. Green bodies were sintered at 1250 °C. All samples were subjected to X-ray diffraction analysis and they were found to be in single phase. Dielectric properties were studied as a function of temperature and frequency. Ferroelectric properties were studied as a function of temperature. Remnant polarization, saturation polarization and coercive field were determined for all the samples using ferroelectric loops. Piezoelectric properties such as d33 and electromechanical coupling factor (kp) were also measured at room temperature for all samples.

CDK-5 regulates the polarized trafficking of neuropeptide-containing dense-core vesicles in C. elegans motor neurons

PubMed Central

Goodwin, Patricia R.; Sasaki, Jennifer M.; Juo, Peter

2012-01-01

The polarized trafficking of axonal and dendritic proteins is essential for the structure and function of neurons. Cyclin-dependent kinase-5 (CDK-5) and its activator CDKA-1/p35 regulate diverse aspects of nervous system development and function. Here, we show that CDK-5 and CDKA-1/p35 are required for the polarized distribution of neuropeptide-containing dense-core vesicles (DCVs) in C. elegans cholinergic motor neurons. In cdk-5 or cdka-1/p35 mutants, the predominantly axonal localization of DCVs containing INS-22 neuropeptides was disrupted and DCVs accumulated in dendrites. Time-lapse microscopy in DB class motor neurons revealed decreased trafficking of DCVs in axons and increased trafficking and accumulation of DCVs in cdk-5 mutant dendrites. The polarized distribution of several axonal and dendritic markers, including synaptic vesicles, was unaltered in cdk-5 mutant DB neurons. We found that microtubule polarity is plus-end out in axons and predominantly minus-end out in dendrites of DB neurons. Surprisingly, cdk-5 mutants had increased amounts of plus-end-out microtubules in dendrites, suggesting that CDK-5 regulates microtubule orientation. However, these changes in microtubule polarity are not responsible for the increased trafficking of DCVs into dendrites. Genetic analysis of cdk-5 and the plus-end-directed axonal DCV motor unc-104/KIF1A suggest that increased trafficking of UNC-104 into dendrites cannot explain the dendritic DCV accumulation. Instead, we found that mutations in the minus-end-directed motor cytoplasmic dynein, completely block the increased DCVs observed in cdk-5 mutant dendrites without affecting microtubule polarity. We propose a model where CDK-5 regulates DCV polarity by both promoting DCV trafficking in axons and preventing dynein-dependent DCV trafficking into dendrites. PMID:22699897

Understanding of local structure-function relationships of zeolites used in industry through polarized raman spectroscopy

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

Rivera, O.; Lascola, R.; Fessler, K.

The overall objective of this project is to optics procurement and instrumental setup completed in Robert Lascola’s laboratory. An Ondax THz-Raman probe was installed in order to obtain Raman terahertz spectra of commercially available Zeolites.

Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part I. 3d Transition Metals

NASA Astrophysics Data System (ADS)

Ueda, Shigenori; Hamada, Ikutaro

2017-12-01

The X-ray polarization dependent valence band HAXPES spectra of 3d transition metals (TMs) of Ti-Zn were measured to investigate the orbital resolved electronic structures by utilizing that the fact the photoionization cross-section of the atomic orbitals strongly depends on the experimental geometry. We have calculated the HAXPES spectra, which correspond to the cross-section weighted densities of states (CSW-DOSs), where the DOSs were obtained by the density functional theory calculations, and we have determined the relative photoionization cross-sections of the 4s and 4p orbitals to the 3d orbital in the 3d TMs. The experimentally obtained bulk-sensitive 3d and 4s DOSs were good agreement with the calculated DOSs in Ti, V, Cr, and Cu. In contrast, the deviations between the experimental and calculated 3d DOSs for Mn, Fe, Co, Ni were found, suggesting that the electron correlation plays an important role in the electronic structures for these materials.

Surface Magnetism on pristine silicon thin film for spin and valley transport

NASA Astrophysics Data System (ADS)

Sun, Jia-Tao

The spin and valley degree of freedom for an electron have received tremendous attention in condensed matters physics because of the potential application for spintronics and valleytronics. It has been widely accepted that d0 light elemental materials of single component are not taken as ferromagnetic candidates because of the absence of odd paired electrons. The ferromagnetism has to be introduced by ferromagnetic impurity, edge functionalization, or proximity with ferromagnetic neighbors etc. These special surface or interface structures require atomically precise control which significantly increases experimental uncertainty and theoretical understanding. By means of density functional theory (DFT) computations, we found that the spin- and valley- polarized state can be introduced in pristine silicon thin films without any alien components. The key point to this aim is the formation of graphene-like hexagonal structures making a spin-polarized Dirac fermion with half-filling. The resulting fundamental physics such as quantum valley Hall effect (QVHE), quantum anomalous Hall effect (QAHE) and magnetoelectric effect will be discussed.

Electrical valley filtering in transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Hsieh, Tzu-Chi; Chou, Mei-Yin; Wu, Yu-Shu

2018-03-01

This work investigates the feasibility of electrical valley filtering for holes in transition metal dichalcogenides. We look specifically into the scheme that utilizes a potential barrier to produce valley-dependent tunneling rates, and perform the study with both a k .p -based analytic method and a recursive Green's function-based numerical method. The study yields the transmission coefficient as a function of incident energy and transverse wave vector, for holes going through lateral quantum barriers oriented in either armchair or zigzag directions, in both homogeneous and heterogeneous systems. The main findings are the following: (1) The tunneling current valley polarization increases with increasing barrier width or height; (2) both the valley-orbit interaction and band structure warping contribute to valley-dependent tunneling, with the former contribution being manifest in structures with asymmetric potential barriers, and the latter being orientation dependent and reaching maximum for transmission in the armchair direction; and (3) for transmission ˜0.1 , a tunneling current valley polarization of the order of 10 % can be achieved.

Quantization of Poisson Manifolds from the Integrability of the Modular Function

NASA Astrophysics Data System (ADS)

Bonechi, F.; Ciccoli, N.; Qiu, J.; Tarlini, M.

2014-10-01

We discuss a framework for quantizing a Poisson manifold via the quantization of its symplectic groupoid, combining the tools of geometric quantization with the results of Renault's theory of groupoid C*-algebras. This setting allows very singular polarizations. In particular, we consider the case when the modular function is multiplicatively integrable, i.e., when the space of leaves of the polarization inherits a groupoid structure. If suitable regularity conditions are satisfied, then one can define the quantum algebra as the convolution algebra of the subgroupoid of leaves satisfying the Bohr-Sommerfeld conditions. We apply this procedure to the case of a family of Poisson structures on , seen as Poisson homogeneous spaces of the standard Poisson-Lie group SU( n + 1). We show that a bihamiltonian system on defines a multiplicative integrable model on the symplectic groupoid; we compute the Bohr-Sommerfeld groupoid and show that it satisfies the needed properties for applying Renault theory. We recover and extend Sheu's description of quantum homogeneous spaces as groupoid C*-algebras.

Broadband and Wide Field-of-view Plasmonic Metasurface-enabled Waveplates

PubMed Central

Jiang, Zhi Hao; Lin, Lan; Ma, Ding; Yun, Seokho; Werner, Douglas H.; Liu, Zhiwen; Mayer, Theresa S.

2014-01-01

Quasi two-dimensional metasurfaces composed of subwavelength nanoresonator arrays can dramatically alter the properties of light in an ultra-thin planar geometry, enabling new optical functions such as anomalous reflection and refraction, polarization filtering, and wavefront modulation. However, previous metasurface-based nanostructures suffer from low efficiency, narrow bandwidth and/or limited field-of-view due to their operation near the plasmonic resonance. Here we demonstrate plasmonic metasurface-based nanostructures for high-efficiency, angle-insensitive polarization transformation over a broad octave-spanning bandwidth. The structures are realized by optimizing the anisotropic response of an array of strongly coupled nanorod resonators to tailor the interference of light at the subwavelength scale. Nanofabricated reflective half-wave and quarter-wave plates designed using this approach have measured polarization conversion ratios and reflection magnitudes greater than 92% over a broad wavelength range from 640 to 1290 nm and a wide field-of-view up to ±40°. This work outlines a versatile strategy to create metasurface-based photonics with diverse optical functionalities. PMID:25524830

Measurement of parity-violating spin asymmetries in W ± production at midrapidity in longitudinally polarized p + p collisions

DOE PAGES

Adare, A.

2016-03-23

In this article, we present midrapidity measurements from the PHENIX experiment of large parity-violating single-spin asymmetries of high transverse momentum electrons and positrons from W ±/Z decays, produced in longitudinally polarized p+p collisions at center of mass energies of √s=500 and 510 GeV. These asymmetries allow direct access to the antiquark polarized parton distribution functions due to the parity-violating nature of the W-boson coupling to quarks and antiquarks. The results presented are based on data collected in 2011, 2012, and 2013 with an integrated luminosity of 240 pb -1, which exceeds previous PHENIX published results by a factor of moremore » than 27. In addition, these high Q 2 data probe the parton structure of the proton at W mass scale and provide an important addition to our understanding of the antiquark parton helicity distribution functions at an intermediate Bjorken x value of roughly M W/√s=0.16.« less

Measurement of parity-violating spin asymmetries in W± production at midrapidity in longitudinally polarized p +p collisions

NASA Astrophysics Data System (ADS)

Adare, A.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Alexander, J.; Alfred, M.; Aoki, K.; Apadula, N.; Aramaki, Y.; Asano, H.; Aschenauer, E. C.; Atomssa, E. T.; Awes, T. C.; Azmoun, B.; Babintsev, V.; Bai, M.; Bai, X.; Bandara, N. S.; Bannier, B.; Barish, K. N.; Bassalleck, B.; Bathe, S.; Baublis, V.; Baumann, C.; Baumgart, S.; Bazilevsky, A.; Beaumier, M.; Beckman, S.; Belmont, R.; Berdnikov, A.; Berdnikov, Y.; Black, D.; Blau, D. S.; Bok, J. S.; Boyle, K.; Brooks, M. L.; Bryslawskyj, J.; Buesching, H.; Bumazhnov, V.; Butsyk, S.; Campbell, S.; Chen, C.-H.; Chi, C. Y.; Chiu, M.; Choi, I. J.; Choi, J. B.; Choi, S.; Choudhury, R. K.; Christiansen, P.; Chujo, T.; Chvala, O.; Cianciolo, V.; Citron, Z.; Cole, B. A.; Connors, M.; Cronin, N.; Crossette, N.; Csanád, M.; Csörgő, T.; Dairaku, S.; Danley, T. W.; Datta, A.; Daugherity, M. S.; David, G.; Deblasio, K.; Dehmelt, K.; Denisov, A.; Deshpande, A.; Desmond, E. J.; Dietzsch, O.; Ding, L.; Dion, A.; Diss, P. B.; Do, J. H.; Donadelli, M.; D'Orazio, L.; Drapier, O.; Drees, A.; Drees, K. A.; Durham, J. M.; Durum, A.; Edwards, S.; Efremenko, Y. V.; Engelmore, T.; Enokizono, A.; En'yo, H.; Esumi, S.; Eyser, K. O.; Fadem, B.; Feege, N.; Fields, D. E.; Finger, M.; Finger, M.; Fleuret, F.; Fokin, S. L.; Frantz, J. E.; Franz, A.; Frawley, A. D.; Fukao, Y.; Fusayasu, T.; Gainey, K.; Gal, C.; Gallus, P.; Garg, P.; Garishvili, A.; Garishvili, I.; Ge, H.; Giordano, F.; Glenn, A.; Gong, X.; Gonin, M.; Goto, Y.; Granier de Cassagnac, R.; Grau, N.; Greene, S. V.; Grosse Perdekamp, M.; Gu, Y.; Gunji, T.; Guragain, H.; Hachiya, T.; Haggerty, J. S.; Hahn, K. I.; Hamagaki, H.; Hamilton, H. F.; Han, S. Y.; Hanks, J.; Hasegawa, S.; Haseler, T. O. S.; Hashimoto, K.; Hayano, R.; Hayashi, S.; He, X.; Hemmick, T. K.; Hester, T.; Hill, J. C.; Hollis, R. S.; Homma, K.; Hong, B.; Horaguchi, T.; Hoshino, T.; Hotvedt, N.; Huang, J.; Huang, S.; Ichihara, T.; Iinuma, H.; Ikeda, Y.; Imai, K.; Imazu, Y.; Imrek, J.; Inaba, M.; Iordanova, A.; Isenhower, D.; Isinhue, A.; Ivanishchev, D.; Jacak, B. V.; Javani, M.; Jeon, S. J.; Jezghani, M.; Jia, J.; Jiang, X.; Johnson, B. M.; Joo, E.; Joo, K. S.; Jouan, D.; Jumper, D. S.; Kamin, J.; Kanda, S.; Kang, B. H.; Kang, J. H.; Kang, J. S.; Kapustinsky, J.; Karatsu, K.; Kawall, D.; Kazantsev, A. V.; Kempel, T.; Key, J. A.; Khachatryan, V.; Khandai, P. K.; Khanzadeev, A.; Kihara, K.; Kijima, K. M.; Kim, B. I.; Kim, C.; Kim, D. H.; Kim, D. J.; Kim, E.-J.; Kim, G. W.; Kim, H.-J.; Kim, M.; Kim, Y.-J.; Kim, Y. K.; Kimelman, B.; Kinney, E.; Kistenev, E.; Kitamura, R.; Klatsky, J.; Kleinjan, D.; Kline, P.; Koblesky, T.; Kofarago, M.; Komkov, B.; Koster, J.; Kotchetkov, D.; Kotov, D.; Krizek, F.; Kurita, K.; Kurosawa, M.; Kwon, Y.; Kyle, G. S.; Lacey, R.; Lai, Y. S.; Lajoie, J. G.; Lebedev, A.; Lee, D. M.; Lee, G. H.; Lee, J.; Lee, K. B.; Lee, K. S.; Lee, S.; Lee, S. H.; Lee, S. R.; Leitch, M. J.; Leite, M. A. L.; Leitgab, M.; Lewis, B.; Li, X.; Lim, S. H.; Linden Levy, L. A.; Liu, M. X.; Lynch, D.; Maguire, C. F.; Makdisi, Y. I.; Makek, M.; Manion, A.; Manko, V. I.; Mannel, E.; Maruyama, T.; McCumber, M.; McGaughey, P. L.; McGlinchey, D.; McKinney, C.; Meles, A.; Mendoza, M.; Meredith, B.; Miake, Y.; Mibe, T.; Midori, J.; Mignerey, A. C.; Miller, A. J.; Milov, A.; Mishra, D. K.; Mitchell, J. T.; Miyasaka, S.; Mizuno, S.; Mohanty, A. K.; Mohapatra, S.; Montuenga, P.; Moon, H. J.; Moon, T.; Morrison, D. P.; Moskowitz, M.; Moukhanova, T. V.; Murakami, T.; Murata, J.; Mwai, A.; Nagae, T.; Nagamiya, S.; Nagashima, K.; Nagle, J. L.; Nagy, M. I.; Nakagawa, I.; Nakagomi, H.; Nakamiya, Y.; Nakamura, K. R.; Nakamura, T.; Nakano, K.; Nattrass, C.; Netrakanti, P. K.; Nihashi, M.; Niida, T.; Nishimura, S.; Nouicer, R.; Novák, T.; Novitzky, N.; Nukariya, A.; Nyanin, A. S.; Obayashi, H.; O'Brien, E.; Ogilvie, C. A.; Oide, H.; Okada, K.; Orjuela Koop, J. D.; Osborn, J. D.; Oskarsson, A.; Ozaki, H.; Ozawa, K.; Pak, R.; Pantuev, V.; Papavassiliou, V.; Park, I. H.; Park, J. S.; Park, S.; Park, S. K.; Pate, S. F.; Patel, L.; Patel, M.; Pei, H.; Peng, J.-C.; Perepelitsa, D. V.; Perera, G. D. N.; Peressounko, D. Yu.; Perry, J.; Petti, R.; Pinkenburg, C.; Pinson, R.; Pisani, R. P.; Purschke, M. L.; Qu, H.; Rak, J.; Ramson, B. J.; Ravinovich, I.; Read, K. F.; Reynolds, D.; Riabov, V.; Riabov, Y.; Richardson, E.; Rinn, T.; Riveli, N.; Roach, D.; Roche, G.; Rolnick, S. D.; Rosati, M.; Rowan, Z.; Rubin, J. G.; Ryu, M. S.; Sahlmueller, B.; Saito, N.; Sakaguchi, T.; Sako, H.; Samsonov, V.; Sarsour, M.; Sato, S.; Sawada, S.; Schaefer, B.; Schmoll, B. K.; Sedgwick, K.; Seele, J.; Seidl, R.; Sekiguchi, Y.; Sen, A.; Seto, R.; Sett, P.; Sexton, A.; Sharma, D.; Shaver, A.; Shein, I.; Shibata, T.-A.; Shigaki, K.; Shimomura, M.; Shoji, K.; Shukla, P.; Sickles, A.; Silva, C. L.; Silvermyr, D.; Sim, K. S.; Singh, B. K.; Singh, C. P.; Singh, V.; Skolnik, M.; Slunečka, M.; Snowball, M.; Solano, S.; Soltz, R. A.; Sondheim, W. E.; Sorensen, S. P.; Sourikova, I. V.; Stankus, P. W.; Steinberg, P.; Stenlund, E.; Stepanov, M.; Ster, A.; Stoll, S. P.; Stone, M. R.; Sugitate, T.; Sukhanov, A.; Sumita, T.; Sun, J.; Sziklai, J.; Takagui, E. M.; Takahara, A.; Taketani, A.; Tanaka, Y.; Taneja, S.; Tanida, K.; Tannenbaum, M. J.; Tarafdar, S.; Taranenko, A.; Tennant, E.; Tieulent, R.; Timilsina, A.; Todoroki, T.; Tomášek, M.; Torii, H.; Towell, C. L.; Towell, M.; Towell, R.; Towell, R. S.; Tserruya, I.; Tsuchimoto, Y.; Vale, C.; van Hecke, H. W.; Vargyas, M.; Vazquez-Zambrano, E.; Veicht, A.; Velkovska, J.; Vértesi, R.; Virius, M.; Voas, B.; Vrba, V.; Vznuzdaev, E.; Wang, X. R.; Watanabe, D.; Watanabe, K.; Watanabe, Y.; Watanabe, Y. S.; Wei, F.; Whitaker, S.; White, A. S.; White, S. N.; Winter, D.; Wolin, S.; Woody, C. L.; Wysocki, M.; Xia, B.; Xue, L.; Yalcin, S.; Yamaguchi, Y. L.; Yanovich, A.; Ying, J.; Yokkaichi, S.; Yoo, J. H.; Yoon, I.; You, Z.; Younus, I.; Yu, H.; Yushmanov, I. E.; Zajc, W. A.; Zelenski, A.; Zhou, S.; Zou, L.; Phenix Collaboration

2016-03-01

We present midrapidity measurements from the PHENIX experiment of large parity-violating single-spin asymmetries of high transverse momentum electrons and positrons from W±/Z decays, produced in longitudinally polarized p +p collisions at center of mass energies of √{s }=500 and 510 GeV. These asymmetries allow direct access to the antiquark polarized parton distribution functions due to the parity-violating nature of the W -boson coupling to quarks and antiquarks. The results presented are based on data collected in 2011, 2012, and 2013 with an integrated luminosity of 240 pb-1 , which exceeds previous PHENIX published results by a factor of more than 27. These high Q2 data probe the parton structure of the proton at W mass scale and provide an important addition to our understanding of the antiquark parton helicity distribution functions at an intermediate Bjorken x value of roughly MW/√{s }=0.16 .

Influence of hydrophobization of fumed oxides on interactions with polar and nonpolar adsorbates

NASA Astrophysics Data System (ADS)

Gun'ko, V. M.; Pakhlov, E. M.; Goncharuk, O. V.; Andriyko, L. S.; Marynin, A. I.; Ukrainets, A. I.; Charmas, B.; Skubiszewska-Zięba, J.; Blitz, J. P.

2017-11-01

A variety of unmodified and modified fumed silica A-300 and silica/titania (ST20 and ST76 at 20 and 76 wt.% of titania, respectively) was prepared to analyze features of their interactions with polar and nonpolar adsorbates. The materials were studied using nitrogen adsorption-desorption, ethanol evaporation kinetics, infrared (IR) spectroscopy, thermogravimetry (TG), photon correlation spectroscopy, differential scanning calorimetry (DSC), DSC and TG thermoporometry, and quantum chemistry. Changes in surface structure of modified nanooxides with increasing hydrophobization degree (ΘMS) from 20% to 100% have a strong affect on the textural characteristics of the materials and adsorption-desorption of various adsorbates. Confined space effects enhanced due to the location of adsorbates in narrow voids between nanoparticles lead to freezing-melting point depression for bound polar and nonpolar adsorbates. The behavior of particles of modified nanooxides in aqueous and water/ethanol media is strongly altered due to enhanced aggregations with increasing value of ΘMS. All of these change are non-monotonic functions of ΘMS which affects (i) rearrangement of nanoparticles, (ii) interactions with polar and nonpolar adsorbates, (iii) location of adsorbates in voids of different sizes, (iv) the clustering of adsorbates and formation of nearly bulk structures.

Adaptive Identification and Characterization of Polar Ionization Patches

NASA Technical Reports Server (NTRS)

Coley, W. R.; Heelis, R. A.

1995-01-01

Dynamics Explorer 2 (DE 2) spacecraft data are used to detect and characterize polar cap 'ionization patches' loosely defined as large-scale (greater than 100 km) regions where the F region plasma density is significantly enhanced (approx greater than 100%) above the background level. These patches are generally believed to develop in or equatorward of the dayside cusp region and then drift in an antisunward direction over the polar cap. We have developed a flexible algorithm for the identification and characterization of these structures, as a function of scale-size and density enhancement, using data from the retarding potential analyzer, the ion drift meter, and the langmuir probe on board the DE 2 satellite. This algorithm was used to study the structure and evolution of ionization patches as they cross the polar cap. The results indicate that in the altitude region from 240 to 950 km ion density enhancements greater than a factor of 3 above the background level are relatively rare. Further, the ionization patches show a preferred horizontal scale size of 300-400 km. There exists a clear seasonal and universal time dependence to the occurrence frequency of patches with a northern hemisphere maximum centered on the winter solstice and the 1200-2000 UT interval.

Comparison of regional hydrological excitation of polar motion derived from hydrological models and the GRACE gravity field data

NASA Astrophysics Data System (ADS)

Nastula, J.; Kolaczek, B.; Salstein, D. A.

2009-09-01

Global geophysical excitation functions of polar motion do not explain fully the observed polar motion as determined by geodetic techniques. The impact of continental hydrologic signals, from land water, snow, and ice, on polar motion excitation HAM (Hydrological Angular Momentum), is still inadequately estimated and not known so well as atmospheric and oceanic ones. Recently the GRACE (Gravity Recovery and Climate Experiment) satellite mission monitoring Earth's time variable gravity field has allowed us to determine global mass term of the polar motion excitation functions, which inherently includes the atmospheric, oceanic and hydrological portions. We use these terms to make comparisons with the mass term of the geodetic and geophysical excitation functions of polar motion on seasonal scales. Global GRACE excitation function of polar motion and hydrological excitation function of polar motion have been determined and were studied earlier

Infrared polarimetry of Mrk 231: scattering off hot dust grains in the central core

NASA Astrophysics Data System (ADS)

Lopez-Rodriguez, E.; Packham, C.; Jones, T. J.; Siebenmorgen, R.; Roche, P. F.; Levenson, N. A.; Alonso-Herrero, A.; Perlman, E.; Ichikawa, K.; Ramos Almeida, C.; González-Martín, O.; Nikutta, R.; Martinez-Paredez, M.; Shenoy, D.; Gordon, M. S.; Telesco, C. M.

2017-01-01

We present high-angular (0.17-0.35 arcsec) resolution imaging polarimetric observations of Mrk 231 in the 3.1 μm filter using MMT-Pol on the 6.5-m MMT, and in the 8.7, 10.3, and 11.6 μm filters using CanariCam on the 10.4-m Gran Telescopio CANARIAS. In combination with already published observations, we compile the 1-12 μm total and polarized nuclear spectral energy distribution (SED). The total flux SED in the central 400 pc is explained as the combination of (1) a hot (731 ± 4 K) dusty structure, directly irradiated by the central engine, which is at 1.6 ± 0.1 pc away and attributed to be in the pc-scale polar region, (2) an optically-thick, smooth and disc-like dusty structure (`torus') with an inclination of 48° ± 23° surrounding the central engine, and (3) an extinguished (AV = 36 ± 5 mag) starburst component. The polarized SED decreases from 0.77 ± 0.14 per cent at 1.2 μm to 0.31 ± 0.15 per cent at 11.6 μm and follows a power-law function, λ˜0.57. The polarization angle remains constant (˜108°) in the 1-12 μm wavelength range. The dominant polarization mechanism is explained as scattering-off hot dust grains in the pc-scale polar regions.

Ferroelectric ferrimagnetic LiFe2F6 : Charge-ordering-mediated magnetoelectricity

NASA Astrophysics Data System (ADS)

Lin, Ling-Fang; Xu, Qiao-Ru; Zhang, Yang; Zhang, Jun-Jie; Liang, Yan-Ping; Dong, Shuai

2017-12-01

Trirutile-type LiFe2F6 is a charge-ordered material with an Fe2 +/Fe3 + configuration. Here, its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On one hand, the charge ordering leads to improper ferroelectricity with a large polarization. On the other hand, its magnetic ground state can be tuned from the antiferromagnetic to ferrimagnetic by moderate compressive strain. Thus, LiFe2F6 can be a rare multiferroic with both large magnetization and polarization. Most importantly, since the charge ordering is the common ingredient for both ferroelectricity and magnetization, the net magnetization may be fully switched by flipping the polarization, rendering intrinsically strong magnetoelectric effects and desirable functions.

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.

Polarized BRDF measurement of the type E235B low carbon structural steel

NASA Astrophysics Data System (ADS)

Liu, Yanlei; Yu, Kun; Zhang, Kaihua; Liu, Yufang

2018-01-01

Bidirectional reflectance distribution function (BRDF) offers complete description of the spectral and spatial characteristics of opaque materials. The polarized BRDF contains more information, especially for the painted objects and target recognition. In this letter, we measured the in plane polarized spectral BRDF for the steel E235B in the wavelength range of 450-600 nm. The reliability of our results is verified by comparing the experimental data of polytetrafluoroethylene with the reference data. The measuring results indicates that the wavelength of incident light has a positive effect on the BRDF near the specular direction, and has a negative influence for other direction. BRDF increases slowly with reflected zenith angle and decreases rapidly with peak occurs at specular direction, which may be attributed to the shadowing effect. In addition, the results presents that the polarization of incident light has a slight influence on the BRDF of the sample.

Mueller matrix polarimetry imaging for breast cancer analysis (Conference Presentation)

NASA Astrophysics Data System (ADS)

Gribble, Adam; Vitkin, Alex

2017-02-01

Polarized light has many applications in biomedical imaging. The interaction of a biological sample with polarized light reveals information about its biological composition, both structural and functional. The most comprehensive type of polarimetry analysis is to measure the Mueller matrix, a polarization transfer function that completely describes how a sample interacts with polarized light. However, determination of the Mueller matrix requires tissue analysis under many different states of polarized light; a time consuming and measurement intensive process. Here we address this limitation with a new rapid polarimetry system, and use this polarimetry platform to investigate a variety of tissue changes associated with breast cancer. We have recently developed a rapid polarimetry imaging platform based on four photoelastic modulators (PEMs). The PEMs generate fast polarization modulations that allow the complete sample Mueller matrix to be imaged over a large field of view, with no moving parts. This polarimetry system is then demonstrated to be sensitive to a variety of tissue changes that are relevant to breast cancer. Specifically, we show that changes in depolarization can reveal tumor margins, and can differentiate between viable and necrotic breast cancer metastasized to the lymph nodes. Furthermore, the polarimetric property of linear retardance (related to birefringence) is dependent on collagen organization in the extracellular matrix. These findings indicate that our polarimetry platform may have future applications in fields such as breast cancer diagnosis, improving the speed and efficacy of intraoperative pathology, and providing prognostic information that may be beneficial for guiding treatment.

Design of a 9K illumina BeadChip for polar bears (Ursus maritimus) from RAD and transcriptome sequencing.

PubMed

Malenfant, René M; Coltman, David W; Davis, Corey S

2015-05-01

Single-nucleotide polymorphisms (SNPs) offer numerous advantages over anonymous markers such as microsatellites, including improved estimation of population parameters, finer-scale resolution of population structure and more precise genomic dissection of quantitative traits. However, many SNPs are needed to equal the resolution of a single microsatellite, and reliable large-scale genotyping of SNPs remains a challenge in nonmodel species. Here, we document the creation of a 9K Illumina Infinium BeadChip for polar bears (Ursus maritimus), which will be used to investigate: (i) the fine-scale population structure among Canadian polar bears and (ii) the genomic architecture of phenotypic traits in the Western Hudson Bay subpopulation. To this end, we used restriction-site associated DNA (RAD) sequencing from 38 bears across their circumpolar range, as well as blood/fat transcriptome sequencing of 10 individuals from Western Hudson Bay. Six-thousand RAD SNPs and 3000 transcriptomic SNPs were selected for the chip, based primarily on genomic spacing and gene function respectively. Of the 9000 SNPs ordered from Illumina, 8042 were successfully printed, and - after genotyping 1450 polar bears - 5441 of these SNPs were found to be well clustered and polymorphic. Using this array, we show rapid linkage disequilibrium decay among polar bears, we demonstrate that in a subsample of 78 individuals, our SNPs detect known genetic structure more clearly than 24 microsatellites genotyped for the same individuals and that these results are not driven by the SNP ascertainment scheme. Here, we present one of the first large-scale genotyping resources designed for a threatened species. © 2014 John Wiley & Sons Ltd.

Modified polarized geometrical attenuation model for bidirectional reflection distribution function based on random surface microfacet theory.

PubMed

Liu, Hong; Zhu, Jingping; Wang, Kai

2015-08-24

The geometrical attenuation model given by Blinn was widely used in the geometrical optics bidirectional reflectance distribution function (BRDF) models. Blinn's geometrical attenuation model based on symmetrical V-groove assumption and ray scalar theory causes obvious inaccuracies in BRDF curves and negatives the effects of polarization. Aiming at these questions, a modified polarized geometrical attenuation model based on random surface microfacet theory is presented by combining of masking and shadowing effects and polarized effect. The p-polarized, s-polarized and unpolarized geometrical attenuation functions are given in their separate expressions and are validated with experimental data of two samples. It shows that the modified polarized geometrical attenuation function reaches better physical rationality, improves the precision of BRDF model, and widens the applications for different polarization.

Rotation measure synthesis at the 2 m wavelength of the FAN region: unveiling screens and bubbles

NASA Astrophysics Data System (ADS)

Iacobelli, M.; Haverkorn, M.; Katgert, P.

2013-01-01

Context. Rotation measure synthesis of the Westerbork Synthesis Radio Telescope (WSRT) observations at λ ~ 2 m of the FAN region at l = 137°, b = +7° shows the morphology of structures in the ionized interstellar medium. Aims: We interpret the diffuse polarized synchrotron emission in terms of coherent structures in the interstellar medium and the properties of the interstellar magnetic field. Methods: We performed statistical analysis of the polarization data cube obtained through rotation measure synthesis. For the first time, cross-correlation is applied to identify and characterize polarized structures in Faraday depth space. Complementary information about the medium are derived from Hα emission, properties of nearby pulsars, and optical polarized starlight measurements. Results: We find an overall asymmetric Faraday dispersion function in a Faraday depth range of [-13, +5] rad m-2, which is peaked around -1 rad m-2. Three morphological patterns are recognized, showing structures on scales from degrees down to the beam size. The first structure is a nearby synchrotron emission component with low Faraday depth, filling the entire field of view. The second pattern is a circular polarization structure with enhanced (negative) Faraday depth, which has the same morphology as a low-emission region within the third component. This third component is interpreted as the background in which the circular structure is embedded. At low Faraday depth values, a low gradient across the imaged field is detected, almost aligned with the Galactic plane. Power spectra of polarized structures in Faraday depth space provide evidence of turbulence. Conclusions: A sign reversal in Faraday depth from the nearby component to the circular component indicates a reversal of the magnetic field component along the line of sight, from towards the observer and nearby to away from the observer at large distances. The distance to the nearby, extended component is estimated as ≲100 pc, which suggests that this structure corresponds to the Local Bubble wall. For the circular component, various physical interpretations are discussed. The most likely explanation is that the circular component seems to be the presence of a nearby (~200 pc away) relic Strömgren sphere, associated with an old unidentified white dwarf star and expanding in a low-density environment. Faraday rotation datacubes are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/549/A56

Fiber-based polarization-sensitive OCT of the human retina with correction of system polarization distortions

PubMed Central

Braaf, Boy; Vermeer, Koenraad A.; de Groot, Mattijs; Vienola, Kari V.; de Boer, Johannes F.

2014-01-01

In polarization-sensitive optical coherence tomography (PS-OCT) the use of single-mode fibers causes unpredictable polarization distortions which can result in increased noise levels and erroneous changes in calculated polarization parameters. In the current paper this problem is addressed by a new Jones matrix analysis method that measures and corrects system polarization distortions as a function of wavenumber by spectral analysis of the sample surface polarization state and deeper located birefringent tissue structures. This method was implemented on a passive-component depth-multiplexed swept-source PS-OCT system at 1040 nm which was theoretically modeled using Jones matrix calculus. High-resolution B-scan images are presented of the double-pass phase retardation, diattenuation, and relative optic axis orientation to show the benefits of the new analysis method for in vivo imaging of the human retina. The correction of system polarization distortions yielded reduced phase retardation noise, and better estimates of the diattenuation and the relative optic axis orientation in weakly birefringent tissues. The clinical potential of the system is shown by en face visualization of the phase retardation and optic axis orientation of the retinal nerve fiber layer in a healthy volunteer and a glaucoma patient with nerve fiber loss. PMID:25136498

The structure and phase of cloud tops as observed by polarization lidar

NASA Technical Reports Server (NTRS)

Spinhirne, J. D.; Hansen, M. Z.; Simpson, J.

1983-01-01

High-resolution observations of the structure of cloud tops have been obtained with polarization lidar operated from a high altitude aircraft. Case studies of measurements acquired from cumuliform cloud systems are presented, two from September 1979 observations in the area of Florida and adjacent waters and a third during the May 1981 CCOPE experiment in southeast Montana. Accurate cloud top height structure and relative density of hydrometers are obtained from the lidar return signal intensity. Correlation between the signal return intensity and active updrafts was noted. Thin cirrus overlying developing turrets was observed in some cases. Typical values of the observed backscatter cross section were 0.1-5 (km/sr) for cumulonimbus tops. The depolarization ratio of the lidar signals was a function of the thermodynamic phase of cloud top areas. An increase of the cloud top depolarization with decreasing temperature was found for temperatures above and below -40 C.

Functional analysis of tight junction organization.

PubMed

DiBona, D R

1985-01-01

The functional basis of tight junction design has been examined from the point of view that this rate-limiting barrier to paracellular transport is a multicompartment system. Review of the osmotic sensitivity of these structures points to the need for this sort of analysis for meaningful correlation of structure and function under a range of conditions. A similar conclusion is drawn with respect to results from voltage-clamping protocols where reversal of spontaneous transmural potential difference elicits parallel changes in both structure and function in much the same way as does reversal of naturally occurring osmotic gradients. In each case, it becomes necessary to regard the junction as a functionally polarized structure to account for observations of its rectifying properties. Lastly, the details of experimentally-induced junction deformation are examined in light of current theories of its organization; arguments are presented in favor of the view that the primary components of intramembranous organization (as viewed with freeze-fracture techniques) are lipidic rather than proteinaceous.

Visualization of structural organization of ventral membranes of sheared-open resorbing osteoclasts attached to apatite pellets.

PubMed

Akisaka, Toshitaka; Yoshida, Atsushi

2015-05-01

Osteoclasts are highly polarized cells from both morphological and functional points of view. Using quick-freeze, rotary-replication methods combined with cell-shearing, we clarified the variability of cytoplasmic surface of the polarized membranes of osteoclasts seeded on apatite. As to the organization of actin filaments and clathrin sheets, we confirmed almost the same ventral membrane specializations of osteoclasts on apatite as seen on glass plates. The organized actin filaments and membrane-associated particles supported the ruffled border membranes. Inside the actin sealing zone, membrane specializations were not always occupied with the ruffled border but also with other types of membranes. Some osteoclasts formed an actin ring but lacked the ruffled border projections. We report a unique and distinctive membrane modification of apatite-attached osteoclasts, i.e., the presence of dense aggregates of membrane-associated particles and related structures not found in the osteoclasts seeded on glass plates. Actin filament polarity in the podosomes was determined by decoration with myosin S1. The actin filament polarity within podosome appears to be oriented predominantly with its barbed ends toward the core, whereas the interconnecting F-actin appears to be mixed oriented. Two different types of clathrin plaques displayed different distributions: clathrin-dependent endocytosis was observed in the ruffled border regions, whereas flat clathrin sheets were found in the leading edge of lamellipodia and near podosomes. The clathrin sheets adhered to the apatite surface tightly on the ventral membranes overlaying the resorption lacunae. All these membrane specializations as mentioned above may indicate the functional variability of osteoclasts seeded on apatite.

Manipulation of visible-light polarization with dendritic cell-cluster metasurfaces.

PubMed

Fang, Zhen-Hua; Chen, Huan; An, Di; Luo, Chun-Rong; Zhao, Xiao-Peng

2018-06-26

Cross-polarization conversion plays an important role in visible light manipulation. Metasurface with asymmetric structure can be used to achieve polarization conversion of linearly polarized light. Based on this, we design a quasi-periodic dendritic metasurface model composed of asymmetric dendritic cells. The simulation indicates that the asymmetric dendritic structure can vertically rotate the polarization direction of the linear polarization wave in visible light. Silver dendritic cell-cluster metasurface samples were prepared by the bottom-up electrochemical deposition. It experimentally proved that they could realize the cross - polarization conversion in visible light. Cross-polarized propagating light is deflected into anomalous refraction channels. Dendritic cell-cluster metasurface with asymmetric quasi-periodic structure conveys significance in cross-polarization conversion research and features extensive practical application prospect and development potential.

Myosin-X functions in polarized epithelial cells

PubMed Central

Liu, Katy C.; Jacobs, Damon T.; Dunn, Brian D.; Fanning, Alan S.; Cheney, Richard E.

2012-01-01

Myosin-X (Myo10) is an unconventional myosin that localizes to the tips of filopodia and has critical functions in filopodia. Although Myo10 has been studied primarily in nonpolarized, fibroblast-like cells, Myo10 is expressed in vivo in many epithelia-rich tissues, such as kidney. In this study, we investigate the localization and functions of Myo10 in polarized epithelial cells, using Madin-Darby canine kidney II cells as a model system. Calcium-switch experiments demonstrate that, during junction assembly, green fluorescent protein–Myo10 localizes to lateral membrane cell–cell contacts and to filopodia-like structures imaged by total internal reflection fluorescence on the basal surface. Knockdown of Myo10 leads to delayed recruitment of E-cadherin and ZO-1 to junctions, as well as a delay in tight junction barrier formation, as indicated by a delay in the development of peak transepithelial electrical resistance (TER). Although Myo10 knockdown cells eventually mature into monolayers with normal TER, these monolayers do exhibit increased paracellular permeability to fluorescent dextrans. Importantly, knockdown of Myo10 leads to mitotic spindle misorientation, and in three-dimensional culture, Myo10 knockdown cysts exhibit defects in lumen formation. Together these results reveal that Myo10 functions in polarized epithelial cells in junction formation, regulation of paracellular permeability, and epithelial morphogenesis. PMID:22419816

pp Elastic Scattering: New results from EDDA (COSY)

NASA Astrophysics Data System (ADS)

Scobel, W.

2000-06-01

In the EDDA experiment excitation functions of proton-proton elastic scattering are studied with narrow steps in the projectile momentum range from 0.8 to 3.4 GeV/c and the angular range 35°⩽Θcm⩽90° with a detector providing ΔΘcm≈1.4° resolution and 85% solid angle coverage. Measurements are performed continuously during projectile acceleration in the Cooler Synchrotron COSY. In phase 1 of the experiment spin-averaged differential cross sections dσ/dΩ have been measured with an internal CH2 fiber target; background corrections were derived from measurements with a carbon fiber target and from Monte Carlo simulations of inelastic pp contributions. The results provide excitation functions and angular distributions of high precision and internal consistency. In phase 2 of the experiment excitation functions of the analyzing power AN have been measured using a polarized (P⩾75%) atomic beam target, and those of the polarization correlation parameters ANN, ASS and ASL will be measured lateron with the polarized COSY beam. The measured excitation functions are compared to recent phase shift analyses, and their impact on them is discussed. So far evidence for narrow structures was neither found in the spin averaged cross sections nor in the analyzing powers.

Spontaneous Ionic Polarization in Ammonia-Based Ionic Liquid [Spontaneous Ionic Polarization in Ionic Liquid

DOE PAGES

Kim, Ki-jeong; Yuan, Hongtao; Jang, Hoyoung; ...

2018-05-24

Ionic liquids and gels have attracted attention for a variety of energy storage applications, as well as for high performance electrolytes for batteries and super-capacitors. Although the electronic structure of ionic electrolytes in these applications is of practical importance for device design and improved performance, the understanding of the electronic structure of ionic liquids and gels is still at an early stage. Here we report soft x-ray spectroscopic measurements of the surface electronic structure of a representative ammonia-based ionic gel (DEME-TFSI with PSPMMA- PS copolymer). We observe that near the outermost surface, the area of the anion peak (1s Nmore » - core level in TFSI) is relatively larger than that of the cation peak (N + in DEME). This spontaneous ionic polarization of the electrolyte surface, which is absent for the pure ionic liquid without copolymer, can be directly tuned by the copolymer content in the ionic gel, and further results in a modulation in work function. Finally, these results shed new light on the control of surface electronic properties of ionic electrolytes, as well as a difference between their implementation in ionic liquids and gels.« less

Spontaneous Ionic Polarization in Ammonia-Based Ionic Liquid [Spontaneous Ionic Polarization in Ionic Liquid

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

Kim, Ki-jeong; Yuan, Hongtao; Jang, Hoyoung

Ionic liquids and gels have attracted attention for a variety of energy storage applications, as well as for high performance electrolytes for batteries and super-capacitors. Although the electronic structure of ionic electrolytes in these applications is of practical importance for device design and improved performance, the understanding of the electronic structure of ionic liquids and gels is still at an early stage. Here we report soft x-ray spectroscopic measurements of the surface electronic structure of a representative ammonia-based ionic gel (DEME-TFSI with PSPMMA- PS copolymer). We observe that near the outermost surface, the area of the anion peak (1s Nmore » - core level in TFSI) is relatively larger than that of the cation peak (N + in DEME). This spontaneous ionic polarization of the electrolyte surface, which is absent for the pure ionic liquid without copolymer, can be directly tuned by the copolymer content in the ionic gel, and further results in a modulation in work function. Finally, these results shed new light on the control of surface electronic properties of ionic electrolytes, as well as a difference between their implementation in ionic liquids and gels.« less

Waveguide Grating For Polarization Preprocessing Circuits

NASA Astrophysics Data System (ADS)

Voirin, Guy; Gradisnik, F.; Parriaux, Olivier M.; Gale, Michael T.; Kunz, Rino E.; Curtis, B. J.; Lehmann, Hans W.

1989-12-01

Periodically corrugated optical waveguides on glass with non-collinear coupling have been investigated both theoretically and experimentally. For a TE or TM polarized guided mode of a planar waveguide obliquely incident on a grating pad, there are four characteristic angles corresponding to the coupling with TE and TM reflected modes fulfilling the Bragg condition. The reflectivity is obtained by solving the coupled mode equations for the non-collinear case. The modelling shows that integrated passive functions such as polarization splitting and interference can be achieved. The polarization interference element uses the property that the coupling coefficients TM-TE and TE-TE are equal at defined incidence angles. Since the angle between the two reflected TE beams is only a few minutes of arc, the two beams can interfere. The waveguides are made by K+ ion exchange in BK7 glass for 3 hours at 380°C. The structure was designed for use at a wavelength of 633 nm and uses a 485 nm period grating which was fabricated by holographic exposure and plasma etching techniques in a 50 nm TiO2 layer e-beam evaporated onto the glass surface. The reflectivity of the grating structure was studied experimentally and compared with theory. The diffraction angles are within 30 " of arc of the predicted angles. The measured reflectivities reached 20 %. The feasibility of realizing an integrated optic preprocessing circuit for polarization interferometry has been demonstrated.

Helicity-dependent cross sections and double-polarization observable E in η photoproduction from quasifree protons and neutrons

NASA Astrophysics Data System (ADS)

Witthauer, L.; Dieterle, M.; Abt, S.; Achenbach, P.; Afzal, F.; Ahmed, Z.; Akondi, C. S.; Annand, J. R. M.; Arends, H. J.; Bashkanov, M.; Beck, R.; Biroth, M.; Borisov, N. S.; Braghieri, A.; Briscoe, W. J.; Cividini, F.; Costanza, S.; Collicott, C.; Denig, A.; Downie, E. J.; Drexler, P.; Ferretti-Bondy, M. I.; Gardner, S.; Garni, S.; Glazier, D. I.; Glowa, D.; Gradl, W.; Günther, M.; Gurevich, G. M.; Hamilton, D.; Hornidge, D.; Huber, G. M.; Käser, A.; Kashevarov, V. L.; Kay, S.; Keshelashvili, I.; Kondratiev, R.; Korolija, M.; Krusche, B.; Lazarev, A. B.; Linturi, J. M.; Lisin, V.; Livingston, K.; Lutterer, S.; MacGregor, I. J. D.; Mancell, J.; Manley, D. M.; Martel, P. P.; Metag, V.; Meyer, W.; Miskimen, R.; Mornacchi, E.; Mushkarenkov, A.; Neganov, A. B.; Neiser, A.; Oberle, M.; Ostrick, M.; Otte, P. B.; Paudyal, D.; Pedroni, P.; Polonski, A.; Prakhov, S. N.; Rajabi, A.; Reicherz, G.; Ron, G.; Rostomyan, T.; Sarty, A.; Sfienti, C.; Sikora, M. H.; Sokhoyan, V.; Spieker, K.; Steffen, O.; Strakovsky, I. I.; Strub, Th.; Supek, I.; Thiel, A.; Thiel, M.; Thomas, A.; Unverzagt, M.; Usov, Yu. A.; Wagner, S.; Walford, N. K.; Watts, D. P.; Werthmüller, D.; Wettig, J.; Wolfes, M.; Zana, L.; A2 Collaboration at MAMI

2017-05-01

Precise helicity-dependent cross sections and the double-polarization observable E were measured for η photoproduction from quasifree protons and neutrons bound in the deuteron. The η →2 γ and η →3 π0→6 γ decay modes were used to optimize the statistical quality of the data and to estimate systematic uncertainties. The measurement used the A2 detector setup at the tagged photon beam of the electron accelerator MAMI in Mainz. A longitudinally polarized deuterated butanol target was used in combination with a circularly polarized photon beam from bremsstrahlung of a longitudinally polarized electron beam. The reaction products were detected with the electromagnetic calorimeters Crystal Ball and TAPS, which covered 98% of the full solid angle. The results show that the narrow structure observed earlier in the unpolarized excitation function of η photoproduction off the neutron appears only in reactions with antiparallel photon and nucleon spin (σ1 /2). It is absent for reactions with parallel spin orientation (σ3 /2) and thus very probably related to partial waves with total spin 1/2. The behavior of the angular distributions of the helicity-dependent cross sections was analyzed by fitting them withLegendre polynomials. The results are in good agreement with a model from the Bonn-Gatchina group, which uses an interference of P11 and S11 partial waves to explain the narrow structure.

Transport spin dependent in nanostructures: Current and geometry effect of quantum dots in presence of spin-orbit interaction

NASA Astrophysics Data System (ADS)

Paredes-Gutiérrez, H.; Pérez-Merchancano, S. T.; Beltran-Rios, C. L.

2017-12-01

In this work, we study the quantum electron transport through a Quantum Dots Structure (QDs), with different geometries, embedded in a Quantum Well (QW). The behaviour of the current through the nanostructure (dot and well) is studied considering the orbital spin coupling of the electrons and the Rashba effect, by means of the second quantization theory and the standard model of Green’s functions. Our results show the behaviour of the current in the quantum system as a function of the electric field, presenting resonant states for specific values of both the external field and the spin polarization. Similarly, the behaviour of the current on the nanostructure changes when the geometry of the QD and the size of the same are modified as a function of the polarization of the electron spin and the potential of quantum confinement.

The role of the collaborative functions of the composite structure of organic and inorganic constituents and their influence on the electrical properties of human bone.

PubMed

Kohata, Kazuhiro; Itoh, Soichiro; Horiuchi, Naohiro; Yoshioka, Taro; Yamashita, Kimihiro

2016-08-12

The electrical potential, which is generated in bone by collagen displacement, has been well documented. However, the role of mineral crystals in bone piezoelectricity has not yet been elucidated. We examined the mechanism that the composite structure of organic and inorganic constituents and their collaborative functions play an important role in the electrical properties of human bone. The electrical potential and bone structure were evaluated using thermally stimulated depolarized current (TSDC) and micro computed tomography, respectively. After electrical polarization of bone specimens, the stored electrical charge was calculated using TSDC measurements. The CO3/PO4 peak ratio was calculated using attenuated total reflection to compare the content of carbonate ion in the bone specimens. The TSDC curve contained 3 peaks at 100, 300 and 500°C, which were classified into 4 patterns. The CO3/PO4 peak ratio positively correlated with the stored charges at approximately 300°C in the polarized bone. There was a positive correlation between the stored bone charge and the bone mineral density only. It is suggested that the peak at 300°C is attributed to carbonate apatite and the total bone mass of human bone, not the three-dimensional structure, affects the stored charge.

Hybrid reflection type metasurface of nano-antennas designed for optical needle field generation

NASA Astrophysics Data System (ADS)

Wang, Shiyi; Zhan, Qiwen

2015-03-01

We propose a reflection type metal-insulator-metal (MIM) metasurface composed of hybrid optical antennas for comprehensive spatial engineering the properties of optical fields. Its capability is illustrated with an example to create a radially polarized vectorial beam for optical needle field generation. Functioning as local quarter-wave-plates (QWP), the MIM metasurface is designed to convert circularly polarized incident into local linear polarization to create an overall radial polarization with corresponding binary phases and desired normalized amplitude modulation ranged from 0.07 to 1. To obtain enough degrees of freedom, the optical-antenna layer comprises periodic arrangements of double metallic nano-bars with perpendicular placement and single nano-bars respectively for different amplitude modulation requirements. Both of the antennas enable to introduce π/2 retardation while reaching the desired modulation range both for phase and amplitude. Through adjusting the antennas' geometry and array carefully, we shift the gap-surface plasmon resonances facilitated by optical antennas to realize the manipulation of vectorial properties. Designed at 1064 nm wavelength, the particularly generated vectorial light output can be further tightly focused by a high numerical aperture objective to obtain longitudinally polarized flat-top focal field. The so-called optical needle field is a promising candidate for novel applications that transcend disciplinary boundaries. The proposed metasurface establishes a new class of compact optical components based on nano-scale structures, leading to compound functions for vectorial light generation.

Band-to-band transitions, selection rules, effective mass, and excitonic contributions in monoclinic β -Ga2O3

NASA Astrophysics Data System (ADS)

Mock, Alyssa; Korlacki, Rafał; Briley, Chad; Darakchieva, Vanya; Monemar, Bo; Kumagai, Yoshinao; Goto, Ken; Higashiwaki, Masataka; Schubert, Mathias

2017-12-01

We employ an eigenpolarization model including the description of direction dependent excitonic effects for rendering critical point structures within the dielectric function tensor of monoclinic β -Ga2O3 yielding a comprehensive analysis of generalized ellipsometry data obtained from 0.75-9 eV. The eigenpolarization model permits complete description of the dielectric response. We obtain, for single-electron and excitonic band-to-band transitions, anisotropic critical point model parameters including their polarization vectors within the monoclinic lattice. We compare our experimental analysis with results from density functional theory calculations performed using the Gaussian-attenuation-Perdew-Burke-Ernzerhof hybrid density functional. We present and discuss the order of the fundamental direct band-to-band transitions and their polarization selection rules, the electron and hole effective mass parameters for the three lowest band-to-band transitions, and their excitonic contributions. We find that the effective masses for holes are highly anisotropic and correlate with the selection rules for the fundamental band-to-band transitions. The observed transitions are polarized close to the direction of the lowest hole effective mass for the valence band participating in the transition.

Interfaces between hexagonal and cubic oxides and their structure alternatives

DOE PAGES

Zhou, Hua; Wu, Lijun; Wang, Hui-Qiong; ...

2017-11-14

Multi-layer structure of functional materials often involves the integration of different crystalline phases. The film growth orientation thus frequently exhibits a transformation, owing to multiple possibilities caused by incompatible in-plane structural symmetry. Nevertheless, the detailed mechanism of the transformation has not yet been fully explored. Here we thoroughly probe the heteroepitaxially grown hexagonal zinc oxide (ZnO) films on cubic (001)-magnesium oxide (MgO) substrates using advanced scanning transition electron microscopy, X-ray diffraction and first principles calculations, revealing two distinct interface models of (001) ZnO/(001) MgO and (100) ZnO/(001) MgO. Here we have found that the structure alternatives are controlled thermodynamically bymore » the nucleation, while kinetically by the enhanced Zn adsorption and O diffusion upon the phase transformation. Finally, this work not only provides a guideline for the interface fabrication with distinct crystalline phases but also shows how polar and non-polar hexagonal ZnO films might be manipulated on the same cubic substrate.« less

Molecular mechanism of carbon nanotube to activate Subtilisin Carlsberg in polar and non-polar organic media

NASA Astrophysics Data System (ADS)

Zhang, Liyun; Li, Yuzhi; Yuan, Yuan; Jiang, Yuanyuan; Guo, Yanzhi; Li, Menglong; Pu, Xuemei

2016-11-01

In the work, we mainly used molecular dynamics (MD) simulation and protein structure network (PSN) to study subtilisin Carlsberg (SC) immobilized onto carbon nanotube (CNT) in water, acetonitrile and heptane solvents, in order to explore activation mechanism of enzymes in non-aqueous media. The result indicates that the affinity of SC with CNT follows the decreasing order of water > acetonitrile > heptane. The overall structure of SC and the catalytic triad display strong robustness to the change of environments, responsible for the activity retaining. However, the distances between two β-strands of substrate-binding pocket are significantly expanded by the immobilization in the increasing order of water < acetonitrile < heptane, contributing to the highest substrate-binding energy in heptane media. PSN analysis further reveals that the immobilization enhances structural communication paths to the substrate-binding pocket, leading to its larger change than the free-enzymes. Interestingly, the increase in the number of the pathways upon immobilization is not dependent on the absorbed extent but the desorbed one, indicating significant role of shifting process of experimental operations in influencing the functional region. In addition, some conserved and important hot-residues in the paths are identified, providing molecular information for functional modification.

Structures in Ionospheric Number Density and Velocity Associated with Polar Cap Ionization Patches

NASA Technical Reports Server (NTRS)

Kivanc, O.; Heelis, R. A.

1997-01-01

Spectral characteristics of polar cap F region irregularities on large density gradients associated with polar ionization patches are studied using in situ measurements made by the Dynamics Explorer 2 (DE 2) spacecraft. The 18 patches studied in this paper were identified by the algorithm introduced by Coley and Heelis, and they were encountered during midnight-noon passes of the spacecraft. Density and velocity spectra associated with these antisunward convecting patches are analyzed in detail. Observations indicate the presence of structure on most patches regardless of the distance between the patch and the cusp where they are believed to develop. Existence of structure on both leading and trailing edges is established when such edges exist. Results, which show no large dependence of Delta N/N power on the sign of the edge gradient del N, do not allow the identification of leading and trailing edges of the patch. The Delta N/N is an increasing function of gradient del N regardless of the sign of the gradient. The correlation between Delta N/N and Delta V is generally poor, but for a given intensity in Delta V, Delta N/N maximizes in regions of large gradients in N. There is evidence for the presence of unstructured patches that seem to co-exist with unstructured horizontal velocities. Slightly smaller spectral indices for trailing edges support the presence of the E X B drift instability. Although this instability is found to be operating in some cases, results suggest that stirring may be a significant contributor to kilometer-size structures in the polar cap.

Polarity of Accessible Constructs Varies as a Function of Task.

ERIC Educational Resources Information Center

Panter, Abigail T.; And Others

Cognitive-based approaches to social and personality psychology have studied the structure of trait constructs in memory. The bipolar view of traits suggests that the activation of a trait construct such as "hostile" should be associated with the simultaneous activation of its semantic opposite "kind." The unipolar view, in…

Structure and properties of CaMnO3/SrMnO3/BaMnO3 superlattices from first principles

NASA Astrophysics Data System (ADS)

Li, Shen; Oh, Seongshik; Rabe, Karin

2008-03-01

Previous theoretical and experimental studies have shown that three-component, or ``tri-color'' superlattices can exhibit intrinsic electric polarization due to inversion-symmetry breaking in the layer sequence. In ferromagnetic inversion-symmetry-breaking superlattices, controlled symmetry lowering is similarly expected to lead to interesting new and tunable properties. Here, we present results of first-principles density-functional-theory calculations for short-period CaMnO3/SrMnO3/BaMnO3 superlattices, using VASP. The ground state structure, magnetic ordering, polarization and dielectric response will be presented. The role of epitaxial strain in the individual layers and the role of layer sequence will be explored. Connections to experimental studies and prospects for future work will be discussed.

Hydrological excitation of polar motion

NASA Astrophysics Data System (ADS)

Nastula, Y.; Kolaczek, B.

2006-08-01

Hydrological excitation of the polar motion (HAM) were computed from the available recently hydrological data series (NCEP, ECMWF, CPC water storage and LaD World simulations of global continental water) and compared. Time variable seasonal spectra of these hydrological excitation functions and of the geodetic excitation function of polar motion computed from the polar motion COMB03 data were compared showing big differences in their temporal characteristics and the necessity of the further improvement of the HAM models. Seasonal oscillations of the global geophysical excitation functions (AAM + OAM + HAM) and their time variations were compared also. These hydrological excitation functions do not close the budget of the global geophysical excitation function of polar motion.

Polar Oxides without Inversion Symmetry through Vacancy and Chemical Order.

PubMed

Young, Joshua; Moon, Eun Ju; Mukherjee, Debangshu; Stone, Greg; Gopalan, Venkatraman; Alem, Nasim; May, Steven J; Rondinelli, James M

2017-02-22

One synthetic modality for materials discovery proceeds by forming mixtures of two or more compounds. In transition metal oxides (TMOs), chemical substitution often obeys Vegard's principle, and the resulting structure and properties of the derived phase follow from its components. A change in the assembly of the components into a digital nanostructure, however, can stabilize new polymorphs and properties not observed in the constituents. Here we formulate and demonstrate a crystal-chemistry design approach for realizing digital TMOs without inversion symmetry by combining two centrosymmetric compounds, utilizing periodic anion-vacancy order to generate multiple polyhedra that together with cation order produce a polar structure. We next apply this strategy to two brownmillerite-structured TMOs known to display centrosymmetric crystal structures in their bulk, Ca 2 Fe 2 O 5 and Sr 2 Fe 2 O 5 . We then realize epitaxial (SrFeO 2.5 ) 1 /(CaFeO 2.5 ) 1 thin film superlattices possessing both anion-vacancy order and Sr and Ca chemical order at the subnanometer scale, confirmed through synchrotron-based diffraction and aberration corrected electron microscopy. Through a detailed symmetry analysis and density functional theory calculations, we show that A-site cation ordering lifts inversion symmetry in the superlattice and produces a polar compound. Our results demonstrate how control of anion and cation order at the nanoscale can be utilized to produce acentric structures markedly different than their constituents and open a path toward novel structure-based property design.

Theoretical exploration of structural, electro-optical and magnetic properties of gallium-doped silicon carbide nanotubes

NASA Astrophysics Data System (ADS)

Behzad, Somayeh; Chegel, Raad; Moradian, Rostam; Shahrokhi, Masoud

2014-09-01

The effects of gallium doping on the structural, electro-optical and magnetic properties of (8,0) silicon carbide nanotube (SiCNT) are investigated by using spin-polarized density functional theory. It is found from the calculation of the formation energies that gallium substitution for silicon atom is preferred. Our results show that gallium substitution at either single carbon or silicon atom site in SiCNT could induce spontaneous magnetization. The optical studies based on dielectric function indicate that new transition peaks and a blue shift are observed after gallium doping.

MgF2 monolayer as an anti-reflecting material

NASA Astrophysics Data System (ADS)

Mahida, H. R.; Singh, Deobrat; Sonvane, Yogesh; Gupta, Sanjeev K.; Thakor, P. B.

2017-02-01

The single-layer atomic sheet of magnesium fluoride (MgF2) having 1H and 1T phase structure (hexagonal and tetragonal phase) has been calculated by density functional theory (DFT). Further, we have investigated the structural, electronic and optical properties such as frequency dependent dielectric function, absorption spectra, energy loss spectra, reflectivity, refractive index and optical conductivity of monolayer MgF2 for the direction of parallel and perpendicular electric field polarizations. Our results suggest that monolayer MgF2 provides promising applications in anti-reflection coatings, high-reflective systems and in opto-electronic materials.

Di-hadron production at Jefferson Laboratory

NASA Astrophysics Data System (ADS)

Anefalos Pereira, Sergio; CLAS Collaboration

2015-04-01

Semi-inclusive deep inelastic scattering (SIDIS) has been used extensively in recent years as an important testing ground for QCD. Studies so far have concentrated on better determination of parton distribution functions, distinguishing between the quark and antiquark contributions, and understanding the fragmentation of quarks into hadrons. Pair of hadrons (di-hadron) SIDIS provides information on the nucleon structure and hadronization dynamics that complements single-hadron SIDIS. The study of di-hadrons allow us to study higher twist distribution functions and Dihadron Fragmentation Functions (DiFF). Together with the twist-2 PDFs (f 1, g 1, h 1), the Higher Twist (HT) e and hL functions are very interesting because they offer insights into the physics of the largely unexplored quark-gluon correlations which provide direct and unique insights into the dynamics inside hadrons. The CLAS spectrometer, installed in Hall-B at Jefferson Lab, has collected data using the CEBAF 6 GeV longitudinally polarized electron beam on longitudinally polarized solid NH3 targets. Preliminary results on beam-, target- and double-spin asymmetries will be presented.

Generation of continuously rotating polarization by combining cross-polarizations and its application in surface structuring.

PubMed

Lam, Billy; Zhang, Jihua; Guo, Chunlei

2017-08-01

In this study, we develop a simple but highly effective technique that generates a continuously varying polarization within a laser beam. This is achieved by having orthogonal linear polarizations on each side of the beam. By simply focusing such a laser beam, we can attain a gradually and continuously changing polarization within the entire Rayleigh range due to diffraction. To demonstrate this polarization distribution, we apply this laser beam onto a metal surface and create a continuously rotating laser induced periodic surface structure pattern. This technique provides a very effective way to produce complex surface structures that may potentially find applications, such as polarization modulators and metasurfaces.

Detoxification of aflatoxins on prospective approach: effect on structural, mechanical, and optical properties under pressures.

PubMed

Wei, Yong-Kai; Zhao, Xiao-Miao; Li, Meng-Meng; Yu, Jing-Xin; Gurudeeban, Selvaraj; Hu, Yan-Fei; Ji, Guang-Fu; Wei, Dong-Qing

2018-06-01

Aflatoxins are sequential of derivatives of coumarin and dihydrofuran with similar chemical structures and well-known carcinogenic agent. Many studies performed to detoxify aflatoxins, but the result is not ideal. Therefore, we studied structural, infrared spectrum, mechanical, and optical properties of these compounds in the aim of perspective physics. Mulliken charge distributions and infrared spectral analysis performed to understand the structural difference between the basic types of aflatoxins. In addition, the effect of pressure, different polarized, and incident directions on their structural changes was determined. It is found that AFB 1 is most stable structure among four basic types aflatoxins (AFB 1 , AFB 2 , AFG 1 , and AFG 2 ), and IR spectra are analyzed to exhibit the difference on structures of them. The mechanical properties of AFB 1 indicate that the structure of this toxin can be easily changed by pressure. The real [Formula: see text] and imaginary [Formula: see text] parts of the dielectric function, and the absorption coefficient [Formula: see text] and energy loss spectrum [Formula: see text] were also obtained under different polarized and incident directions. Furthermore, biological experiments needed to support the toxic level of AFB 1 using optical technologies.

Theory of Covalent Adsorbate Frontier Orbital Energies on Functionalized Light-Absorbing Semiconductor Surfaces.

PubMed

Yu, Min; Doak, Peter; Tamblyn, Isaac; Neaton, Jeffrey B

2013-05-16

Functional hybrid interfaces between organic molecules and semiconductors are central to many emerging information and solar energy conversion technologies. Here we demonstrate a general, empirical parameter-free approach for computing and understanding frontier orbital energies - or redox levels - of a broad class of covalently bonded organic-semiconductor surfaces. We develop this framework in the context of specific density functional theory (DFT) and many-body perturbation theory calculations, within the GW approximation, of an exemplar interface, thiophene-functionalized silicon (111). Through detailed calculations taking into account structural and binding energetics of mixed-monolayers consisting of both covalently attached thiophene and hydrogen, chlorine, methyl, and other passivating groups, we quantify the impact of coverage, nonlocal polarization, and interface dipole effects on the alignment of the thiophene frontier orbital energies with the silicon band edges. For thiophene adsorbate frontier orbital energies, we observe significant corrections to standard DFT (∼1 eV), including large nonlocal electrostatic polarization effects (∼1.6 eV). Importantly, both results can be rationalized from knowledge of the electronic structure of the isolated thiophene molecule and silicon substrate systems. Silicon band edge energies are predicted to vary by more than 2.5 eV, while molecular orbital energies stay similar, with the different functional groups studied, suggesting the prospect of tuning energy alignment over a wide range for photoelectrochemistry and other applications.

Influence of quantum confinement and strain on orbital polarization of four-layer LaNiO 3 superlattices: A DFT+DMFT study

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

Park, Hyowon; Millis, Andrew J.; Marianetti, Chris A.

Atomically precise superlattices involving transition metal oxides provide a unique opportunity to engineer correlated electron physics using strain (modulated by choice of substate) and quantum confinement (controlled by layer thickness). We use the combination of density functional theory and dynamical mean field theory (DFT+DMFT) to study Ni E g d-orbital polarization in strained LaNiO 3/LaAlO 3 superlattices consisting of four layers of nominally metallic NiO 2 and four layers of insulating AlO 2 separated by LaO layers. The layer-resolved orbital polarization is calculated as a function of strain and analyzed in terms of structural, quantum confinement, and correlation effects. Wemore » determined that the effect of strain is from the dependence of the results on the Ni-O bondlength ratio and the octahedral rotation angles; quantum confinement is studied by comparison to bulk calculations with similar degrees of strain; correlation effects are inferred by varying interaction parameters within our DFT+DMFT calculations. The calculated dependence of orbital polarization on strain in superlattices is qualitatively consistent with recent X-ray absorption spectroscopy and resonant reflectometry data. But, interesting differences of detail are found between theory and experiment. Under tensile strain, the two inequivalent Ni ions display orbital polarization similar to that calculated for strained bulk LaNiO 3 and observed in experiment. Compressive strain produces a larger dependence of orbital polarization on Ni position and even the inner Ni layer exhibits orbital polarization different from that calculated for strained bulk LaNiO 3.« less

Photon harvesting, coloring and polarizing in photovoltaic cell integrated color filters: efficient energy routing strategies for power-saving displays.

PubMed

Wen, Long; Chen, Qin; Song, Shichao; Yu, Yan; Jin, Lin; Hu, Xin

2015-07-03

We describe the integral electro-optical strategies that combine the functionalities of photovoltaic (PV) electricity generation and color filtering as well as polarizing to realize more efficient energy routing in display technology. Unlike the conventional pigment-based filters and polarizers, which absorb substantial amounts of unwanted spectral components and dissipate them in the form of heat, we propose converting the energy of those photons into electricity by constructing PV cell-integrated color filters based on a selectively transmitting aluminum (Al) rear electrode perforated with nanoholes (NHs). Combining with a dielectric-metal-dielectric (DMD) front electrode, the devices were optimized to enable efficient cavity-enhanced photon recycling in the PV functional layers. We perform a comprehensive theoretical and numerical analysis to explore the extraordinary optical transmission (EOT) through the Al NHs and identify basic design rules for achieving structural coloring or polarizing in our PV color filters. We show that the addition of thin photoactive polymer layers on the symmetrically configured Al NH electrode narrows the bandwidth of the EOT-assisted high-pass light filtering due to the strongly damped anti-symmetric coupling of the surface modes excited on the front and rear surface of the Al NHs, which facilitates the whole visible coloring with relatively high purity for the devices. By engineering the cut-off characteristics of the plasmonic waveguide mode supported by the circular or ellipsoidal Al NHs, beyond the photon recycling capacity, PV color filters and PV polarizing color filters that allow polarization-insensitive and strong polarization-anisotropic color filtering were demonstrated. The findings presented here may shed some light on expanding the utilization of PV electricity generation across new-generation energy-saving electrical display devices.

Influence of quantum confinement and strain on orbital polarization of four-layer LaNiO 3 superlattices: A DFT+DMFT study

DOE PAGES

Park, Hyowon; Millis, Andrew J.; Marianetti, Chris A.

2016-06-07

Atomically precise superlattices involving transition metal oxides provide a unique opportunity to engineer correlated electron physics using strain (modulated by choice of substate) and quantum confinement (controlled by layer thickness). We use the combination of density functional theory and dynamical mean field theory (DFT+DMFT) to study Ni E g d-orbital polarization in strained LaNiO 3/LaAlO 3 superlattices consisting of four layers of nominally metallic NiO 2 and four layers of insulating AlO 2 separated by LaO layers. The layer-resolved orbital polarization is calculated as a function of strain and analyzed in terms of structural, quantum confinement, and correlation effects. Wemore » determined that the effect of strain is from the dependence of the results on the Ni-O bondlength ratio and the octahedral rotation angles; quantum confinement is studied by comparison to bulk calculations with similar degrees of strain; correlation effects are inferred by varying interaction parameters within our DFT+DMFT calculations. The calculated dependence of orbital polarization on strain in superlattices is qualitatively consistent with recent X-ray absorption spectroscopy and resonant reflectometry data. But, interesting differences of detail are found between theory and experiment. Under tensile strain, the two inequivalent Ni ions display orbital polarization similar to that calculated for strained bulk LaNiO 3 and observed in experiment. Compressive strain produces a larger dependence of orbital polarization on Ni position and even the inner Ni layer exhibits orbital polarization different from that calculated for strained bulk LaNiO 3.« less

Elastic scattering of spin-polarized electrons and positrons from 23Na nuclei

NASA Astrophysics Data System (ADS)

Jakubassa-Amundsen, D. H.

2018-07-01

Differential cross sections and polarization correlations for the scattering of relativistic spin-polarized leptons from unpolarized ground-state sodium nuclei are calculated within the distorted-wave Born approximation (DWBA). Various nuclear ground-state charge distributions are probed. Besides potential scattering, also electric C2 and magnetic M1 and M3 transitions are taken into account. It is shown that even for a light nucleus such as 23Na there are considerable electron-positron differences at high collision energies and large scattering angles. In particular, the symmetry of the Sherman function with respect to a global sign change, as predicted by the second-order Born approximation when replacing electrons by positrons, is broken whenever the diffraction structures come into play beyond 100 MeV.

Optical Sensing of Polarization States Changes in Meat due to the Ageing

NASA Astrophysics Data System (ADS)

Tománek, Pavel; Mikláš, Jan; Abubaker, Hamed Mohamed; Grmela, Lubomír

2010-11-01

Food materials or biological materials display large compositional variations, inhomogeneities, and anisotropic structures. The biological tissues consist of cells which dimensions are bigger than a wavelength of visible light, therefore Mie scattering of transmitted and reflected light occurs and different polarization states arise. The meat industry needs reliable meat quality information throughout the production process in order to guarantee high-quality meat products for consumers. The minor importance is still given to the food quality control and inspection during processing operations or storing conditions. The paper presents a quite simple optical method allowing measure the freshness or ageing of products. The principle is to study temporal characteristics of polarization states of forward or backward scattered laser light in the samples in function of meat ageing.

Establishment of substratum polarity in the blastocoel roof of the Xenopus embryo.

PubMed

Nagel, M; Winklbauer, R

1999-05-01

The fibronectin fibril matrix on the blastocoel roof of the Xenopus gastrula contains guidance cues that determine the direction of mesoderm cell migration. The underlying guidance-related polarity of the blastocoel roof is established in the late blastula under the influence of an instructive signal from the vegetal half of the embryo, in particular from the mesoderm. Formation of an oriented substratum depends on functional activin and FGF signaling pathways in the blastocoel roof. Besides being involved in tissue polarization, activin and FGF also affect fibronectin matrix assembly. Activin treatment of the blastocoel roof inhibits fibril formation, whereas FGF modulates the structure of the fibril network. The presence of intact fibronectin fibrils is permissive for directional mesoderm migration on the blastocoel roof extracellular matrix.

Computational findings of metastable ferroelectric phases of squaric acid

NASA Astrophysics Data System (ADS)

Ishibashi, Shoji; Horiuchi, Sachio; Kumai, Reiji

2018-05-01

Antiferroelectric-to-ferroelectric transitions in squaric acid are simulated by computationally applying a static electric field. Depending on the direction of the electric field, two different metastable ferroelectric (and piezoelectric) phases have been found. One of them corresponds to the experimentally confirmed phase, whereas the other is an optimally polarized phase. The structural details of these phases have been determined as a function of the electric field. The spontaneous polarization values of the phases are 14.5 and 20.5 μ C /cm2, respectively, and are relatively high among those of the existing organic ferroelectrics.

How Does the Ionic Liquid Organizational Landscape Change when Nonpolar Cationic Alkyl Groups Are Replaced by Polar Isoelectronic Diethers?

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

Kashyap, Hemant K.; Santos, Cherry S.; Daly, Ryan P.

2012-12-21

The X-ray scattering experiments and molecular dynamics simulations have been performed to investigate the structure of four room temperature ionic liquids (ILs) comprising the bis(trifluoromethylsulfonyl)amide (NTf 2 –) anion paired with the triethyloctylammonium (N 2228 +) and triethyloctylphosphonium (P 2228 +) cations and their isoelectronic diether analogs, the (2-ethoxyethoxy)ethyltriethylammonium (N 222(2O2O2) +) and (2-ethoxyethoxy)ethyltriethylphosphonium (P 222(2O2O2) +) cations. Agreement between simulations and experiments is good and permits a clear interpretation of the important topological differences between these systems. The first sharp diffraction peak (or prepeak) in the structure function S(q) that is present in the case of the liquids containingmore » the alkyl-substituted cations is absent in the case of the diether substituted analogs. Using different theoretical partitioning schemes for the X-ray structure function, we show that the prepeak present in the alkyl-substituted ILs arises from polarity alternations between charged groups and nonpolar alkyl tails. In the case of the diether substituted ILs, we find considerable curling of tails. Anions can be found with high probability in two different environments: close to the cationic nitrogen (phosphorus) and also close to the two ether groups. Moreover, for the two diether systems, anions are found in locations from which they are excluded in the alkyl-substituted systems. This removes the longer range (polar/nonpolar) pattern of alternation that gives rise to the prepeak in alkyl-substituted systems.« less

Ultrafast spectroscopy on DNA-cleavage by endonuclease in molecular crowding.

PubMed

Singh, Priya; Choudhury, Susobhan; Dutta, Shreyasi; Adhikari, Aniruddha; Bhattacharya, Siddhartha; Pal, Debasish; Pal, Samir Kumar

2017-10-01

The jam-packed intracellular environments differ the activity of a biological macromolecule from that in laboratory environments (in vitro) through a number of mechanisms called molecular crowding related to structure, function and dynamics of the macromolecule. Here, we have explored the structure, function and dynamics of a model enzyme protein DNase I in molecular crowing of polyethylene glycol (PEG; MW 3350). We have used steady state and picosecond resolved dynamics of a well-known intercalator ethidium bromide (EB) in a 20-mer double-stranded DNA (dsDNA) to monitor the DNA-cleavage by the enzyme in absence and presence PEG. We have also labelled the enzyme by a well-known fluorescent probe 8-anilino-1-naphthalenesulfonic acid ammonium salt (ANS) to study the molecular mechanism of the protein-DNA association through exited state relaxation of the probe in absence (dictated by polarity) and presence of EB in the DNA (dictated by Förster resonance energy transfer (FRET)). The overall and local structures of the protein in presence of PEG have been followed by circular dichroism and time resolved polarization gated spectroscopy respectively. The enhanced dynamical flexibility of protein in presence of PEG as revealed from excited state lifetime and polarization gated anisotropy of ANS has been correlated with the stronger DNA-binding for the higher nuclease activity. We have also used conventional experimental strategy of agarose gel electrophoresis to monitor DNA-cleavage and found consistent results of enhanced nuclease activities both on synthetic 20-mer oligonucleotide and long genomic DNA from calf thymus. Copyright © 2017 Elsevier B.V. All rights reserved.

Average and local atomic-scale structure in BaZrxTi(1-x)O3 (x = 0. 10, 0.20, 0.40) ceramics by high-energy x-ray diffraction and Raman spectroscopy.

PubMed

Buscaglia, Vincenzo; Tripathi, Saurabh; Petkov, Valeri; Dapiaggi, Monica; Deluca, Marco; Gajović, Andreja; Ren, Yang

2014-02-12

High-resolution x-ray diffraction (XRD), Raman spectroscopy and total scattering XRD coupled to atomic pair distribution function (PDF) analysis studies of the atomic-scale structure of archetypal BaZrxTi(1-x)O3 (x = 0.10, 0.20, 0.40) ceramics are presented over a wide temperature range (100-450 K). For x = 0.1 and 0.2 the results reveal, well above the Curie temperature, the presence of Ti-rich polar clusters which are precursors of a long-range ferroelectric order observed below TC. Polar nanoregions (PNRs) and relaxor behaviour are observed over the whole temperature range for x = 0.4. Irrespective of ceramic composition, the polar clusters are due to locally correlated off-centre displacement of Zr/Ti cations compatible with local rhombohedral symmetry. Formation of Zr-rich clusters is indicated by Raman spectroscopy for all compositions. Considering the isovalent substitution of Ti with Zr in BaZrxTi1-xO3, the mechanism of formation and growth of the PNRs is not due to charge ordering and random fields, but rather to a reduction of the local strain promoted by the large difference in ion size between Zr(4+) and Ti(4+). As a result, non-polar or weakly polar Zr-rich clusters and polar Ti-rich clusters are randomly distributed in a paraelectric lattice and the long-range ferroelectric order is disrupted with increasing Zr concentration.

Exploring Cosmic X-ray Source Polarization

NASA Technical Reports Server (NTRS)

Swank, Jean Hebb; Jahodal, K.; Kallman, T. R.; Kaaret, P.

2008-01-01

Cosmic X-ray sources are expected to be polarized, either because of their asymmetry and the role of scattering in their emission or the role of magnetic fields. Polarization at other wavelengths has been useful. X-ray polarization will provide a new handle on black hole parameters, in particular the spin, on accretion flows and outflows, on neutron star spin orientations and emission mechanisms, on the quantum mechanical effects of super-strong magnetic fields of magnetars, and on the structure of supernovae shocks. The proposed Gravity and Extreme Magnetism SMEX (GEMS) will use high efficiency polarimeters behind thin foil mirrors. The statistical sensitivity and control of systematics will allow measurement of polarization fractions as small as 1% from many galactic and extragalactic sources. Targets which should be polarized at the level that GEMS can easily measure include stellar black holes, Seyfert galaxies and quasars, blazars, rotation-powered and accretion-powered pulsars, magnetars, shell supernova remnants and pulsar wind nebulae. The polarimeters are Time Projection Chambers that allow reconstruction of images of photoelectron tracks for 2-10 keV Xrays. They can be deep without sacrificing modulation. These polarimeters do not image the sky, but the telescope point spread function and detector collimation allow structure to be resolved at the 10 arcmin level. Rotation of the spacecraft is not needed for the signal measurement in the Time Projection Chambers, but provides for measurement and correction of systematic errors. It also allows a small Bragg reflection soft X-ray experiment to be included that can be used for isolated neutron stars and blazars.

The influence of solvent on conformational properties of peptides with Aib residue-a DFT study.

PubMed

Wałęsa, Roksana; Broda, Małgorzata A

2017-11-21

The conformational propensities of the Aib residue on the example of two model peptides Ac-Aib-NHMe (1) and Ac-Aib-NMe 2 (2), were studied by B3LYP and M06-2X functionals, in the gas phase and in the polar solvents. To verify the reliability of selected functionals, we also performed MP2 calculations for the tested molecules in vacuum. Polarizable continuum models (PCM and SMD) were used to estimate the solvent effect. Ramachandran maps were calculated to find all energy minima. Noncovalent intramolecular interactions due to hydrogen-bonds and dipole attractions between carbonyl groups are responsible for the relative stabilities of the conformers. In order to verify the theoretical results, the available conformations of similar X-ray structures from the Cambridge Crystallographic Data Center (CCDC) were analyzed. The results of the calculations show that both derivatives with the Aib residue in the gas phase prefer structures stabilized by intramolecular N-H⋯O hydrogen bonds, i.e., C 5 and C 7 conformations, while polar solvent promotes helical conformation with φ, ψ values equal to +/-60°, +/-40°. In addition, in the case of molecule 2, the helical conformation is the only one available in the polar environment. This result is fully consistent with the X-ray data. Graphical abstract Effect of solvent on the Ramachandran maps of the model peptides with Aib residue.

Multiscale polar theory of microtubule and motor-protein assemblies

DOE PAGES

Gao, Tong; Blackwell, Robert; Glaser, Matthew A.; ...

2015-01-27

Microtubules and motor proteins are building blocks of self-organized subcellular biological structures such as the mitotic spindle and the centrosomal microtubule array. These same ingredients can form new “bioactive” liquid-crystalline fluids that are intrinsically out of equilibrium and which display complex flows and defect dynamics. It is not yet well understood how microscopic activity, which involves polarity-dependent interactions between motor proteins and microtubules, yields such larger-scale dynamical structures. In our multiscale theory, Brownian dynamics simulations of polar microtubule ensembles driven by cross-linking motors allow us to study microscopic organization and stresses. Polarity sorting and cross-link relaxation emerge as two polar-specificmore » sources of active destabilizing stress. On larger length scales, our continuum Doi-Onsager theory captures the hydrodynamic flows generated by polarity-dependent active stresses. Finally, the results connect local polar structure to flow structures and defect dynamics.« less

Hydrophobic potential of mean force as a solvation function for protein structure prediction.

PubMed

Lin, Matthew S; Fawzi, Nicolas Lux; Head-Gordon, Teresa

2007-06-01

We have developed a solvation function that combines a Generalized Born model for polarization of protein charge by the high dielectric solvent, with a hydrophobic potential of mean force (HPMF) as a model for hydrophobic interaction, to aid in the discrimination of native structures from other misfolded states in protein structure prediction. We find that our energy function outperforms other reported scoring functions in terms of correct native ranking for 91% of proteins and low Z scores for a variety of decoy sets, including the challenging Rosetta decoys. This work shows that the stabilizing effect of hydrophobic exposure to aqueous solvent that defines the HPMF hydration physics is an apparent improvement over solvent-accessible surface area models that penalize hydrophobic exposure. Decoys generated by thermal sampling around the native-state basin reveal a potentially important role for side-chain entropy in the future development of even more accurate free energy surfaces.

Dominant transverse-electric polarized emission from 298 nm MBE-grown AlN-delta-GaN quantum well ultraviolet light-emitting diodes

NASA Astrophysics Data System (ADS)

Liu, Cheng; Ooi, Yu Kee; Islam, S. M.; Xing, Huili Grace; Jena, Debdeep; Zhang, Jing

2017-02-01

III-nitride based ultraviolet (UV) light emitting diodes (LEDs) are of considerable interest in replacing gas lasers and mercury lamps for numerous applications. Specifically, AlGaN quantum well (QW) based LEDs have been developed extensively but the external quantum efficiencies of which remain less than 10% for wavelengths <300 nm due to high dislocation density, difficult p-type doping and most importantly, the physics and band structure from the three degeneration valence subbands. One solution to address this issue at deep UV wavelengths is by the use of the AlGaN-delta-GaN QW where the insertion of the delta-GaN layer can ensure the dominant conduction band (C) - heavyhole (HH) transition, leading to large transverse-electric (TE) optical output. Here, we proposed and investigated the physics and polarization-dependent optical characterizations of AlN-delta- GaN QW UV LED at 300 nm. The LED structure is grown by Molecular Beam Epitaxy (MBE) where the delta-GaN layer is 3-4 monolayer (QW-like) sandwiched by 2.5-nm AlN sub-QW layers. The physics analysis shows that the use of AlN-delta-GaN QW ensures a larger separation between the top HH subband and lower-energy bands, and strongly localizes the electron and HH wave functions toward the QW center and hence resulting in 30-time enhancement in TEpolarized spontaneous emission rate, compared to that of a conventional Al0.35Ga0.65N QW. The polarization-dependent electroluminescence measurements confirm our theoretical analysis; a dominant TE-polarized emission was obtained at 298 nm with a minimum transverse-magnetic (TM) polarized emission, indicating the feasibility of high-efficiency TEpolarized UV emitters based on our proposed QW structure.

Jupiter's Polar Haze

NASA Astrophysics Data System (ADS)

Carlson, B. E.

1997-07-01

The nature and distribution of stratospheric aerosols in the polar regions of Jupiter are investigated using a combination of ground-based, Hubble Space Telescope (HST), and Voyager IRIS measurements. Of particular interest are the connections between the enhanced UV absorption in the polar regions and the bright polar hoods evident in methane band images and the connections between the aerosol, the infrared "hot spot", and the auroras. Spatial maps of the hydrocarbon emissions constructed from the Voyager IRIS measurements reveal enhanced acetylene emission coincident with the region of enhanced methane emission but morphologically distinct from the region of enhanced ethane emission. This finding confirms the existence of altitude- dependent hydrocarbon chemistry. Ground-based and HST data reveal the presence of longitudinal structure in the latitudinal distribution of the aerosols (i.e., break-down in zonal symmetry) apparently associated with circulation anomalies induced by the polar hot spot. In addition, the HST data reveal a change in the aerosol properties (e.g., phase function) in the vicinity of the hot spot while ruling out changes in their height and/or optical depth distribution. The HST data also reveal differential UV absorption coincident with the aurora strengthening the connection between aerosol formation/hydrocarbon chemistry and the aurora. The spectral dependence of this absorption suggests enhancements of the higher order hydrocarbons (e.g., benzene). The mismatch in spatial resolution between infrared (Voyager IRIS/ground-based IRTF) and HST measurements coupled with the change in morphology of the hot spot as revealed by the structure of the methane/acetylene emission versus that of the ethane emission suggests the existence of more complex spatial structure and additional thermal emission anomalies associated with auroral processes unresolved by current infrared measurements

The stabilization mechanism of titanium cluster

NASA Astrophysics Data System (ADS)

Sun, Houqian; Ren, Yun; Hao, Yuhua; Wu, Zhaofeng; Xu, Ning

2015-05-01

A systematic and comparative theoretical study on the stabilization mechanism of titanium cluster has been performed by selecting the clusters Tin (n=3, 4, 5, 7, 13, 15 and 19) as representatives in the framework of density-functional theory. For small clusters Tin (n=3, 4 and 5), the binding energy gain due to spin polarization is substantially larger than that due to structural distortion. For medium clusters Ti13 and Ti15, both have about the same contribution. For Tin (n=4, 5, 13 and 15), when the undistorted high symmetric structure with spin-polarization is changed into the lowest energy structure, the energy level spelling due to distortion fails to reverse the level order of occupied and unoccupied molecular orbital (MO) of two type spin states, the spin configuration remains unchanged. In spin restricted and undistorted high symmetric structure, d orbitals participate in the hybridization in MOs, usually by way of a less distorted manner, and weak bonds are formed. In contrast, d orbitals take part in the formation of MOs in the ground state structure, usually in a distorted manner, and strong covalent metallic bonds are formed.

Extended Surface for Membrane Association in Zika Virus NS1 Structure

PubMed Central

Brown, W. Clay; Akey, David L.; Konwerski, Jamie; Tarrasch, Jeffrey T.; Skiniotis, Georgios; Kuhn, Richard J.; Smith, Janet L.

2018-01-01

The Zika virus, which is implicated in an increase in neonatal microcephaly and Guillain-Barré syndrome, has spread rapidly through tropical regions of the world. The virulence protein NS1 functions in genome replication and host immune system modulation. Here we report the crystal structure of full-length Zika virus NS1, revealing an elongated hydrophobic surface for membrane association and a polar surface that varies substantially among flaviviruses. PMID:27455458

Effect of artificial electric fields on plants grown under microgravity conditions

NASA Astrophysics Data System (ADS)

Nechitailo, G.; Gordeev, A.

2001-01-01

Ionic and structural hetorogeneity of cells, tissues, and organs of plants are associated with a spectrum of electric characteristics such as bioelectric potentials, electrical conductance, and bioelectric permeability. An important determinant for the plant function is electric properties of the cell membranes and organelles which maintain energy and substance exchange with the environment. Enzymes and other biologically active substances have a powerful charge at the molecular level. Finally, all molecules, including those of water, represent dipoles, and this determines their reactive capacity. A major determinant is the bioelectric polarity of a plant is genetically predetermined and cannot be modified. It is an intrinsic structural feature of the organism whose evolution advent was mediated by gravity. An illustrative presentation of polarity is the downward growth of the roots and upward growth of stems in the Earth's gravitation field. However, gravity is a critical, but not the sole determinant of the plant organism polarization. Potent polarizing effects are exerted by light, the electromagnetic field, moisture, and other factors. It is known that plant cultivation in an upturned position is associated with impairment of water and nutrient uptake, resulting in dyscoordination of physiological processes, growth and developmental retardation. These abnormalities were characteristic when early attempts were made to grow plants in weightlessness conditions.

Dynamic gradients of an intermediate filament-like cytoskeleton are recruited by a polarity landmark during apical growth.

PubMed

Fuchino, Katsuya; Bagchi, Sonchita; Cantlay, Stuart; Sandblad, Linda; Wu, Di; Bergman, Jessica; Kamali-Moghaddam, Masood; Flärdh, Klas; Ausmees, Nora

2013-05-21

Intermediate filament (IF)-like cytoskeleton emerges as a versatile tool for cellular organization in all kingdoms of life, underscoring the importance of mechanistically understanding its diverse manifestations. We showed previously that, in Streptomyces (a bacterium with a mycelial lifestyle similar to that of filamentous fungi, including extreme cell and growth polarity), the IF protein FilP confers rigidity to the hyphae by an unknown mechanism. Here, we provide a possible explanation for the IF-like function of FilP by demonstrating its ability to self-assemble into a cis-interconnected regular network in vitro and its localization into structures consistent with a cytoskeletal network in vivo. Furthermore, we reveal that a spatially restricted interaction between FilP and DivIVA, the main component of the Streptomyces polarisome complex, leads to formation of apical gradients of FilP in hyphae undergoing active tip extension. We propose that the coupling between the mechanism driving polar growth and the assembly of an IF cytoskeleton provides each new hypha with an additional stress-bearing structure at its tip, where the nascent cell wall is inevitably more flexible and compliant while it is being assembled and matured. Our data suggest that recruitment of cytoskeleton around a cell polarity landmark is a broadly conserved strategy in tip-growing cells.

A Comparative Study of Molecular Structure, pKa, Lipophilicity, Solubility, Absorption and Polar Surface Area of Some Antiplatelet Drugs.

PubMed

Remko, Milan; Remková, Anna; Broer, Ria

2016-03-19

Theoretical chemistry methods have been used to study the molecular properties of antiplatelet agents (ticlopidine, clopidogrel, prasugrel, elinogrel, ticagrelor and cangrelor) and several thiol-containing active metabolites. The geometries and energies of most stable conformers of these drugs have been computed at the Becke3LYP/6-311++G(d,p) level of density functional theory. Computed dissociation constants show that the active metabolites of prodrugs (ticlopidine, clopidogrel and prasugrel) and drugs elinogrel and cangrelor are completely ionized at pH 7.4. Both ticagrelor and its active metabolite are present at pH = 7.4 in neutral undissociated form. The thienopyridine prodrugs ticlopidine, clopidogrel and prasugrel are lipophilic and insoluble in water. Their lipophilicity is very high (about 2.5-3.5 logP values). The polar surface area, with regard to the structurally-heterogeneous character of these antiplatelet drugs, is from very large interval of values of 3-255 Ų. Thienopyridine prodrugs, like ticlopidine, clopidogrel and prasugrel, with the lowest polar surface area (PSA) values, exhibit the largest absorption. A high value of polar surface area (PSA) of cangrelor (255 Ų) results in substantial worsening of the absorption in comparison with thienopyridine drugs.

A Comparative Study of Molecular Structure, pKa, Lipophilicity, Solubility, Absorption and Polar Surface Area of Some Antiplatelet Drugs

PubMed Central

Remko, Milan; Remková, Anna; Broer, Ria

2016-01-01

Theoretical chemistry methods have been used to study the molecular properties of antiplatelet agents (ticlopidine, clopidogrel, prasugrel, elinogrel, ticagrelor and cangrelor) and several thiol-containing active metabolites. The geometries and energies of most stable conformers of these drugs have been computed at the Becke3LYP/6-311++G(d,p) level of density functional theory. Computed dissociation constants show that the active metabolites of prodrugs (ticlopidine, clopidogrel and prasugrel) and drugs elinogrel and cangrelor are completely ionized at pH 7.4. Both ticagrelor and its active metabolite are present at pH = 7.4 in neutral undissociated form. The thienopyridine prodrugs ticlopidine, clopidogrel and prasugrel are lipophilic and insoluble in water. Their lipophilicity is very high (about 2.5–3.5 logP values). The polar surface area, with regard to the structurally-heterogeneous character of these antiplatelet drugs, is from very large interval of values of 3–255 Å2. Thienopyridine prodrugs, like ticlopidine, clopidogrel and prasugrel, with the lowest polar surface area (PSA) values, exhibit the largest absorption. A high value of polar surface area (PSA) of cangrelor (255 Å2) results in substantial worsening of the absorption in comparison with thienopyridine drugs. PMID:27007371

Broadband integrated polarization rotator using three-layer metallic grating structures

DOE PAGES

Fan, Ren -Hao; Liu, Dong; Peng, Ru -Wen; ...

2018-01-05

In this work, we demonstrate broadband integrated polarization rotator (IPR) with a series of three-layer rotating metallic grating structures. This transmissive optical IPR can conveniently rotate the polarization of linearly polarized light to any desired directions at different spatial locations with high conversion efficiency, which is nearly constant for different rotation angles. The linear polarization rotation originates from multi-wave interference in the three-layer grating structure. As a result, we anticipate that this type of IPR will find wide applications in analytical chemistry, biology, communication technology, imaging, etc.

Broadband integrated polarization rotator using three-layer metallic grating structures

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

Fan, Ren -Hao; Liu, Dong; Peng, Ru -Wen

In this work, we demonstrate broadband integrated polarization rotator (IPR) with a series of three-layer rotating metallic grating structures. This transmissive optical IPR can conveniently rotate the polarization of linearly polarized light to any desired directions at different spatial locations with high conversion efficiency, which is nearly constant for different rotation angles. The linear polarization rotation originates from multi-wave interference in the three-layer grating structure. As a result, we anticipate that this type of IPR will find wide applications in analytical chemistry, biology, communication technology, imaging, etc.

The Kinetics of Heterogeneous Electron Transfer Reactions in Polar Solvents

DTIC Science & Technology

1994-04-20

focussed on systems for which rate constants and activation parameters are available as a function of the solvent, and as a function of temperature . The... temperature . The role of reactant structure in determining the kinetic parameters is also considered. Double layer effects both at unmodified and...that the Gibbs activation energy to form a monovalent cation from a neutral molecule via electrooxidation is different from that to form a monovalent

Rapid formin-mediated actin-filament elongation is essential for polarized plant cell growth.

PubMed

Vidali, Luis; van Gisbergen, Peter A C; Guérin, Christophe; Franco, Paula; Li, Ming; Burkart, Graham M; Augustine, Robert C; Blanchoin, Laurent; Bezanilla, Magdalena

2009-08-11

Formins are present in all eukaryotes and are essential for the creation of actin-based structures responsible for diverse cellular processes. Because multicellular organisms contain large formin gene families, establishing the physiological functions of formin isoforms has been difficult. Using RNAi, we analyzed the function of all 9 formin genes within the moss Physcomitrella patens. We show that plants lacking class II formins (For2) are severely stunted and composed of spherical cells with disrupted actin organization. In contrast, silencing of all other formins results in normal elongated cell morphology and actin organization. Consistent with a role in polarized growth, For2 are apically localized in growing cells. We show that an N-terminal phosphatase tensin (PTEN)-like domain mediates apical localization. The PTEN-like domain is followed by a conserved formin homology (FH)1-FH2 domain, known to promote actin polymerization. To determine whether apical localization of any FH1-FH2 domain mediates polarized growth, we performed domain swapping. We found that only the class II FH1-FH2, in combination with the PTEN-like domain, rescues polarized growth, because it cannot be replaced with a similar domain from a For1. We used in vitro polymerization assays to dissect the functional differences between these FH1-FH2 domains. We found that both the FH1 and the FH2 domains from For2 are required to mediate exceptionally rapid rates of actin filament elongation, much faster than any other known formin. Thus, our data demonstrate that rapid rates of actin elongation are critical for driving the formation of apical filamentous actin necessary for polarized growth.

PF2fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps.

PubMed

Bettadapura, Radhakrishna; Rasheed, Muhibur; Vollrath, Antje; Bajaj, Chandrajit

2015-10-01

There continue to be increasing occurrences of both atomistic structure models in the PDB (possibly reconstructed from X-ray diffraction or NMR data), and 3D reconstructed cryo-electron microscopy (3D EM) maps (albeit at coarser resolution) of the same or homologous molecule or molecular assembly, deposited in the EMDB. To obtain the best possible structural model of the molecule at the best achievable resolution, and without any missing gaps, one typically aligns (match and fits) the atomistic structure model with the 3D EM map. We discuss a new algorithm and generalized framework, named PF(2) fit (Polar Fast Fourier Fitting) for the best possible structural alignment of atomistic structures with 3D EM. While PF(2) fit enables only a rigid, six dimensional (6D) alignment method, it augments prior work on 6D X-ray structure and 3D EM alignment in multiple ways: Scoring. PF(2) fit includes a new scoring scheme that, in addition to rewarding overlaps between the volumes occupied by the atomistic structure and 3D EM map, rewards overlaps between the volumes complementary to them. We quantitatively demonstrate how this new complementary scoring scheme improves upon existing approaches. PF(2) fit also includes two scoring functions, the non-uniform exterior penalty and the skeleton-secondary structure score, and implements the scattering potential score as an alternative to traditional Gaussian blurring. Search. PF(2) fit utilizes a fast polar Fourier search scheme, whose main advantage is the ability to search over uniformly and adaptively sampled subsets of the space of rigid-body motions. PF(2) fit also implements a new reranking search and scoring methodology that considerably improves alignment metrics in results obtained from the initial search.

PF2 fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps

PubMed Central

Bettadapura, Radhakrishna; Rasheed, Muhibur; Vollrath, Antje; Bajaj, Chandrajit

2015-01-01

There continue to be increasing occurrences of both atomistic structure models in the PDB (possibly reconstructed from X-ray diffraction or NMR data), and 3D reconstructed cryo-electron microscopy (3D EM) maps (albeit at coarser resolution) of the same or homologous molecule or molecular assembly, deposited in the EMDB. To obtain the best possible structural model of the molecule at the best achievable resolution, and without any missing gaps, one typically aligns (match and fits) the atomistic structure model with the 3D EM map. We discuss a new algorithm and generalized framework, named PF2 fit (Polar Fast Fourier Fitting) for the best possible structural alignment of atomistic structures with 3D EM. While PF2 fit enables only a rigid, six dimensional (6D) alignment method, it augments prior work on 6D X-ray structure and 3D EM alignment in multiple ways: Scoring. PF2 fit includes a new scoring scheme that, in addition to rewarding overlaps between the volumes occupied by the atomistic structure and 3D EM map, rewards overlaps between the volumes complementary to them. We quantitatively demonstrate how this new complementary scoring scheme improves upon existing approaches. PF2 fit also includes two scoring functions, the non-uniform exterior penalty and the skeleton-secondary structure score, and implements the scattering potential score as an alternative to traditional Gaussian blurring. Search. PF2 fit utilizes a fast polar Fourier search scheme, whose main advantage is the ability to search over uniformly and adaptively sampled subsets of the space of rigid-body motions. PF2 fit also implements a new reranking search and scoring methodology that considerably improves alignment metrics in results obtained from the initial search. PMID:26469938

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.

Calcium signaling mediates five types of cell morphological changes to form neural rosettes.

PubMed

Hříbková, Hana; Grabiec, Marta; Klemová, Dobromila; Slaninová, Iva; Sun, Yuh-Man

2018-02-12

Neural rosette formation is a critical morphogenetic process during neural development, whereby neural stem cells are enclosed in rosette niches to equipoise proliferation and differentiation. How neural rosettes form and provide a regulatory micro-environment remains to be elucidated. We employed the human embryonic stem cell-based neural rosette system to investigate the structural development and function of neural rosettes. Our study shows that neural rosette formation consists of five types of morphological change: intercalation, constriction, polarization, elongation and lumen formation. Ca 2+ signaling plays a pivotal role in the five steps by regulating the actions of the cytoskeletal complexes, actin, myosin II and tubulin during intercalation, constriction and elongation. These, in turn, control the polarizing elements, ZO-1, PARD3 and β-catenin during polarization and lumen production for neural rosette formation. We further demonstrate that the dismantlement of neural rosettes, mediated by the destruction of cytoskeletal elements, promotes neurogenesis and astrogenesis prematurely, indicating that an intact rosette structure is essential for orderly neural development. © 2018. Published by The Company of Biologists Ltd.

Comparison of the hydrological excitation functions HAM of polar motion for the period 1980.0-2007.0

NASA Astrophysics Data System (ADS)

Nastula, J.; Pasnicka, M.; Kolaczek, B.

2011-10-01

In this study we compared contributions of polar motion excitation determined from hydrological models and harmonic coefficients of the Earth gravity field obtained from Gravity Recovery and Climate Experiment (GRACE). Hydrological excitation function (hydrological angular momentum - HAM) has been estimated from models of global hydrology, based on the observed distribution of surface water, snow, ice and soil moisture. All of them were compared with observed Geodetic Angular Momentum (GAM), excitations of polar motion. The spectra of these excitation functions of polar motion and residual geodetic excitation function G-A-O obtained from GAM by elimination of atmospheric and oceanic excitation functions were computed too. Phasor diagrams of the seasonal components of the polar motion excitation functions of all HAM excitation functions as well as of two GRACE solutions: CSR, CNES were determined and discussed.

Selected SNARE proteins are essential for the polarized membrane insertion of igf-1 receptor and the regulation of initial axonal outgrowth in neurons.

PubMed

Grassi, Diego; Plonka, Florentyna Bustos; Oksdath, Mariana; Guil, Alvaro Nieto; Sosa, Lucas J; Quiroga, Santiago

2015-01-01

The establishment of polarity necessitates initial axonal outgrowth and, therefore, the addition of new membrane to the axon's plasmalemma. Axolemmal expansion occurs by exocytosis of plasmalemmal precursor vesicles (PPVs) primarily at the neuronal growth cone. Little is known about the SNAREs family proteins involved in the regulation of PPV fusion with the neuronal plasmalemma at early stages of differentiation. We show here that five SNARE proteins (VAMP2, VAMP4, VAMP7, Syntaxin6 and SNAP23) were expressed by hippocampal pyramidal neurons before polarization. Expression silencing of three of these proteins (VAMP4, Syntaxin6 and SNAP23) repressed axonal outgrowth and the establishment of neuronal polarity, by inhibiting IGF-1 receptor exocytotic polarized insertion, necessary for neuronal polarization. In addition, stimulation with IGF-1 triggered the association of VAMP4, Syntaxin6 and SNAP23 to vesicular structures carrying the IGF-1 receptor and overexpression of a negative dominant form of Syntaxin6 significantly inhibited exocytosis of IGF-1 receptor containing vesicles at the neuronal growth cone. Taken together, our results indicated that VAMP4, Syntaxin6 and SNAP23 functions are essential for regulation of PPV exocytosis and the polarized insertion of IGF-1 receptor and, therefore, required for initial axonal elongation and the establishment of neuronal polarity.

Polarizing the Neuron through Sustained Co-expression of Alternatively Spliced Isoforms.

PubMed

Yap, Karen; Xiao, Yixin; Friedman, Brad A; Je, H Shawn; Makeyev, Eugene V

2016-05-10

Alternative splicing (AS) is an important source of proteome diversity in eukaryotes. However, how this affects protein repertoires at a single-cell level remains an open question. Here, we show that many 3'-terminal exons are persistently co-expressed with their alternatives in mammalian neurons. In an important example of this scenario, cell polarity gene Cdc42, a combination of polypyrimidine tract-binding, protein-dependent, and constitutive splicing mechanisms ensures a halfway switch from the general (E7) to the neuron-specific (E6) alternative 3'-terminal exon during neuronal differentiation. Perturbing the nearly equimolar E6/E7 ratio in neurons results in defects in both axonal and dendritic compartments and suggests that Cdc42E7 is involved in axonogenesis, whereas Cdc42E6 is required for normal development of dendritic spines. Thus, co-expression of a precise blend of functionally distinct splice isoforms rather than a complete switch from one isoform to another underlies proper structural and functional polarization of neurons. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Design and analysis of InN - In0.25Ga0.75N single quantum well laser for short distance communication wavelength

NASA Astrophysics Data System (ADS)

Polash, Md. Mobarak Hossain; Alam, M. Shah; Biswas, Saumya

2018-03-01

A single quantum well semiconductor laser based on wurtzite-nitride is designed and analyzed for short distance communication wavelength (at around 1300 nm). The laser structure has 12 Å well layer of InN, 15 Å barrier layer of In0.25Ga0.75N, and 54 Å separate confinement heterostructure layer of GaN. To calculate the electronic characteristics of the structure, a self-consistent method is used where Hamiltonian with effective mass approximation is solved for conduction band while six-bands Hamiltonian matrix with k · p formalism including the polarization effect, valence-band mixing effect, and strain effect is solved for valence band. The interband optical transition elements, optical gain, differential gain, radiative current density, spontaneous emission rate, and threshold characteristics have been calculated. The wave function overlap integral is found to be 45.93% for TE-polarized structure. Also, the spontaneous emission rate is found to be 6.57 × 1027 s - 1 cm - 3 eV - 1 at 1288.21 nm with the carrier density of 5 × 1019 cm - 3. Furthermore, the radiative current density and the radiative recombination rate are found to be 121.92 A cm - 2 and 6.35 × 1027 s - 1 cm - 3, respectively, while the TE-polarized optical gain of the structure is 3872.1 cm - 1 at 1301.7 nm.

Density functional theory based molecular dynamics study of hydration and electronic properties of aqueous La(3+).

PubMed

Terrier, Cyril; Vitorge, Pierre; Gaigeot, Marie-Pierre; Spezia, Riccardo; Vuilleumier, Rodolphe

2010-07-28

Structural and electronic properties of La(3+) immersed in bulk water have been assessed by means of density functional theory (DFT)-based Car-Parrinello molecular dynamics (CPMD) simulations. Correct structural properties, i.e., La(III)-water distances and La(III) coordination number, can be obtained within the framework of Car-Parrinello simulations providing that both the La pseudopotential and conditions of the dynamics (fictitious mass and time step) are carefully set up. DFT-MD explicitly treats electronic densities and is shown here to provide a theoretical justification to the necessity of including polarization when studying highly charged cations such as lanthanoids(III) with classical MD. La(3+) was found to strongly polarize the water molecules located in the first shell, giving rise to dipole moments about 0.5 D larger than those of bulk water molecules. Finally, analyzing Kohn-Sham orbitals, we found La(3+) empty 4f orbitals extremely compact and to a great extent uncoupled from the water conduction band, while the 5d empty orbitals exhibit mixing with unoccupied states of water.

Moments of the spin structure functions g1p and g1d for 0.05

NASA Astrophysics Data System (ADS)

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

2009-02-01

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

Interface-induced multiferroism by design in complex oxide superlattices

PubMed Central

Guo, Hangwen; Wang, Zhen; Dong, Shuai; Ghosh, Saurabh; Saghayezhian, Mohammad; Chen, Lina; Weng, Yakui; Herklotz, Andreas; Ward, Thomas Z.; Jin, Rongying; Pantelides, Sokrates T.; Zhu, Yimei; Zhang, Jiandi; Plummer, E. W.

2017-01-01

Interfaces between materials present unique opportunities for the discovery of intriguing quantum phenomena. Here, we explore the possibility that, in the case of superlattices, if one of the layers is made ultrathin, unexpected properties can be induced between the two bracketing interfaces. We pursue this objective by combining advanced growth and characterization techniques with theoretical calculations. Using prototype La2/3Sr1/3MnO3 (LSMO)/BaTiO3 (BTO) superlattices, we observe a structural evolution in the LSMO layers as a function of thickness. Atomic-resolution EM and spectroscopy reveal an unusual polar structure phase in ultrathin LSMO at a critical thickness caused by interfacing with the adjacent BTO layers, which is confirmed by first principles calculations. Most important is the fact that this polar phase is accompanied by reemergent ferromagnetism, making this system a potential candidate for ultrathin ferroelectrics with ferromagnetic ordering. Monte Carlo simulations illustrate the important role of spin–lattice coupling in LSMO. These results open up a conceptually intriguing recipe for developing functional ultrathin materials via interface-induced spin–lattice coupling. PMID:28607082

Interface-induced multiferroism by design in complex oxide superlattices

DOE PAGES

Guo, Hangwen; Wang, Zhen; Dong, Shuai; ...

2017-05-19

Interfaces between materials present unique opportunities for the discovery of intriguing quantum phenomena. Here, we explore the possibility that, in the case of superlattices, if one of the layers is made ultrathin, unexpected properties can be induced between the two bracketing interfaces. We pursue this objective by combining advanced growth and characterization techniques with theoretical calculations. Using prototype La 2/3Sr 1/3MnO 3 (LSMO)/BaTiO 3 (BTO) superlattices, we observe a structural evolution in the LSMO layers as a function of thickness. Atomic-resolution EM and spectroscopy reveal an unusual polar structure phase in ultrathin LSMO at a critical thickness caused by interfacingmore » with the adjacent BTO layers, which is confirmed by first principles calculations. Most important is the fact that this polar phase is accompanied by reemergent ferromagnetism, making this system a potential candidate for ultrathin ferroelectrics with ferromagnetic ordering. Monte Carlo simulations illustrate the important role of spin–lattice coupling in LSMO. These results open up a conceptually intriguing recipe for developing functional ultrathin materials via interface-induced spin–lattice coupling.« less

Helicity-dependent cross sections and double-polarization observable E in η photoproduction from quasifree protons and neutrons

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

Witthauer, L.; Dieterle, M.; Abt, S.

2017-05-01

Precise helicity-dependent cross sections and the double-polarization observable E were measured for η photoproduction from quasifree protons and neutrons bound in the deuteron. The η → 2γ and η → 3π 0 → 6γ decay modes were used to optimize the statistical quality of the data and to estimate systematic uncertainties. The measurement used the A2 detector setup at the tagged photon beam of the electron accelerator MAMI in Mainz. A longitudinally polarized deuterated butanol target was used in combination with a circularly polarized photon beam from bremsstrahlung of a longitudinally polarized electron beam. The reaction products were detected withmore » the electromagnetic calorimeters Crystal Ball and TAPS, which covered 98% of the full solid angle. The results show that the narrow structure observed earlier in the unpolarized excitation function of η photoproduction off the neutron appears only in reactions with antiparallel photon and nucleon spin (σ 1/2). It is absent for reactions with parallel spin orientation (σ 3/2) and thus very probably related to partial waves with total spin 1/2. The behavior of the angular distributions of the helicity-dependent cross sections was analyzed by fitting them with Legendre polynomials. The results are in good agreement with a model from the Bonn-Gatchina group, which uses an interference of P 11 and S 11 partial waves to explain the narrow structure.« less

GCM studies on Jovian polar dynamics

NASA Astrophysics Data System (ADS)

Tabataba-Vakili, F.; Orton, G.; Li, C.; Young, R. M.; Read, P. L.; Ingersoll, A. P.

2017-12-01

The Juno spacecraft has produced unparalleled measurements of the polar regions of Jupiter. Observations from JunoCAM and JIRAM (Jupiter Infrared Auroral Mapper) have revealed a structure of cyclonic vortices near the poles. We report simulations of the observed polar dynamics using a hierarchy of models from shallow-water to general circulation models with increasing detail. An initialized, unforced shallow-water model of the polar region results in merging cyclones, producing a Saturn-like polar vortex. Further investigations with more detailed models aim to recreate the observed polar structures on Jupiter and investigate the difference between vortical structures on Saturn and Jupiter. Identifying this difference may shed light on the formation and maintenance mechanisms of the observed vortices.

First-principles study of Ga-vacancy induced magnetism in β-Ga2O3.

PubMed

Yang, Ya; Zhang, Jihua; Hu, Shunbo; Wu, Yabei; Zhang, Jincang; Ren, Wei; Cao, Shixun

2017-11-01

First principles calculations based on density functional theory were performed to study the electronic structure and magnetic properties of β-Ga 2 O 3 in the presence of cation vacancies. We investigated two kinds of Ga vacancies at different symmetry sites and the consequent structural distortion and defect states. We found that both the six-fold coordinated octahedral site and the four-fold coordinated tetrahedral site vacancies can lead to a spin polarized ground state. Furthermore, the calculation identified a relationship between the spin polarization and the charge states of the vacancies, which might be explained by a molecular orbital model consisting of uncompensated O 2- 2p dangling bonds. The calculations for the two vacancy systems also indicated a potential long-range ferromagnetic order which is beneficial for spintronics application.

Microwave Assisted Synthesis, Physicochemical, Photophysical, Single Crystal X-ray and DFT Studies of Novel Push-Pull Chromophores.

PubMed

Khan, Salman A; Asiri, Abdullah M; Basisi, Hadi Mussa; Arshad, Muhammad Nadeem; Sharma, Kamlesh

2015-11-01

Two push-pull chromophores were synthesized by knoevenagel condensation under microwave irradiation. The structure of synthesized chromophores were established by spectroscopic (FT-IR, (1)H NMR, (13)C NMR, EI-MS) and elemental analysis. Structure of the chromophores was further conformed by X-ray crystallographic. UV-Vis and fluorescence spectroscopy measurements provided that chromophores were good absorbent and fluorescent properties. Fluorescence polarity studies demonstrated that chromophores were sensitive to the polarity of the microenvironment provided by different solvents. Physicochemical parameters, including singlet absorption, extinction coefficient, stokes shift, oscillator strength, dipole moment and flurescence quantum yield were investigated in order to explore the analytical potential of the synthesized chromophores. In addition, the total energy, frontier molecular orbitals, hardness, electron affinity, ionization energy, electrostatic potential map were also studied computationally by using density functional theoretical method.

X-ray diffraction study of A- plane non-polar InN epilayer grown by MOCVD

NASA Astrophysics Data System (ADS)

Moret, Matthieu; Briot, Olivier; Gil, Bernard

2015-03-01

Strong polarisation-induced electric fields in C-plane oriented nitrides semiconductor layers reduce the performance of devices. Eliminating the polarization fields can be achieved by growing nitrides along non polar direction. We have grown non polar A-plane oriented InN on R-plane (1‾102) nitridated sapphire substrate by MOCVD. We have studied the structural anisotropy observed in these layers by analyzing High Resolution XRay Diffraction rocking curve (RC) experiments as a function of the in-plane beam orientation. A-plane InN epilayer have a unique epitaxial relationship on R-Plane sapphire and show a strong structural anisotropy. Full width at half maximum (FWHM) of the InN(11‾20) XRD RC values are contained between 44 and 81 Arcmin. FWHM is smaller when the diffraction occurs along the [0001] and the largest FWHM values, of the (11‾20) RC, are obtained when the diffraction occurs along the [1‾100] in-plane direction. Atomic Force Microscopy imaging revealed morphologies with well organized crystallites. The grains are structured along a unique crystallographic orientation of InN, leading to larger domains in this direction. This structural anisotropy can be, in first approximation, attributed to the difference in the domain sizes observed. XRD reciprocal space mappings (RSM) were performed in asymmetrical configuration on (13‾40) and (2‾202) diffraction plane. RSM are measured with a beam orientation corresponding to a maximal and a minimal width of the (11‾20) Rocking curves, respectively. A simple theoretical model is exposed to interpret the RSM. We concluded that the dominant contribution to the anisotropy is due to the scattering coherence length anisotropy present in our samples.

Design of the algorithm of photons migration in the multilayer skin structure

NASA Astrophysics Data System (ADS)

Bulykina, Anastasiia B.; Ryzhova, Victoria A.; Korotaev, Valery V.; Samokhin, Nikita Y.

2017-06-01

Design of approaches and methods of the oncological diseases diagnostics has special significance. It allows determining any kind of tumors at early stages. The development of optical and laser technologies provided increase of a number of methods allowing making diagnostic studies of oncological diseases. A promising area of biomedical diagnostics is the development of automated nondestructive testing systems for the study of the skin polarizing properties based on backscattered radiation detection. Specification of the examined tissue polarizing properties allows studying of structural properties change influenced by various pathologies. Consequently, measurement and analysis of the polarizing properties of the scattered optical radiation for the development of methods for diagnosis and imaging of skin in vivo appear relevant. The purpose of this research is to design the algorithm of photons migration in the multilayer skin structure. In this research, the algorithm of photons migration in the multilayer skin structure was designed. It is based on the use of the Monte Carlo method. Implemented Monte Carlo method appears as a tracking the paths of photons experiencing random discrete direction changes before they are released from the analyzed area or decrease their intensity to negligible levels. Modeling algorithm consists of the medium and the source characteristics generation, a photon generating considering spatial coordinates of the polar and azimuthal angles, the photon weight reduction calculating due to specular and diffuse reflection, the photon mean free path definition, the photon motion direction angle definition as a result of random scattering with a Henyey-Greenstein phase function, the medium's absorption calculation. Biological tissue is modeled as a homogeneous scattering sheet characterized by absorption, a scattering and anisotropy coefficients.

Electron correlation by polarization of interacting densities

NASA Astrophysics Data System (ADS)

Whitten, Jerry L.

2017-02-01

Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize dynamically, thereby reducing the magnitude of the interaction. Exchange integrals of molecular orbitals are not correlated. The modified Coulomb interactions are used in single-determinant or configuration interaction calculations. The objective is to account for dynamical correlation effects without explicitly introducing higher spherical harmonic functions into the molecular orbital basis. Molecular orbital densities are decomposed into a distribution of spherical components that conserve the charge and each of the interacting components is considered as a two-electron wavefunction embedded in the system acted on by an average field Hamiltonian plus r12-1. A method of avoiding redundancy is described. Applications to atoms, negative ions, and molecules representing different types of bonding and spin states are discussed.

Through its F-BAR and RhoGAP domains, Rgd1p acts in different polarized growth processes in budding yeast

PubMed Central

Lefebvre, Fabien; Prouzet-Mauléon, Valérie; Vieillemard, Aurélie; Thoraval, Didier; Crouzet, Marc

2009-01-01

Protein domain architecture can be used to construct supramolecular structures, to carry out specific functions and to mediate signaling in prokaryotic and eukaryotic cells. The Rgd1p protein of budding yeast contains two domains with different functions in the cell: the F-BAR and RhoGAP domains. The F-BAR domain has been shown to interact with membrane phospholipids and is thought to induce or sense membrane curvature. The RhoGAP domain activates the GTP hydrolysis of two Rho GTPases, thereby regulating different cellular pathways. Specific molecular interactions with the F-BAR and RhoGAP domains, cell signaling and interplay between these domains may allow the Rgd1p protein to act in several different biological processes, all of which are required for polarized growth in yeast. PMID:19704907

Why the Heyd-Scuseria-Ernzerhof hybrid functional description of VO2 phases is not correct

NASA Astrophysics Data System (ADS)

Grau-Crespo, Ricardo; Wang, Hao; Schwingenschlögl, Udo

2012-08-01

In contrast with recent claims that the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid functional can provide a good description of the electronic and magnetic structures of VO2 phases [Eyert, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.107.016401 107, 016401 (2011)], we show here that the HSE lowest-energy solutions for both the low-temperature monoclinic (M1) phase and the high-temperature rutile (R) phase, which are obtained upon inclusion of spin polarization, are at odds with experimental observations. For the M1 phase the ground state is (but should not be) magnetic, while the ground state of the R phase, which is also spin polarized, is not (but should be) metallic. The energy difference between the low-temperature and high-temperature phases has strong discrepancies with the experimental latent heat.

Design of ultra compact polarization splitter based on complete photonic band gap

NASA Astrophysics Data System (ADS)

Sinha, R. K.; Nagpal, Yogita

2005-11-01

Certain select structures in photonic crystals (PhCs) exhibit complete photonic band gap i.e. a frequency region where the photonic band gaps for both polarizations (i.e. transverse electric and transverse magnetic modes) exist and overlap. One of the most fundamental applications of the photonic band gap structures is the design of photonic crystal waveguides, which can be made by inserting linear defects in the photonic crystal structures. By setting closely two parallel 2D PhC waveguides, a directional waveguide coupler can be designed, which can be used to design a polarization splitter. In this paper we design a polarization splitter in a photonic crystal structure composed of two dimensional honeycomb pattern of dielectric rods in air. This photonic crystal structure exhibits a complete photonic band gap that extends from λ = 1.49 μm to λ = 1.61 μm, where lambda is the wavelength in free space, providing a large bandwidth of 120 nm. A polarization splitter can be made by designing a polarization selective coupler. The coupling lengths at various wavelengths for both polarizations have been calculated using the Finite Difference Time Domain method. It has been shown that the coupling length, for TE polarization is much smaller as compared to that for the TM polarization. This principle is used to design a polarization splitter of length 32 μm at λ = 1.55 μm. Further, the spectral response of the extinction ratios for both polarizations in the two waveguides at propagation distance of 32 μm has been studied.

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.

A Novel Terminal Web-Like Structure in Cortical Lens Fibers: Architecture and Functional Assessment

PubMed Central

Al-Ghoul, Kristin J.; Lindquist, Timothy P.; Kirk, Spencer S.; Donohue, Sean T.

2010-01-01

This study describes a novel cytoskeletal array in fiber cells of the ocular lens of the rat and shows its relationship to the classical terminal web of other epithelial tissues. Naive adult Sprague-Dawley rats (n=28) were utilized. F-actin, fodrin, myosin IIA and CP49 distribution was assessed in anterior and posterior polar sections. For functional analysis, lenses were cultured with or without cytochalasin-D for 3 hours, then processed for confocal microscopy or assessed by laser scan analysis along sutures. Phalloidin labeling demonstrated a dense mesh of F-actin adjacent to posterior sutural domains to a subcapsular depth of 400 μm. Anterior polar sections revealed a comparable actin structure adjacent to anterior suture branches however, it was not developed in superficial fibers. Fodrin and myosin were localized within the web-like actin apparatus. The data was used to construct a model showing that the cytoskeletal array is located within the blunt, variable-width fiber ends that abut at sutures such that the ‘terminal web’ flanks the suture on either side. Treatment with cytochalasin-D resulted in partial disassembly of the ‘terminal web’ and perturbed cellular organization. Laser scan analysis revealed that cytochalasin-D treated lenses had significantly greater focal variability than control lenses (p=0.020). We conclude that cortical fibers of rat lenses contain a bipolar structure that is structurally and compositionally analogous to classical terminal webs. The results indicate that the lens ‘terminal web’ functions to stabilize lens fiber ends at sutures thus minimizing structural disorder, which in turn, promotes the establishment and maintenance of lens transparency. PMID:20730867

Compensation of non-ideal beam splitter polarization distortion effect in Michelson interferometer

NASA Astrophysics Data System (ADS)

Liu, Yeng-Cheng; Lo, Yu-Lung; Liao, Chia-Chi

2016-02-01

A composite optical structure consisting of two quarter-wave plates and a single half-wave plate is proposed for compensating for the polarization distortion induced by a non-ideal beam splitter in a Michelson interferometer. In the proposed approach, the optimal orientations of the optical components within the polarization compensator are determined using a genetic algorithm (GA) such that the beam splitter can be treated as a free-space medium and modeled using a unit Mueller matrix accordingly. Two implementations of the proposed polarization controller are presented. In the first case, the compensator is placed in the output arm of Michelson interferometer such that the state of polarization of the interfered output light is equal to that of the input light. However, in this configuration, the polarization effects induced by the beam splitter in the two arms of the interferometer structure cannot be separately addressed. Consequently, in the second case, compensator structures are placed in the Michelson interferometer for compensation on both the scanning and reference beams. The practical feasibility of the proposed approach is introduced by considering a Mueller polarization-sensitive (PS) optical coherence tomography (OCT) structure with three polarization controllers in the input, reference and sample arms, respectively. In general, the results presented in this study show that the proposed polarization controller provides an effective and experimentally-straightforward means of compensating for the polarization distortion effects induced by the non-ideal beam splitters in Michelson interferometers and Mueller PS-OCT structures.

Refractive index degeneration in older lenses: A potential functional correlate to structural changes that underlie cataract formation.

PubMed

Bahrami, Mehdi; Hoshino, Masato; Pierscionek, Barbara; Yagi, Naoto; Regini, Justyn; Uesugi, Kentaro

2015-11-01

A major structure/function relationship in the eye lens is that between the constituent proteins, the crystallins and the optical property of refractive index. Structural breakdown that leads to cataract has been investigated in a number of studies; the concomitant changes in the optics, namely increases in light attenuation have also been well documented. Specific changes in the refractive index gradient that cause such attenuation, however, are not well studied because previous methods of measuring refractive index require transparent samples. The X-ray Talbot interferometric method using synchrotron radiation allows for measurement of fine changes in refractive index through lenses with opacities. The findings of this study on older human lenses show disruptions to the refractive index gradient and in the refractive index contours. These disruptions are linked to location in the lens and occur in polar regions, along or close to the equatorial plane or in lamellar-like formations. The disruptions that are seen in the polar regions manifest branching formations that alter with progression through the lens with some similarity to lens sutures. This study shows how the refractive index gradient, which is needed to maintain image quality of the eye, may be disturbed and that this can occur in a number of distinct ways. These findings offer insight into functional changes to a major optical parameter in older lenses. Further studies are needed to elicit how these may be related to structural degenerations reported in the literature. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Structural, thermodynamic, and electrical properties of polar fluids and ionic solutions on a hypersphere: Theoretical aspects

NASA Astrophysics Data System (ADS)

Caillol, J. M.

1992-01-01

We generalize previous work [J. Chem. Phys. 94, 597 (1991)] on an alternative to the Ewald method for the numerical simulations of Coulomb fluids. This new method consists in using as a simulation cell the three-dimensional surface of a four-dimensional sphere, or hypersphere. Here, we consider the case of polar fluids and electrolyte solutions. We derive all the formal expressions which are needed for numerical simulations of such systems. It includes a derivation of the multipolar interactions on a hypersphere, the expansion of the pair-correlation functions on rotational invariants, the expression of the static dielectric constant of a polar liquid, the expressions of the frequency-dependent conductivity and dielectric constant of an ionic solution, and the derivation of the Stillinger-Lovett sum rules for conductive systems.

Microbial Community Structure in Lake and Wetland Sediments from a High Arctic Polar Desert Revealed by Targeted Transcriptomics

PubMed Central

Stoeva, Magdalena K.; Aris-Brosou, Stéphane; Chételat, John; Hintelmann, Holger; Pelletier, Philip; Poulain, Alexandre J.

2014-01-01

While microbial communities play a key role in the geochemical cycling of nutrients and contaminants in anaerobic freshwater sediments, their structure and activity in polar desert ecosystems are still poorly understood, both across heterogeneous freshwater environments such as lakes and wetlands, and across sediment depths. To address this question, we performed targeted environmental transcriptomics analyses and characterized microbial diversity across three depths from sediment cores collected in a lake and a wetland, located on Cornwallis Island, NU, Canada. Microbial communities were characterized based on 16S rRNA and two functional gene transcripts: mcrA, involved in archaeal methane cycling and glnA, a bacterial housekeeping gene implicated in nitrogen metabolism. We show that methane cycling and overall bacterial metabolic activity are the highest at the surface of lake sediments but deeper within wetland sediments. Bacterial communities are highly diverse and structured as a function of both environment and depth, being more diverse in the wetland and near the surface. Archaea are mostly methanogens, structured by environment and more diverse in the wetland. McrA transcript analyses show that active methane cycling in the lake and wetland corresponds to distinct communities with a higher potential for methane cycling in the wetland. Methanosarcina spp., Methanosaeta spp. and a group of uncultured Archaea are the dominant methanogens in the wetland while Methanoregula spp. predominate in the lake. PMID:24594936

Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers

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

Belo, Ezequiel A.; Pereira, Jose E. M.; Freire, Paulo T. C.

Enantiomeric amino acids have specific physiological functions in complex biological systems. Systematic studies focusing on the solid-state properties of D-amino acids are, however, still limited. To shed light on this field, structural and spectroscopic studies of D-alanine using neutron powder diffraction, polarized Raman scattering and ab initio calculations of harmonic vibrational frequencies were carried out. Clear changes in the number of vibrational modes are observed as a function of temperature, which can be directly connected to variations of the N—D bond lengths. These results reveal dissimilarities in the structural properties of D-alanine compared with L-alanine.

Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers

DOE PAGES

Belo, Ezequiel A.; Pereira, Jose E. M.; Freire, Paulo T. C.; ...

2018-01-01

Enantiomeric amino acids have specific physiological functions in complex biological systems. Systematic studies focusing on the solid-state properties of D-amino acids are, however, still limited. To shed light on this field, structural and spectroscopic studies of D-alanine using neutron powder diffraction, polarized Raman scattering and ab initio calculations of harmonic vibrational frequencies were carried out. Clear changes in the number of vibrational modes are observed as a function of temperature, which can be directly connected to variations of the N—D bond lengths. These results reveal dissimilarities in the structural properties of D-alanine compared with L-alanine.

Assembly and Function of the Actin Cytoskeleton of Yeast: Relationships between Cables and Patches

PubMed Central

Karpova, Tatiana S.; McNally, James G.; Moltz, Samuel L.; Cooper, John A.

1998-01-01

Actin in eukaryotic cells is found in different pools, with filaments being organized into a variety of supramolecular assemblies. To investigate the assembly and functional relationships between different parts of the actin cytoskeleton in one cell, we studied the morphology and dynamics of cables and patches in yeast. The fine structure of actin cables and the manner in which cables disassemble support a model in which cables are composed of a number of overlapping actin filaments. No evidence for intrinsic polarity of cables was found. To investigate to what extent different parts of the actin cytoskeleton depend on each other, we looked for relationships between cables and patches. Patches and cables were often associated, and their polarized distributions were highly correlated. Therefore, patches and cables do appear to depend on each other for assembly and function. Many cell types show rearrangements of the actin cytoskeleton, which can occur via assembly or movement of actin filaments. In our studies, dramatic changes in actin polarization did not include changes in filamentous actin. In addition, the concentration of actin patches was relatively constant as cells grew. Therefore, cells do not have bursts of activity in which new parts of the actin cytoskeleton are created. PMID:9744880

Optics. Observation of optical polarization Möbius strips.

PubMed

Bauer, Thomas; Banzer, Peter; Karimi, Ebrahim; Orlov, Sergej; Rubano, Andrea; Marrucci, Lorenzo; Santamato, Enrico; Boyd, Robert W; Leuchs, Gerd

2015-02-27

Möbius strips are three-dimensional geometrical structures, fascinating for their peculiar property of being surfaces with only one "side"—or, more technically, being "nonorientable" surfaces. Despite being easily realized artificially, the spontaneous emergence of these structures in nature is exceedingly rare. Here, we generate Möbius strips of optical polarization by tightly focusing the light beam emerging from a q-plate, a liquid crystal device that modifies the polarization of light in a space-variant manner. Using a recently developed method for the three-dimensional nanotomography of optical vector fields, we fully reconstruct the light polarization structure in the focal region, confirming the appearance of Möbius polarization structures. The preparation of such structured light modes may be important for complex light beam engineering and optical micro- and nanofabrication. Copyright © 2015, American Association for the Advancement of Science.

Atomic scale imaging of competing polar states in a Ruddlesden-Popper layered oxide.

PubMed

Stone, Greg; Ophus, Colin; Birol, Turan; Ciston, Jim; Lee, Che-Hui; Wang, Ke; Fennie, Craig J; Schlom, Darrell G; Alem, Nasim; Gopalan, Venkatraman

2016-08-31

Layered complex oxides offer an unusually rich materials platform for emergent phenomena through many built-in design knobs such as varied topologies, chemical ordering schemes and geometric tuning of the structure. A multitude of polar phases are predicted to compete in Ruddlesden-Popper (RP), An+1BnO3n+1, thin films by tuning layer dimension (n) and strain; however, direct atomic-scale evidence for such competing states is currently absent. Using aberration-corrected scanning transmission electron microscopy with sub-Ångstrom resolution in Srn+1TinO3n+1 thin films, we demonstrate the coexistence of antiferroelectric, ferroelectric and new ordered and low-symmetry phases. We also directly image the atomic rumpling of the rock salt layer, a critical feature in RP structures that is responsible for the competing phases; exceptional quantitative agreement between electron microscopy and density functional theory is demonstrated. The study shows that layered topologies can enable multifunctionality through highly competitive phases exhibiting diverse phenomena in a single structure.

Atomic scale imaging of competing polar states in a Ruddlesden–Popper layered oxide

PubMed Central

Stone, Greg; Ophus, Colin; Birol, Turan; Ciston, Jim; Lee, Che-Hui; Wang, Ke; Fennie, Craig J.; Schlom, Darrell G.; Alem, Nasim; Gopalan, Venkatraman

2016-01-01

Layered complex oxides offer an unusually rich materials platform for emergent phenomena through many built-in design knobs such as varied topologies, chemical ordering schemes and geometric tuning of the structure. A multitude of polar phases are predicted to compete in Ruddlesden–Popper (RP), An+1BnO3n+1, thin films by tuning layer dimension (n) and strain; however, direct atomic-scale evidence for such competing states is currently absent. Using aberration-corrected scanning transmission electron microscopy with sub-Ångstrom resolution in Srn+1TinO3n+1 thin films, we demonstrate the coexistence of antiferroelectric, ferroelectric and new ordered and low-symmetry phases. We also directly image the atomic rumpling of the rock salt layer, a critical feature in RP structures that is responsible for the competing phases; exceptional quantitative agreement between electron microscopy and density functional theory is demonstrated. The study shows that layered topologies can enable multifunctionality through highly competitive phases exhibiting diverse phenomena in a single structure. PMID:27578622

Chemical control of orbital polarization in artificially structured transition-metal oxides: La2NiXO6 (X=B,Al,Ga,In) from first principles

NASA Astrophysics Data System (ADS)

Han, M. J.; Marianetti, C. A.; Millis, A. J.

2010-10-01

The application of modern layer-by-layer growth techniques to transition-metal oxide materials raises the possibility of creating new classes of materials with rationally designed correlated electron properties. An important step toward this goal is the demonstration that electronic structure can be controlled by atomic composition. In compounds with partially occupied transition-metal d shells, one important aspect of the electronic structure is the relative occupancy of different d orbitals. Previous work has established that strain and quantum confinement can be used to influence orbital occupancy. In this paper we demonstrate a different modality for orbital control in transition-metal oxide heterostructures, using density-functional band calculations supplemented by a tight-binding analysis to show that the choice of nontransition-metal counterion X in transition-metal oxide heterostructures composed of alternating LaNiO3 and LaXO3 units strongly affects orbital occupancy, changing the magnitude and in some cases the sign of the orbital polarization.

Atomic scale imaging of competing polar states in a Ruddlesden-Popper layered oxide

NASA Astrophysics Data System (ADS)

Stone, Greg; Ophus, Colin; Birol, Turan; Ciston, Jim; Lee, Che-Hui; Wang, Ke; Fennie, Craig J.; Schlom, Darrell G.; Alem, Nasim; Gopalan, Venkatraman

2016-08-01

Layered complex oxides offer an unusually rich materials platform for emergent phenomena through many built-in design knobs such as varied topologies, chemical ordering schemes and geometric tuning of the structure. A multitude of polar phases are predicted to compete in Ruddlesden-Popper (RP), An+1BnO3n+1, thin films by tuning layer dimension (n) and strain; however, direct atomic-scale evidence for such competing states is currently absent. Using aberration-corrected scanning transmission electron microscopy with sub-Ångstrom resolution in Srn+1TinO3n+1 thin films, we demonstrate the coexistence of antiferroelectric, ferroelectric and new ordered and low-symmetry phases. We also directly image the atomic rumpling of the rock salt layer, a critical feature in RP structures that is responsible for the competing phases; exceptional quantitative agreement between electron microscopy and density functional theory is demonstrated. The study shows that layered topologies can enable multifunctionality through highly competitive phases exhibiting diverse phenomena in a single structure.

Insights into the structure–photoreactivity relationships in well-defined perovskite ferroelectric KNbO 3 nanowires

DOE PAGES

Zhang, Tingting; Lei, Wanying; Liu, Ping; ...

2015-04-23

Structure–function correlations are a central theme in heterogeneous (photo)catalysis. In this study, the geometric and electronic structure of perovskite ferroelectric KNbO 3 nanowires with respective orthorhombic and monoclinic polymorphs have been systematically addressed. By virtue of aberration-corrected scanning transmission electron microscopy, we directly visualize surface photocatalytic active sites, measure local atomic displacements at an accuracy of several picometers, and quantify ferroelectric polarization combined with first-principles calculations. The photoreactivity of the as-prepared KNbO 3 nanowires is assessed toward aqueous rhodamine B degradation under UV light. A synergy between the ferroelectric polarization and electronic structure in photoreactivity enhancement is uncovered, which accountsmore » for the prominent reactivity order: orthorhombic > monoclinic. Additionally, by identifying new photocatalytic products, rhodamine B degradation pathways involving N-deethylation and conjugated structure cleavage are proposed. The findings not only provide new insights into the structure–photoreactivity relationships in perovskite ferroelectric photocatalysts, but also have broad implications in perovskite-based water splitting and photovoltaics, among others.« less

The First Cell Membranes

NASA Technical Reports Server (NTRS)

Deamer, David; Dworkin, Jason P.; Sandford, Scott A.; Bernstein, Max P.; Allamandola, Louis J.

2004-01-01

Organic compounds are synthesized in the interstellar medium and can be delivered to planetary surfaces such as the early Earth, where they mix with endogenous organic mixtures. Some of these compounds are amphiphilic, having polar and non-polar groups on the same molecule. Amphiphilic compounds spontaneously self-assembly into more complex structures such as bimolecular layers, which in turn form closed membranous vesicles. The first forms of cellular life required self-assembled membranes that were likely to be available on the prebiotic Earth. Laboratory simulations show that such vesicles readily encapsulate functional macromolecules, including nucleic acids and polymerases. A goal of future investigations is to fabricate artificial cells as models of the origin of life.

Transmittance and Tunneling Current through a Trapezoidal Barrier under Spin Polarization Consideration

NASA Astrophysics Data System (ADS)

Noor, F. A.; Nabila, E.; Mardianti, H.; Ariani, T. I.; Khairurrijal

2018-04-01

The transmittance and tunneling current in heterostructures under spin polarization consideration were studied by employing a zinc-blended structure for the heterostructures. An electron tunnels through a potential barrier by applying a bias voltage to the barrier, which is called the trapezoidal potential barrier. In order to study the transmittance, an Airy wave function approach was employed to find the transmittance. The obtained transmittance was then utilized to compute the tunneling current by using a Gauss quadrature method. It was shown that the transmittances were asymmetric with the incident angle of the electron. It was also shown that the tunneling currents increased as the bias voltage increased.

Polarization control of quantum dot emission by chiral photonic crystal slabs

NASA Astrophysics Data System (ADS)

Lobanov, Sergey V.; Weiss, Thomas; Gippius, Nikolay A.; Tikhodeev, Sergei G.; Kulakovskii, Vladimir D.; Konishi, Kuniaki; Kuwata-Gonokami, Makoto

2015-04-01

We investigate theoretically the polarization properties of the quantum dot's optical emission from chiral photonic crystal structures made of achiral materials in the absence of external magnetic field at room temperature. The mirror symmetry of the local electromagnetic field is broken in this system due to the decreased symmetry of the chiral modulated layer. As a result, the radiation of randomly polarized quantum dots normal to the structure becomes partially circularly polarized. The sign and degree of circular polarization are determined by the geometry of the chiral modulated structure and depend on the radiation frequency. A degree of circular polarization up to 99% can be achieved for randomly distributed quantum dots, and can be close to 100% for some single quantum dots.

Polarization control of quantum dot emission by chiral photonic crystal slabs.

PubMed

Lobanov, Sergey V; Weiss, Thomas; Gippius, Nikolay A; Tikhodeev, Sergei G; Kulakovskii, Vladimir D; Konishi, Kuniaki; Kuwata-Gonokami, Makoto

2015-04-01

We investigate theoretically the polarization properties of the quantum dot's (QDs) optical emission from chiral photonic crystal structures made of achiral materials in the absence of external magnetic field at room temperature. The mirror symmetry of the local electromagnetic field is broken in this system due to the decreased symmetry of the chiral modulated layer. As a result, the radiation of randomly polarized QDs normal to the structure becomes partially circularly polarized. The sign and degree of circular polarization are determined by the geometry of the chiral modulated structure and depend on the radiation frequency. A degree of circular polarization up to 99% can be achieved for randomly distributed QDs, and can be close to 100% for some single QDs.

Ground-state properties of rare-earth metals: an evaluation of density-functional theory.

PubMed

Söderlind, Per; Turchi, P E A; Landa, A; Lordi, V

2014-10-15

The rare-earth metals have important technological applications due to their magnetic properties, but are scarce and expensive. Development of high-performance magnetic materials with less rare-earth content is desired, but theoretical modeling is hampered by complexities of the rare earths electronic structure. The existence of correlated (atomic-like) 4f electrons in the vicinity of the valence band makes any first-principles theory challenging. Here, we apply and evaluate the efficacy of density-functional theory for the series of lanthanides (rare earths), investigating the influence of the electron exchange and correlation functional, spin-orbit interaction, and orbital polarization. As a reference, the results are compared with those of the so-called 'standard model' of the lanthanides in which electrons are constrained to occupy 4f core states with no hybridization with the valence electrons. Some comparisons are also made with models designed for strong electron correlations. Our results suggest that spin-orbit coupling and orbital polarization are important, particularly for the magnitude of the magnetic moments, and that calculated equilibrium volumes, bulk moduli, and magnetic moments show correct trends overall. However, the precision of the calculated properties is not at the level of that found for simpler metals in the Periodic Table of Elements, and the electronic structures do not accurately reproduce x-ray photoemission spectra.

Polarization-Modulated Second Harmonic Generation Microscopy in Collagen

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

Stoller, P C

Collagen is a key structural protein in the body; several pathological conditions lead to changes in collagen. Among imaging modalities that can be used in vivo, second harmonic generation (SHG) microscopy has a key advantage: it provides {approx}1 {micro}m resolution information about collagen structure as a function of depth. A new technique--polarization-modulated SHG--is presented: it permits simultaneous measurement of collagen orientation, of a lower bound on the magnitude of the second order nonlinear susceptibility tensor, and of the ratio of the two independent elements in this tensor. It is applied to characterizing SHG in collagen and to determining effects ofmore » biologically relevant changes in collagen structure. The magnitude of the second harmonic signal in two dimensional images varies with position even in structurally homogeneous tissue; this phenomenon is due to interference between second harmonic light generated by neighboring fibrils, which are randomly oriented parallel or anti-parallel to each other. Studies in which focal spot size was varied indicated that regions where fibrils are co-oriented are less than {approx}1.5 {micro}m in diameter. A quartz reference was used to determine the spot size as well as a lower limit (d{sub xxx} > 0.3 pm/V) for the magnitude of the second order nonlinear susceptibility. The ratio of the two independent tensor elements ranged between d{sub XYY}/d{sub XXX} = 0.60 and 0.75. SHG magnitude alone was not useful for identifying structural anomalies in collagenous tissue. Instead, changes in the polarization dependence of SHG were used to analyze biologically relevant perturbations in collagen structure. Changes in polarization dependence were observed in dehydrated samples, but not in highly crosslinked samples, despite significant alterations in packing structure. Complete thermal denaturation and collagenase digestion produced samples with no detectable SHG signal. Collagen orientation was measured in thin samples of several different tissues in transmission mode as well as at different depths (up to 200 {micro}m) in thick samples in reflection mode; birefringence had no effect on the measurement. These studies showed that SHG microscopy was capable of detecting pathophysiological changes in collagen structure, suggesting that this technique has potential clinical applications.« less

Terahertz wave polarization beam splitter using a cascaded multimode interference structure.

PubMed

Li, Jiu-sheng; Liu, Han; Zhang, Le

2014-08-01

A terahertz wave polarization beam splitter, based on two cascaded multimode interference structures with different widths, is designed and numerically demonstrated. The numerical calculation results show that the designed polarization beam splitter can split transverse-electric (TE) and transverse-magnetic (TM)-polarized terahertz waves into different propagation directions with high efficiency over a frequency range from 6.40 to 6.50 THz. This polarization beam splitter shows more than a 22.06 dB extinction ratio for TE-polarization and a 31.65 dB extinction ratio for TM-polarization. Using such a polarization beam splitter, the whole length of the polarization beam splitter is reduced to about 1/12 that of a conventional design. This enables the polarization beam splitter to be used in terahertz wave integrated circuit fields.

Thermodynamics of inversion-domain boundaries in aluminum nitride: Interplay between interface energy and electric dipole potential energy

NASA Astrophysics Data System (ADS)

Zhang, J. Y.; Xie, Y. P.; Guo, H. B.; Chen, Y. G.

2018-05-01

Aluminum nitride (AlN) has a polar crystal structure that is susceptible to electric dipolar interactions. The inversion domains in AlN, similar to those in GaN and other wurtzite-structure materials, decrease the energy associated with the electric dipolar interactions at the expense of inversion-domain boundaries, whose interface energy has not been quantified. We study the atomic structures of six different inversion-domain boundaries in AlN, and compare their interface energies from density functional theory calculations. The low-energy interfaces have atomic structures with similar bonding geometry as those in the bulk phase, while the high-energy interfaces contain N-N wrong bonds. We calculate the formation energy of an inversion domain using the interface energy and dipoles' electric-field energy, and find that the distribution of the inversion domains is an important parameter for the microstructures of AlN films. Using this thermodynamic model, it is possible to control the polarity and microstructure of AlN films by tuning the distribution of an inversion-domain nucleus and by selecting the low-energy synthesis methods.

Mechanisms and behavioural functions of structural coloration in cephalopods

PubMed Central

Mäthger, Lydia M.; Denton, Eric J.; Marshall, N. Justin; Hanlon, Roger T.

2008-01-01

Octopus, squid and cuttlefish are renowned for rapid adaptive coloration that is used for a wide range of communication and camouflage. Structural coloration plays a key role in augmenting the skin patterning that is produced largely by neurally controlled pigmented chromatophore organs. While most iridescence and white scattering is produced by passive reflectance or diffusion, some iridophores in squid are actively controlled via a unique cholinergic, non-synaptic neural system. We review the recent anatomical and experimental evidence regarding the mechanisms of reflection and diffusion of light by the different cell types (iridophores and leucophores) of various cephalopod species. The structures that are responsible for the optical effects of some iridophores and leucophores have recently been shown to be proteins. Optical interactions with the overlying pigmented chromatophores are complex, and the recent measurements are presented and synthesized. Polarized light reflected from iridophores can be passed through the chromatophores, thus enabling the use of a discrete communication channel, because cephalopods are especially sensitive to polarized light. We illustrate how structural coloration contributes to the overall appearance of the cephalopods during intra- and interspecific behavioural interactions including camouflage. PMID:19091688

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.

Excitations in a spin-polarized two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Kreil, Dominik; Hobbiger, Raphael; Drachta, Jürgen T.; Böhm, Helga M.

2015-11-01

A remarkably long-lived spin plasmon may exist in two-dimensional electron liquids with imbalanced spin-up and spin-down population. The predictions for this interesting mode by Agarwal et al. [Phys. Rev. B 90, 155409 (2014), 10.1103/PhysRevB.90.155409] are based on the random phase approximation. Here, we show how to account for spin-dependent correlations from known ground-state pair correlation functions and study the consequences on the various spin-dependent longitudinal response functions. The spin-plasmon dispersion relation and its critical wave vector for Landau damping by minority spins turn out to be significantly lower. We further demonstrate that spin-dependent effective interactions imply a rich structure in the excitation spectrum of the partially spin-polarized system. Most notably, we find a "magnetic antiresonance," where the imaginary part of both, the spin-spin as well as the density-spin response function vanish. The resulting minimum in the double-differential cross section is awaiting experimental confirmation.

Hybrid local piezoelectric and conductive functions for high performance airborne sound absorption

NASA Astrophysics Data System (ADS)

Rahimabady, Mojtaba; Statharas, Eleftherios Christos; Yao, Kui; Sharifzadeh Mirshekarloo, Meysam; Chen, Shuting; Tay, Francis Eng Hock

2017-12-01

A concept of hybrid local piezoelectric and electrical conductive functions for improving airborne sound absorption is proposed and demonstrated in composite foam made of porous polar polyvinylidene fluoride (PVDF) mixed with conductive single-walled carbon nanotube (SWCNT). According to our hybrid material function design, the local piezoelectric effect in the PVDF matrix with the polar structure and the electrical resistive loss of SWCNT enhanced sound energy conversion to electrical energy and subsequently to thermal energy, respectively, in addition to the other known sound absorption mechanisms in a porous material. It is found that the overall energy conversion and hence the sound absorption performance are maximized when the concentration of the SWCNT is around the conductivity percolation threshold. For the optimal composition of PVDF/5 wt. % SWCNT, a sound reduction coefficient of larger than 0.58 has been obtained, with a high sound absorption coefficient higher than 50% at 600 Hz, showing their great values for passive noise mitigation even at a low frequency.

Microphotonic devices for compact planar lightwave circuits and sensor systems

NASA Astrophysics Data System (ADS)

Cardenas Gonzalez, Jaime

2005-07-01

Higher levels of integration in planar lightwave circuits and sensor systems can reduce fabrication costs and broaden viable applications for optical network and sensor systems. For example, increased integration and functionality can lead to sensor systems that are compact enough for easy transport, rugged enough for field applications, and sensitive enough even for laboratory applications. On the other hand, more functional and compact planar lightwave circuits can make optical networks components less expensive for the metro and access markets in urban areas and allow penetration of fiber to the home. Thus, there is an important area of opportunity for increased integration to provide low cost, compact solutions in both network components and sensor systems. In this dissertation, a novel splitting structure for microcantilever deflection detection is introduced. The splitting structure is designed so that its splitting ratio is dependent on the vertical position of the microcantilever. With this structure, microcantilevers sensitized to detect different analytes or biological agents can be integrated into an array on a single chip. Additionally, the integration of a depolarizer into the optoelectronic integrated circuit in an interferometric fiber optic gyroscope is presented as a means for cost reduction. The savings come in avoiding labor intensive fiber pigtailing steps by permitting batch fabrication of these components. In particular, this dissertation focuses on the design of the waveguides and polarization rotator, and the impact of imperfect components on the performance of the depolarizer. In the area of planar lightwave circuits, this dissertation presents the development of a fabrication process for single air interface bends (SAIBs). SAIBs can increase integration by reducing the area necessary to make a waveguide bend. Fabrication and measurement of a 45° SAIB with a bend efficiency of 93.4% for TM polarization and 92.7% for TE polarization are presented.

A precision measurement of the neutron 2. Probing the color force

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

Posik, Matthew R.

2014-01-01

The g 2 nucleon spin-dependent structure function measured in electron deep inelastic scattering contains information beyond the simple parton model description of the nucleon. It provides insight into quark-gluon correlations and a path to access the confining local color force a struck quark experiences just as it is hit by the virtual photon due to the remnant di-quark. The quantity d 2, a measure of this local color force, has its information encoded in an x 2 weighted integral of a linear combination of spin structure functions g 1 and g 2 and thus is dominated by the valence-quark regionmore » at large momentum fraction x. To date, theoretical calculations and experimental measurements of the neutron d 2 differ by about two standard deviations. Therefore, JLab experiment E06-014, performed in Hall A, made a precision measurement of this quantity at two mean four momentum transfers values of 3.21 and 4.32 GeV 2. Double spin asymmetries and absolute cross-sections were measured in both DIS and resonance regions by scattering longitudinally polarized electrons at beam energies of 4.74 and 5.89 GeV from a longitudinally and transversely polarized 3He target. Results for the absolute cross-sections and spin structure functions on 3He will be presented in the dissertation, as well as results for the neutron d 2 and extracted color forces.« less

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

NASA Astrophysics Data System (ADS)

Sıdır, İsa; Sıdır, Yadigar Gülseven

2017-11-01

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

Parallels between Global Transcriptional Programs of Polarizing Caco-2 Intestinal Epithelial Cells In Vitro and Gene Expression Programs in Normal Colon and Colon Cancer

PubMed Central

Sääf, Annika M.; Halbleib, Jennifer M.; Chen, Xin; Yuen, Siu Tsan; Leung, Suet Yi

2007-01-01

Posttranslational mechanisms are implicated in the development of epithelial cell polarity, but little is known about the patterns of gene expression and transcriptional regulation during this process. We characterized temporal patterns of gene expression during cell–cell adhesion-initiated polarization of cultured human Caco-2 cells, which develop structural and functional polarity resembling enterocytes in vivo. A distinctive switch in gene expression patterns occurred upon formation of cell–cell contacts. Comparison to gene expression patterns in normal human colon and colon tumors revealed that the pattern in proliferating, nonpolarized Caco-2 cells paralleled patterns seen in human colon cancer in vivo, including expression of genes involved in cell proliferation. The pattern switched in polarized Caco-2 cells to one more closely resembling that in normal colon tissue, indicating that regulation of transcription underlying Caco-2 cell polarization is similar to that during enterocyte differentiation in vivo. Surprisingly, the temporal program of gene expression in polarizing Caco-2 cells involved changes in signaling pathways (e.g., Wnt, Hh, BMP, FGF) in patterns similar to those during migration and differentiation of intestinal epithelial cells in vivo, despite the absence of morphogen gradients and interactions with stromal cells characteristic of enterocyte differentiation in situ. The full data set is available at http://microarray-pubs.stanford.edu/CACO2. PMID:17699589

Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3

NASA Astrophysics Data System (ADS)

Iuşan, Diana; Yamauchi, Kunihiko; Barone, Paolo; Sanyal, Biplab; Eriksson, Olle; Profeta, Gianni; Picozzi, Silvia

2013-01-01

We explore how the ferroelectric polarization of antiferromagnetic E-type orthorhombic HoMnO3 can be increased, by investigating the effects of in-plane strain on both the magnetic properties and the ferroelectric polarization, using combined density functional theory calculations and a model Hamiltonian technique. Our results show that the net polarization is strongly enhanced under compressive strain, due to an increase of the elec-tronic contribution to the polarization. In contrast, the ionic contribution is found to decrease. We identify the electron-lattice coupling, due to Jahn-Teller (JT) distortions, and its response to strain, to be responsible for the observed behavior. The JT-induced orbital ordering of occupied Mn-eg1 electrons in alternating 3x2-r23y2-r2 orbital states in the unstrained structure, changes under in-plane compressive strain to a mixture with x2-z2y2-z2 states. The asymmetric hopping of eg electrons between Mn ions along zigzag spin chains (typical of the AFM-E spin configuration) is therefore enhanced under strain, explaining the large value of the polarization. Using a degenerate double-exchange model including electron-phonon interaction, we reproduce the change in the orbital ordering pattern. In this picture, the orbital ordering change is related to a change of the Berry phase of the eg electrons. This causes an increase of the electronic contribution to the polarization.

Di-hadron production at Jefferson Lab

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

Anefalos Pereira, Sergio; et. al.,

Semi-inclusive deep inelastic scattering (SIDIS) has been used extensively in recent years as an important testing ground for QCD. Studies so far have concentrated on better determination of parton distribution functions, distinguishing between the quark and antiquark contributions, and understanding the fragmentation of quarks into hadrons. Hadron pair (di-hadron) SIDIS provides information on the nucleon structure and hadronization dynamics that complement single hadron SIDIS. Di-hadrons allow the study of low- and high-twist distribution functions and Dihadron Fragmentation Functions (DiFF). Together with the twist-2 PDFs ( f1, g1, h1), the Higher Twist (HT) e and hL functions are very interesting becausemore » they offer insights into the physics of the largely unexplored quark-gluon correlations, which provide access into the dynamics inside hadrons. The CLAS spectrometer, installed in Hall-B at Jefferson Lab, has collected data using the CEBAF 6 GeV longitudinally polarized electron beam on longitudinally polarized solid NH3 targets. Preliminary results on di-hadron beam-, target- and double-spin asymmetries will be presented.« less

All-dielectric planar chiral metasurface with gradient geometric phase.

PubMed

Ma, Zhijie; Li, Yi; Li, Yang; Gong, Yandong; Maier, Stefan A; Hong, Minghui

2018-03-05

Planar optical chirality of a metasurface measures its differential response between left and right circularly polarized (CP) lights and governs the asymmetric transmission of CP lights. In 2D ultra-thin plasmonic structures the circular dichroism is limited to 25% in theory and it requires high absorption loss. Here we propose and numerically demonstrate a planar chiral all-dielectric metasurface that exhibits giant circular dichroism and transmission asymmetry over 0.8 for circularly polarized lights with negligible loss, without bringing in bianisotropy or violating reciprocity. The metasurface consists of arrays of high refractive index germanium Z-shape resonators that break the in-plane mirror symmetry and induce cross-polarization conversion. Furthermore, at the transmission peak of one handedness, the transmitted light is efficiently converted into the opposite circular polarization state, with a designated geometric phase depending on the orientation angle of the optical element. In this way, the optical component sets before and after the metasurface to filter the light of certain circular polarization states are not needed and the metasurface can function under any linear polarization, in contrast to the conventional setup for geometry phase based metasurfaces. Anomalous transmission and two-dimensional holography based on the geometric phase chiral metasurface are numerically demonstrate as proofs of concept.

Magnetic Field Fluctuations in the High Ionosphere at Polar Latitudes: Impact of the IMF Conditions

NASA Astrophysics Data System (ADS)

De Michelis, P.; Consolini, G.; Tozzi, R.

2016-12-01

The characterization of ionospheric turbulence plays an important role for all those communication systems affected by the ionospheric medium. For instance, independently of geomagnetic latitude, ionospheric turbulence represents a considerable issue for all Global Navigation Satellite Systems (GNSS). Swarm constellation measurements of the Earth's magnetic field allow a precise characterization of ionospheric turbulence. This is possible using a range of indices derived from the analysis of the scaling properties of the geomagnetic field. In particular, by the scaling properties of the 1st order structure function, a scale index can be obtained, with a consequent characterization of the degree of persistence of the fluctuations and of their spectral properties. The knowledge of this index provides a global characterization of the nature and level of ionospheric turbulence on a local scale, which can be displayed along a single satellite orbit or through maps over the region of interest. The present work focuses on the analysis of the scaling properties of the 1st order structure function of magnetic field fluctuations measured by Swarm constellation at polar latitudes in the Northern Hemisphere. They are studied according to different interplanetary magnetic field conditions and Earth's seasons to characterize the possible drivers of magnetic field variability. The obtained results are discussed in the framework of Sun-Earth relationship and ionospheric polar convection. This work is supported by the Italian National Program for Antarctic Research (PNRA) Research Project 2013/AC3.08

P-polarized reflectance spectroscopy: A high sensitive real-time monitoring technique to study surface kinetics under steady state epitaxial deposition conditions

NASA Technical Reports Server (NTRS)

Dietz, Nikolaus; Bachmann, Klaus J.

1995-01-01

This paper describes the results of real-time optical monitoring of epitaxial growth processes by p-polarized reflectance spectroscopy (PRS) using a single wavelength application under pulsed chemical beam epitaxy (PCBE) condition. The high surface sensitivity of PRS allows the monitoring of submonolayer precursors coverage on the surface as shown for GaP homoepitaxy and GaP on Si heteroepitaxy as examples. In the case of heteroepitaxy, the growth rate and optical properties are revealed by PRS using interference oscillations as they occur during growth. Super-imposed on these interference oscillations, the PRS signal exhibits a fine structure caused by the periodic alteration of the surface chemistry by the pulsed supply of chemical precursors. This fine structure is modeled under conditions where the surface chemistry cycles between phosphorus supersaturated and phosphorus depleted surfaces. The mathematical model describes the fine structure using a surface layer that increases during the tertiarybutyl phosphine (TBP) supply and decreases during and after the triethylgallium (TEG) pulse, which increases the growing GaP film thickness. The imaginary part of the dielectric function of the surface layer is revealed from the turning points in the fine structure, where the optical response to the first precursor pulse in the cycle sequence changes sign. The amplitude of the fine structure is determined by the surface layer thickness and the complex dielectric functions for the surface layer with the underlying bulk film. Surface kinetic data can be obtained by analyzing the rise and decay transients of the fine structure.

Enhanced polarization of (11-22) semi-polar InGaN nanorod array structure

NASA Astrophysics Data System (ADS)

Athanasiou, M.; Smith, R. M.; Hou, Y.; Zhang, Y.; Gong, Y.; Wang, T.

2015-10-01

By means of a cost effective nanosphere lithography technique, an InGaN/GaN multiple quantum well structure grown on (11-22) semipolar GaN has been fabricated into two dimensional nanorod arrays which form a photonic crystal (PhC) structure. Such a PhC structure demonstrates not only significantly increased emission intensity, but also an enhanced polarization ratio of the emission. This is due to an effective inhibition of the emission in slab modes and then redistribution to the vertical direction, thus minimizing the light scattering processes that lead to randomizing of the optical polarization. The PhC structure is designed based on a standard finite-difference-time-domain simulation, and then optically confirmed by detailed time-resolved photoluminescence measurements. The results presented pave the way for the fabrication of semipolar InGaN/GaN based emitters with both high efficiency and highly polarized emission.

Anticorrelation between polar lattice instability and superconductivity in the Weyl semimetal candidate MoTe2

NASA Astrophysics Data System (ADS)

Takahashi, H.; Akiba, T.; Imura, K.; Shiino, T.; Deguchi, K.; Sato, N. K.; Sakai, H.; Bahramy, M. S.; Ishiwata, S.

2017-03-01

The relation between the polar structural instability and superconductivity in a Weyl semimetal candidate MoTe2 has been clarified by finely controlled physical and chemical pressure. The physical pressure as well as the chemical pressure, i.e., the Se substitution for Te, enhances the superconducting transition temperature Tc at around the critical pressure where the polar structure transition disappears. From the heat capacity and thermopower measurements, we ascribe the significant enhancement of Tc at the critical pressure to a subtle modification of the phonon dispersion or the semimetallic band structure upon the polar-to-nonpolar transition. On the other hand, the physical pressure, which strongly reduces the interlayer distance, is more effective on the suppression of the polar structural transition and the enhancement of Tc as compared with the chemical pressure, which emphasizes the importance of the interlayer coupling on the structural and superconducting instability in MoTe2.

Linear polarization-discriminatory state inverter fabricated by oblique angle deposition.

PubMed

Park, Yong Jun; Sobahan, K M A; Kim, Jin Joo; Hwangbo, Chang Kwon

2009-06-22

In this paper, we report a linear polarization-discriminatory state inverter made of three-layer sculpture thin film fabricated by oblique angle deposition technique. The first and third layers are quarter-wave plates of zigzag structure and the middle of them is a circular Bragg reflector of left-handed helical structure. It is found that the normal incidence of P-polarized light on this polarization-discriminatory state inverter becomes the S-polarized light at output, while the incident S-polarized light of wavelength lying in the Bragg regime is reflected. The microstructure of the linear polarization-discriminatory state inverter is also investigated by using a scanning electron microscope.

Separated structure functions for exclusive K+Λ and K+Σ0 electroproduction at 5.5 GeV measured with CLAS

NASA Astrophysics Data System (ADS)

Carman, D. S.; Park, K.; Raue, B. A.; Adhikari, K. P.; Adikaram, D.; Aghasyan, M.; Amaryan, M. J.; Anderson, M. D.; Anefalos Pereira, S.; Anghinolfi, M.; Avakian, H.; Baghdasaryan, H.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Bono, J.; Boiarinov, S.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Celentano, A.; Chandavar, S.; Charles, G.; Cole, P. L.; Contalbrigo, M.; Cortes, O.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Doughty, D.; Dupre, R.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Fersch, R.; Fleming, J. A.; Fradi, A.; Gabrielyan, M. Y.; Gevorgyan, N.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Gohn, W.; Gothe, R. W.; Griffioen, K. A.; Guegan, B.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Heddle, D.; Hicks, K.; Ho, D.; Holtrop, M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jo, H. S.; Joo, K.; Keller, D.; Khandaker, M.; Khetarpal, P.; Kim, A.; Kim, W.; Klein, A.; Klein, F. J.; Koirala, S.; Kubarovsky, A.; Kubarovsky, V.; Kuleshov, S. V.; Kvaltine, N. D.; Lewis, S.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Mao, Y.; Martinez, D.; Mayer, M.; McKinnon, B.; Mestayer, M. D.; Meyer, C. A.; Mineeva, T.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Moutarde, H.; Munevar, E.; Munoz Camacho, C.; Nadel-Turonski, P.; Nasseripour, R.; Nepali, C. S.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Pappalardo, L. L.; Paremuzyan, R.; Park, S.; Pasyuk, E.; Phelps, E.; Phillips, J. J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Prok, Y.; Protopopescu, D.; Puckett, A. J. R.; Ricco, G.; Rimal, D.; Ripani, M.; Rosner, G.; Rossi, P.; Sabatié, F.; Saini, M. S.; Salgado, C.; Saylor, N. A.; Schott, D.; Schumacher, R. A.; Seder, E.; Seraydaryan, H.; Sharabian, Y. G.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Stepanyan, S. S.; Stepanyan, S.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Taiuti, M.; Tang, W.; Taylor, C. E.; Tian, Y.; Tkachenko, S.; Trivedi, A.; Ungaro, M.; Vernarsky, B.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D.; Weinstein, L. B.; Wood, M. H.; Zachariou, N.; Zana, L.; Zhang, J.; Zhao, Z. W.; Zonta, I.

2013-02-01

We report measurements of the exclusive electroproduction of K+Λ and K+Σ0 final states from an unpolarized proton target using the CLAS detector at the Thomas Jefferson National Accelerator Facility. The separated structure functions σU, σLT, σTT, and σLT' were extracted from the Φ-dependent differential cross sections acquired with a longitudinally polarized 5.499 GeV electron beam. The data span a broad range of momentum transfers Q2 from 1.4 to 3.9 GeV2, invariant energy W from threshold to 2.6 GeV, and nearly the full center-of-mass angular range of the kaon. The separated structure functions provide an unprecedented data sample, which, in conjunction with other meson photo- and electroproduction data, will help to constrain the higher-level analyses being performed to search for missing baryon resonances.

Higher Order Analysis of Turbulent Changes Found in the ELF Range Electric Field Plasma Before Major Earthquakes

NASA Astrophysics Data System (ADS)

Kosciesza, M.; Blecki, J. S.; Parrot, M.

2014-12-01

We report the structure function analysis of changes found in electric field in the ELF range plasma turbulence registered in the ionosphere over epicenter region of major earthquakes with depth less than 40 km that took place during 6.5 years of the scientific mission of the DEMETER satellite. We compare the data for the earthquakes for which we found turbulence with events without any turbulent changes. The structure functions were calculated also for the Polar CUSP region and equatorial spread F region. Basic studies of the turbulent processes were conducted with use of higher order spectra and higher order statistics. The structure function analysis was performed to locate and check if there are intermittent behaviors in the ionospheres plasma over epicenter region of the earthquakes. These registrations are correlated with the plasma parameters measured onboard DEMETER satellite and with geomagnetic indices.

Discrete structural features among interface residue-level classes.

PubMed

Sowmya, Gopichandran; Ranganathan, Shoba

2015-01-01

Protein-protein interaction (PPI) is essential for molecular functions in biological cells. Investigation on protein interfaces of known complexes is an important step towards deciphering the driving forces of PPIs. Each PPI complex is specific, sensitive and selective to binding. Therefore, we have estimated the relative difference in percentage of polar residues between surface and the interface for each complex in a non-redundant heterodimer dataset of 278 complexes to understand the predominant forces driving binding. Our analysis showed ~60% of protein complexes with surface polarity greater than interface polarity (designated as class A). However, a considerable number of complexes (~40%) have interface polarity greater than surface polarity, (designated as class B), with a significantly different p-value of 1.66E-45 from class A. Comprehensive analyses of protein complexes show that interface features such as interface area, interface polarity abundance, solvation free energy gain upon interface formation, binding energy and the percentage of interface charged residue abundance distinguish among class A and class B complexes, while electrostatic visualization maps also help differentiate interface classes among complexes. Class A complexes are classical with abundant non-polar interactions at the interface; however class B complexes have abundant polar interactions at the interface, similar to protein surface characteristics. Five physicochemical interface features analyzed from the protein heterodimer dataset are discriminatory among the interface residue-level classes. These novel observations find application in developing residue-level models for protein-protein binding prediction, protein-protein docking studies and interface inhibitor design as drugs.

Discrete structural features among interface residue-level classes

PubMed Central

2015-01-01

Background Protein-protein interaction (PPI) is essential for molecular functions in biological cells. Investigation on protein interfaces of known complexes is an important step towards deciphering the driving forces of PPIs. Each PPI complex is specific, sensitive and selective to binding. Therefore, we have estimated the relative difference in percentage of polar residues between surface and the interface for each complex in a non-redundant heterodimer dataset of 278 complexes to understand the predominant forces driving binding. Results Our analysis showed ~60% of protein complexes with surface polarity greater than interface polarity (designated as class A). However, a considerable number of complexes (~40%) have interface polarity greater than surface polarity, (designated as class B), with a significantly different p-value of 1.66E-45 from class A. Comprehensive analyses of protein complexes show that interface features such as interface area, interface polarity abundance, solvation free energy gain upon interface formation, binding energy and the percentage of interface charged residue abundance distinguish among class A and class B complexes, while electrostatic visualization maps also help differentiate interface classes among complexes. Conclusions Class A complexes are classical with abundant non-polar interactions at the interface; however class B complexes have abundant polar interactions at the interface, similar to protein surface characteristics. Five physicochemical interface features analyzed from the protein heterodimer dataset are discriminatory among the interface residue-level classes. These novel observations find application in developing residue-level models for protein-protein binding prediction, protein-protein docking studies and interface inhibitor design as drugs. PMID:26679043

Three dimensional Lagrangian structures in the Antarctic Polar Vortex.

NASA Astrophysics Data System (ADS)

Mancho, Ana M.; Garcia-Garrido, Victor J.; Curbelo, Jezabel; Niang, Coumba; Mechoso, Carlos R.; Wiggins, Stephen

2017-04-01

Dynamical systems theory has supported the description of transport processes in fluid dynamics. For understanding trajectory patterns in chaotic advection the geometrical approach by Poincaré seeks for spatial structures that separate regions corresponding to qualitatively different types of trajectories. These structures have been referred to as Lagrangian Coherent Structures (LCS), which typically in geophysical flows are well described under the approach of incompressible 2D flows. Different tools have been used to visualize LCS. In this presentation we use Lagrangian Descriptors [1,2,3,4] (function M) for visualizing 3D Lagrangian structures in the atmosphere, in particular in the Antarctic Polar Vortex. The function M is computed in a fully 3D incompressible flow obtained from data provided by the European Centre for Medium-Range Weather Forecast and it is represented in 2D surfaces. We discuss the findings during the final warming that took place in the spring of 1979 [5]. This research is supported by MINECO grant MTM2014-56392-R. Support is acknowledged also from CSIC grant COOPB20265, U.S. NSF grant AGS-1245069 and ONR grant No. N00014- 01-1-0769. C. Niang acknowledges Fundacion Mujeres por Africa and ICMAT Severo Ochoa project SEV-2011-0087 for financial support. [1] C. Mendoza, A. M. Mancho. The hidden geometry of ocean flows. Physical Review Letters 105 (2010), 3, 038501-1-038501-4. [2] A. M. Mancho, S. Wiggins, J. Curbelo, C. Mendoza. Lagrangian Descriptors: A Method for Revealing Phase Space Structures of General Time Dependent Dynamical Systems. Communications in Nonlinear Science and Numerical Simulation. 18 (2013) 3530-3557. [3] C. Lopesino, F. Balibrea-Iniesta, S. Wiggins and A. M. Mancho. Lagrangian descriptors for two dimensional, area preserving autonomous and nonautonomous maps. Communications in Nonlinear Science and Numerical Simulations, 27 (2015) (1-3), 40-51. [4] C. Lopesino, F. Balibrea-Iniesta, V. J. García-Garrido, S. Wiggins, and A. M. Mancho, A. M. A theoretical framework for lagrangian descriptors. International Journal of Bifurcation and Chaos (2017) to appear. [5] The three-dimensional Lagrangian geometry of the Antarctic Polar Vortex circulation. Preprint.

On the Regularities of the Polar Profiles of Proteins Related to Ebola Virus Infection and their Functional Domains.

PubMed

Polanco, Carlos; Samaniego Mendoza, José Lino; Buhse, Thomas; Uversky, Vladimir N; Bañuelos Chao, Ingrid Paola; Bañuelos Cedano, Marcela Angola; Tavera, Fernando Michel; Tavera, Daniel Michel; Falconi, Manuel; Ponce de León, Abelardo Vela

2018-03-06

The number of fatalities and economic losses caused by the Ebola virus infection across the planet culminated in the havoc that occurred between August and November 2014. However, little is known about the molecular protein profile of this devastating virus. This work represents a thorough bioinformatics analysis of the regularities of charge distribution (polar profiles) in two groups of proteins and their functional domains associated with Ebola virus disease: Ebola virus proteins and Human proteins interacting with Ebola virus. Our analysis reveals that a fragment exists in each of these proteins-one named the "functional domain"-with the polar profile similar to the polar profile of the protein that contains it. Each protein is formed by a group of short sub-sequences, where each fragment has a different and distinctive polar profile and where the polar profile between adjacent short sub-sequences changes orderly and gradually to coincide with the polar profile of the whole protein. When using the charge distribution as a metric, it was observed that it effectively discriminates the proteins from their functional domains. As a counterexample, the same test was applied to a set of synthetic proteins built for that purpose, revealing that any of the regularities reported here for the Ebola virus proteins and human proteins interacting with Ebola virus were not present in the synthetic proteins. Our results indicate that the polar profile of each protein studied and its corresponding functional domain are similar. Thus, when building each protein from its functional domai-adding one amino acid at a time and plotting each time its polar profile-it was observed that the resulting graphs can be divided into groups with similar polar profiles.

DFT applied to the study of carbon-doped zinc-blende (cubic) GaN

NASA Astrophysics Data System (ADS)

Espitia R, M. J.; Ortega-López, C.; Rodríguez Martínez, J. A.

2016-08-01

Employing first principles within the framework of density functional theory, the structural properties, electronic structure, and magnetism of C-doped zincblende (cubic) GaN were investigated. The calculations were carried out using the pseudopotential method, employed exactly as implemented in Quantum ESPRESSO code. For GaC0.0625N0.9375 concentration, a metallic behavior was found. This metallic property comes from the hybridization and polarization of C-2p states and their neighboring N-2p and G-4p states.

A theoretical study of the structure and stability of borohydride on 3d transition metals

NASA Astrophysics Data System (ADS)

Arevalo, Ryan Lacdao; Escaño, Mary Clare Sison; Gyenge, Elod; Kasai, Hideaki

2012-12-01

The adsorption of borohydride on 3d transition metals (Cr, Mn, Fe, Co, Ni and Cu) was studied using first principles calculations within spin-polarized density functional theory. Magnetic effect on the stability of borohydride is noted. Molecular adsorption is favorable on Co, Ni and Cu, which is characterized by the strong s-dzz hybridization of the adsorbate-substrate states. Dissociated adsorption structure yielding one or two H adatom fragments on the surface is observed for Cr, Mn and Fe.

Coupled-cluster, Möller Plesset (MP2), Density Fitted Local MP2, and Density Functional Theory Examination of the Energetic and Structural Features of Hydrophobic Solvation: Water and Pentane

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

Ghadar, Yasaman; Clark, Aurora E.

2012-02-02

The interaction potentials between immiscible polar and non-polar solvents are a major driving force behind the formation of liquid:liquid interfaces. In this work, the interaction energy of water–pentane dimer has been determined using coupled-cluster theory with single double (triple) excitations [CCSD(T)], 2nd order Möller Plesset perturbation theory (MP2), density fitted local MP2 (DF-LMP2), as well as density functional theory using a wide variety of density functionals and several different basis sets. The M05-2X exchange correlation functionals exhibit excellent agreement with CCSD(T) and DF-LMP2 after taking into account basis set superposition error. The gas phase water–pentane interaction energy is found tomore » be quite sensitive to the specific pentane isomer (2,2- dimethylpropane vs. n-pentane) and relative orientation of the monomeric constituents. Subsequent solution phase cluster calculations of 2,2-dimethylpropane and n-pentane solvated by water indicate a positive free energy of solvation that is in good agreement with available experimental data. Structural parameters are quite sensitive to the density functional employed and reflect differences in the two-body interaction energy calculated by each method. In contrast, cluster calculations of pentane solvation of H2O solute are found to be inadequate for describing the organic solvent, likely due to limitations associated with the functionals employed (B3LYP, BHandH, and M05-2X).« less

Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis.

PubMed

Cartier-Michaud, Amandine; Bailly, Anne-Laure; Betzi, Stéphane; Shi, Xiaoli; Lissitzky, Jean-Claude; Zarubica, Ana; Sergé, Arnauld; Roche, Philippe; Lugari, Adrien; Hamon, Véronique; Bardin, Florence; Derviaux, Carine; Lembo, Frédérique; Audebert, Stéphane; Marchetto, Sylvie; Durand, Bénédicte; Borg, Jean-Paul; Shi, Ning; Morelli, Xavier; Aurrand-Lions, Michel

2017-06-01

Spermatogenesis is a dynamic process that is regulated by adhesive interactions between germ and Sertoli cells. Germ cells express the Junctional Adhesion Molecule-C (JAM-C, encoded by Jam3), which localizes to germ/Sertoli cell contacts. JAM-C is involved in germ cell polarity and acrosome formation. Using a proteomic approach, we demonstrated that JAM-C interacted with the Golgi reassembly stacking protein of 55 kDa (GRASP55, encoded by Gorasp2) in developing germ cells. Generation and study of Gorasp2-/- mice revealed that knock-out mice suffered from spermatogenesis defects. Acrosome formation and polarized localization of JAM-C in spermatids were altered in Gorasp2-/- mice. In addition, Golgi morphology of spermatocytes was disturbed in Gorasp2-/- mice. Crystal structures of GRASP55 in complex with JAM-C or JAM-B revealed that GRASP55 interacted via PDZ-mediated interactions with JAMs and induced a conformational change in GRASP55 with respect of its free conformation. An in silico pharmacophore approach identified a chemical compound called Graspin that inhibited PDZ-mediated interactions of GRASP55 with JAMs. Treatment of mice with Graspin hampered the polarized localization of JAM-C in spermatids, induced the premature release of spermatids and affected the Golgi morphology of meiotic spermatocytes.

Methodological effects in Fourier transform infrared (FTIR) spectroscopy: Implications for structural analyses of biomacromolecular samples

NASA Astrophysics Data System (ADS)

Kamnev, Alexander A.; Tugarova, Anna V.; Dyatlova, Yulia A.; Tarantilis, Petros A.; Grigoryeva, Olga P.; Fainleib, Alexander M.; De Luca, Stefania

2018-03-01

A set of experimental data obtained by Fourier transform infrared (FTIR) spectroscopy (involving the use of samples ground and pressed with KBr, i.e. in a polar halide matrix) and by matrix-free transmission FTIR or diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic methodologies (involving measurements of thin films or pure powdered samples, respectively) were compared for several different biomacromolecular substances. The samples under study included poly-3-hydroxybutyrate (PHB) isolated from cell biomass of the rhizobacterium Azospirillum brasilense; dry PHB-containing A. brasilense biomass; pectin (natural carboxylated heteropolysaccharide of plant origin; obtained from apple peel) as well as its chemically modified derivatives obtained by partial esterification of its galacturonide-chain hydroxyl moieties with palmitic, oleic and linoleic acids. Significant shifts of some FTIR vibrational bands related to polar functional groups of all the biomacromolecules under study, induced by the halide matrix used for preparing the samples for spectroscopic measurements, were shown and discussed. A polar halide matrix used for preparing samples for FTIR measurements was shown to be likely to affect band positions not only per se, by affecting band energies or via ion exchange (e.g., with carboxylate moieties), but also by inducing crystallisation of metastable amorphous biopolymers (e.g., PHB of microbial origin). The results obtained have important implications for correct structural analyses of polar, H-bonded and/or amphiphilic biomacromolecular systems using different methodologies of FTIR spectroscopy.

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

van Veelen, Arjen; Bargar, John R.; Law, Gareth T. W.

Polarization-dependent grazing incidence X-ray absorption spectroscopy (XAS) measurements were completed on oriented single crystals of magnesite [MgCO 3] and brucite [Mg(OH) 2] reacted with aqueous uranyl chloride above and below the solubility boundaries of schoepite (500, 50, and 5 ppm) at pH 8.3 and at ambient (P CO2 = 10 –3.5) or reduced partial pressures of carbon dioxide (P CO2 = 10 –4.5). X-ray absorption near edge structure (XANES) spectra show a striking polarization dependence (χ = 0° and 90° relative to the polarization plane of the incident beam) and consistently demonstrated that the uranyl molecule was preferentially oriented withmore » its O axial = U(VI) = O axial linkage at high angles (60–80°) to both magnesite (101¯4) and brucite (0001). Extended X-ray absorption fine structure (EXAFS) analysis shows that the “effective” number of U(VI) axial oxygens is the most strongly affected fitting parameter as a function of polarization. Furthermore, axial tilt in the surface thin films (thickness ~ 21 Å) is correlated with surface roughness [σ]. Our results show that hydrated uranyl(-carbonate) complexes polymerize on all of our experimental surfaces and that this process is controlled by surface hydroxylation. Lastly, these results provide new insights into the bonding configuration expected for uranyl complexes on the environmentally significant carbonate and hydroxide mineral surfaces.« less

Uranium immobilization and nanofilm formation on magnesium-rich minerals

DOE PAGES

van Veelen, Arjen; Bargar, John R.; Law, Gareth T. W.; ...

2016-03-18

Polarization-dependent grazing incidence X-ray absorption spectroscopy (XAS) measurements were completed on oriented single crystals of magnesite [MgCO 3] and brucite [Mg(OH) 2] reacted with aqueous uranyl chloride above and below the solubility boundaries of schoepite (500, 50, and 5 ppm) at pH 8.3 and at ambient (P CO2 = 10 –3.5) or reduced partial pressures of carbon dioxide (P CO2 = 10 –4.5). X-ray absorption near edge structure (XANES) spectra show a striking polarization dependence (χ = 0° and 90° relative to the polarization plane of the incident beam) and consistently demonstrated that the uranyl molecule was preferentially oriented withmore » its O axial = U(VI) = O axial linkage at high angles (60–80°) to both magnesite (101¯4) and brucite (0001). Extended X-ray absorption fine structure (EXAFS) analysis shows that the “effective” number of U(VI) axial oxygens is the most strongly affected fitting parameter as a function of polarization. Furthermore, axial tilt in the surface thin films (thickness ~ 21 Å) is correlated with surface roughness [σ]. Our results show that hydrated uranyl(-carbonate) complexes polymerize on all of our experimental surfaces and that this process is controlled by surface hydroxylation. Lastly, these results provide new insights into the bonding configuration expected for uranyl complexes on the environmentally significant carbonate and hydroxide mineral surfaces.« less

Uranium Immobilization and Nanofilm Formation on Magnesium-Rich Minerals.

PubMed

van Veelen, Arjen; Bargar, John R; Law, Gareth T W; Brown, Gordon E; Wogelius, Roy A

2016-04-05

Polarization-dependent grazing incidence X-ray absorption spectroscopy (XAS) measurements were completed on oriented single crystals of magnesite [MgCO3] and brucite [Mg(OH)2] reacted with aqueous uranyl chloride above and below the solubility boundaries of schoepite (500, 50, and 5 ppm) at pH 8.3 and at ambient (PCO2 = 10(-3.5)) or reduced partial pressures of carbon dioxide (PCO2 = 10(-4.5)). X-ray absorption near edge structure (XANES) spectra show a striking polarization dependence (χ = 0° and 90° relative to the polarization plane of the incident beam) and consistently demonstrated that the uranyl molecule was preferentially oriented with its Oaxial═U(VI)═Oaxial linkage at high angles (60-80°) to both magnesite (101̅4) and brucite (0001). Extended X-ray absorption fine structure (EXAFS) analysis shows that the "effective" number of U(VI) axial oxygens is the most strongly affected fitting parameter as a function of polarization. Furthermore, axial tilt in the surface thin films (thickness ∼ 21 Å) is correlated with surface roughness [σ]. Our results show that hydrated uranyl(-carbonate) complexes polymerize on all of our experimental surfaces and that this process is controlled by surface hydroxylation. These results provide new insights into the bonding configuration expected for uranyl complexes on the environmentally significant carbonate and hydroxide mineral surfaces.

Positrons as interface-sensitive probes of polar semiconductor heterostructures

NASA Astrophysics Data System (ADS)

Makkonen, I.; Snicker, A.; Puska, M. J.; Mäki, J.-M.; Tuomisto, F.

2010-07-01

Group-III nitrides in their wurtzite crystal structure are characterized by large spontaneous polarization and significant piezoelectric contributions in heterostructures formed of these materials. Polarization discontinuities in polar heterostructures grown along the (0001) direction result in huge built-in electric fields on the order of megavolt per centimeter. We choose the III-nitride heterostructures as archetypal representatives of polar heterostructures formed of semiconducting or insulating materials and study the behavior of positrons in these structures using first-principles electronic-structure theory supported by positron annihilation experiments for bulk systems. The strong electric fields drive positrons close to interfaces, which is clearly seen in the predicted momentum distributions of annihilating electron-positron pairs as changes relative to the constituent bulk materials. Implications of the effect to positron defect studies of polar heterostructures are addressed.

Transverse spin-dependent azimuthal correlations of charged pion pairs measured in p↑ + p collisions at √{ s } = 500 GeV

NASA Astrophysics Data System (ADS)

Adamczyk, L.; Adams, J. R.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Ajitanand, N. N.; Alekseev, I.; Anderson, D. M.; Aoyama, R.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Ashraf, M. U.; Attri, A.; Averichev, G. S.; Bairathi, V.; Barish, K.; Behera, A.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Bouchet, J.; Brandenburg, J. D.; Brandin, A. V.; Brown, D.; Bryslawskyj, J.; Bunzarov, I.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Chakaberia, I.; Chaloupka, P.; Chang, Z.; Chankova-Bunzarova, N.; Chatterjee, A.; Chattopadhyay, S.; Chen, J. H.; Chen, X.; Chen, X.; Cheng, J.; Cherney, M.; Christie, W.; Contin, G.; Crawford, H. J.; Dedovich, T. G.; Deng, J.; Deppner, I. M.; Derevschikov, A. A.; Didenko, L.; Dilks, C.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Dunlop, J. C.; Efimov, L. G.; Elsey, N.; Engelage, J.; Eppley, G.; Esha, R.; Esumi, S.; Evdokimov, O.; Ewigleben, J.; Eyser, O.; Fatemi, R.; Fazio, S.; Federic, P.; Federicova, P.; Fedorisin, J.; Feng, Z.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, C. E.; Fujita, J.; Fulek, L.; Gagliardi, C. A.; Geurts, F.; Gibson, A.; Girard, M.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, A.; Guryn, W.; Hamad, A. I.; Hamed, A.; Harlenderova, A.; Harris, J. W.; He, L.; Heppelmann, S.; Heppelmann, S.; Herrmann, N.; Hirsch, A.; Horvat, S.; Huang, X.; Huang, H. Z.; Huang, T.; Huang, B.; Humanic, T. J.; Huo, P.; Igo, G.; Jacobs, W. W.; Jentsch, A.; Jia, J.; Jiang, K.; Jowzaee, S.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kapukchyan, D.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Khan, Z.; Kikoła, D. P.; Kim, C.; Kisel, I.; Kisiel, A.; Kochenda, L.; Kocmanek, M.; Kollegger, T.; Kosarzewski, L. K.; Kraishan, A. F.; Krauth, L.; Kravtsov, P.; Krueger, K.; Kulathunga, N.; Kumar, L.; Kvapil, J.; Kwasizur, J. H.; Lacey, R.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, W.; Li, C.; Li, X.; Li, Y.; Lidrych, J.; Lin, T.; Lisa, M. A.; Liu, Y.; Liu, H.; Liu, F.; Liu, P.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Luo, S.; Ma, L.; Ma, Y. G.; Ma, G. L.; Ma, R.; Magdy, N.; Majka, R.; Mallick, D.; Margetis, S.; Markert, C.; Matis, H. S.; Mayes, D.; Meehan, K.; Mei, J. C.; Miller, Z. W.; Minaev, N. G.; Mioduszewski, S.; Mishra, D.; Mizuno, S.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nemes, D. B.; Nie, M.; Nigmatkulov, G.; Niida, T.; Nogach, L. V.; Nonaka, T.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Okorokov, V. A.; Olvitt, D.; Page, B. S.; Pak, R.; Pandit, Y.; Panebratsev, Y.; Pawlik, B.; Pei, H.; Perkins, C.; Pluta, J.; Poniatowska, K.; Porter, J.; Posik, M.; Pruthi, N. K.; Przybycien, M.; Putschke, J.; Quintero, A.; Ramachandran, S.; Ray, R. L.; Reed, R.; Rehbein, M. J.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Roth, J. D.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Salur, S.; Sandweiss, J.; Saur, M.; Schambach, J.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Schweid, B. R.; Seger, J.; Sergeeva, M.; Seto, R.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Shen, W. Q.; Shi, S. S.; Shi, Z.; Shou, Q. Y.; Sichtermann, E. P.; Sikora, R.; Simko, M.; Singha, S.; Skoby, M. J.; Smirnov, N.; Smirnov, D.; Solyst, W.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stewart, D. J.; Strikhanov, M.; Stringfellow, B.; Suaide, A. A. P.; Sugiura, T.; Sumbera, M.; Summa, B.; Sun, X.; Sun, X. M.; Sun, Y.; Surrow, B.; Svirida, D. N.; Tang, Z.; Tang, A. H.; Taranenko, A.; Tarnowsky, T.; Tawfik, A.; Thäder, J.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Todoroki, T.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Tripathy, S. K.; Trzeciak, B. A.; Tsai, O. D.; Tu, B.; Ullrich, T.; Underwood, D. G.; Upsal, I.; Van Buren, G.; van Nieuwenhuizen, G.; Vasiliev, A. N.; Videbæk, F.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wang, G.; Wang, Y.; Wang, Y.; Wang, F.; Webb, G.; Webb, J. C.; Wen, L.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y.; Xiao, Z. G.; Xie, G.; Xie, W.; Xu, N.; Xu, Y. F.; Xu, Q. H.; Xu, Z.; Yang, Y.; Yang, C.; Yang, S.; Yang, Q.; Ye, Z.; Ye, Z.; Yi, L.; Yip, K.; Yoo, I.-K.; Zbroszczyk, H.; Zha, W.; Zhang, J. B.; Zhang, J.; Zhang, S.; Zhang, J.; Zhang, S.; Zhang, Z.; Zhang, Y.; Zhang, L.; Zhang, X. P.; Zhao, J.; Zhong, C.; Zhou, C.; Zhou, L.; Zhu, X.; Zhu, Z.; Zyzak, M.

2018-05-01

The transversity distribution, which describes transversely polarized quarks in transversely polarized nucleons, is a fundamental component of the spin structure of the nucleon, and is only loosely constrained by global fits to existing semi-inclusive deep inelastic scattering (SIDIS) data. In transversely polarized p↑ + p collisions it can be accessed using transverse polarization dependent fragmentation functions which give rise to azimuthal correlations between the polarization of the struck parton and the final state scalar mesons. This letter reports on spin dependent di-hadron correlations measured by the STAR experiment. The new dataset corresponds to 25 pb-1 integrated luminosity of p↑ + p collisions at √{ s } = 500 GeV, an increase of more than a factor of ten compared to our previous measurement at √{ s } = 200 GeV. Non-zero asymmetries sensitive to transversity are observed at a Q2 of several hundred GeV and are found to be consistent with the former measurement and a model calculation. We expect that these data will enable an extraction of transversity with comparable precision to current SIDIS datasets but at much higher momentum transfers where subleading effects are suppressed.

Electronic structure of single crystalline Bi 2(Sr,Ca,La) 3Cu 2O 8

NASA Astrophysics Data System (ADS)

Lindberg, P. A. P.; Shen, Z.-X.; Dessau, D. S.; Wells, B. O.; Borg, A.; Mitzi, D. B.; Lindau, I.; Spicer, W. E.; Kapitulnik, A.

1989-12-01

Angle-resolved photoemission experiments on single crystals of Bi 2(Sr,Ca,La) 3Cu 2O 8 are reported. The data show a dispersionless behaviour of the valence band states as a function of the perpendicular component of the wave vector (along the c-axis), while as a function of the parallel component (in the a-b plane) clear dispersion occurs. Furthermore, polarization-dependent excitations reveal information on the symmetry of the unoccupied states.

Arrangement of RecA protein in its active filament determined by polarized-light spectroscopy.

PubMed

Morimatsu, Katsumi; Takahashi, Masayuki; Nordén, Bengt

2002-09-03

Linear dichroism (LD) polarized-light spectroscopy is used to determine the arrangement of RecA in its large filamentous complex with DNA, active in homologous recombination. Angular orientation data for two tryptophan and seven tyrosine residues, deduced from differential LD of wild-type RecA vs. mutants that were engineered to attenuate the UV absorption of selected residues, revealed a rotation by some 40 degrees of the RecA subunits relative to the arrangement in crystal without DNA. In addition, conformational changes are observed for tyrosine residues assigned to be involved in DNA binding and in RecA-RecA contacts, thus potentially related to the global structure of the filament and its biological function. The presented spectroscopic approach, called "Site-Specific Linear Dichroism" (SSLD), may find forceful applications also to other biologically important fibrous complexes not amenable to x-ray crystallographic or NMR structural analysis.

Langmuir-Blodgett Thin Films of Diketopyrrolopyrrole-Based Amphiphiles.

PubMed

Lo, Chi Kin; Wang, Cheng-Yin; Oosterhout, Stefan D; Zheng, Zilong; Yi, Xueping; Fuentes-Hernandez, Canek; So, Franky; Coropceanu, Veaceslav; Brédas, Jean-Luc; Toney, Michael F; Kippelen, Bernard; Reynolds, John R

2018-04-11

We report on two π-conjugated donor-acceptor-donor (D-A-D) molecules of amphiphilic nature, aiming to promote intermolecular ordering and carrier mobility in organic electronic devices. Diketopyrrolopyrrole was selected as the acceptor moiety that was disubstituted with nonpolar and polar functional groups, thereby providing the amphiphilic structures. This structural design resulted in materials with a strong intermolecular order in the solid state, which was confirmed by differential scanning calorimetry and polarized optical microscopy. Langmuir-Blodgett (LB) films of ordered mono- and multilayers were transferred onto glass and silicon substrates, with layer quality, coverage, and intermolecular order controlled by layer compression pressure on the LB trough. Organic field-effect transistors and organic photovoltaics devices with active layers consisting of the amphiphilic conjugated D-A-D-type molecules were constructed to demonstrate that the LB technique is an effective layer-by-layer deposition approach to fabricate self-assembled, ordered thin films.

Slits, plates, and Poisson-Boltzmann theory in a local formulation of nonlocal electrostatics

NASA Astrophysics Data System (ADS)

Paillusson, Fabien; Blossey, Ralf

2010-11-01

Polar liquids like water carry a characteristic nanometric length scale, the correlation length of orientation polarizations. Continuum theories that can capture this feature commonly run under the name of “nonlocal” electrostatics since their dielectric response is characterized by a scale-dependent dielectric function ɛ(q) , where q is the wave vector; the Poisson(-Boltzmann) equation then turns into an integro-differential equation. Recently, “local” formulations have been put forward for these theories and applied to water, solvated ions, and proteins. We review the local formalism and show how it can be applied to a structured liquid in slit and plate geometries, and solve the Poisson-Boltzmann theory for a charged plate in a structured solvent with counterions. Our results establish a coherent picture of the local version of nonlocal electrostatics and show its ease of use when compared to the original formulation.

Langmuir–Blodgett Thin Films of Diketopyrrolopyrrole-Based Amphiphiles

DOE PAGES

Lo, Chi Kin; Wang, Cheng -Yin; Oosterhout, Stefan D.; ...

2018-03-30

Here, we report on two π-conjugated donor–acceptor–donor (D–A–D) molecules of amphiphilic nature, aiming to promote intermolecular ordering and carrier mobility in organic electronic devices. Diketopyrrolopyrrole was selected as the acceptor moiety that was disubstituted with nonpolar and polar functional groups, thereby providing the amphiphilic structures. This structural design resulted in materials with a strong intermolecular order in the solid state, which was confirmed by differential scanning calorimetry and polarized optical microscopy. Langmuir–Blodgett (LB) films of ordered mono- and multilayers were transferred onto glass and silicon substrates, with layer quality, coverage, and intermolecular order controlled by layer compression pressure on themore » LB trough. Organic field-effect transistors and organic photovoltaics devices with active layers consisting of the amphiphilic conjugated D–A–D-type molecules were constructed to demonstrate that the LB technique is an effective layer-by-layer deposition approach to fabricate self-assembled, ordered thin films.« less

Synergistic Enhancement of Microwave Absorption Using Hybridized Polyaniline@helical CNTs with Dual Chirality.

PubMed

Tian, Xin; Meng, Fanbin; Meng, Fanchen; Chen, Xiangnan; Guo, Yifan; Wang, Ying; Zhu, Wenjun; Zhou, Zuowan

2017-05-10

In this study, we designed a dual-chirality hierarchical structure to achieve a synergistically enhanced effect in microwave absorption via the hybridization of nanomaterials. Herein, polyaniline (PANi) nanorods with tunable chirality are grown on helical carbon nanotubes (HCNTs), a typical nanoscale chiral structure, through in situ polymerization. The experimental results show that the hierarchical hybrids (PANi@HCNTs) exhibit distinctly dual chirality and a significant enhancement in electromagnetic (EM) losses compared to those of either pure PANi or HCNTs. The maximum reflection loss of the as-prepared hybrids can reach -32.5 dB at 8.9 GHz. Further analysis demonstrates that combinations of chiral acid-doped PANi and coiled HCNTs with molecular and nanoscale chirality lead to synergistic effects resulting from the dual chirality. The so-called cross-polarization may result in additional interactions with induced EM waves in addition to multiscaled relaxations from functional groups and interfacial polarizations, which can benefit EM absorption.

Computational model of polarized actin cables and cytokinetic actin ring formation in budding yeast

PubMed Central

Tang, Haosu; Bidone, Tamara C.

2015-01-01

The budding yeast actin cables and contractile ring are important for polarized growth and division, revealing basic aspects of cytoskeletal function. To study these formin-nucleated structures, we built a 3D computational model with actin filaments represented as beads connected by springs. Polymerization by formins at the bud tip and bud neck, crosslinking, severing, and myosin pulling, are included. Parameter values were estimated from prior experiments. The model generates actin cable structures and dynamics similar to those of wild type and formin deletion mutant cells. Simulations with increased polymerization rate result in long, wavy cables. Simulated pulling by type V myosin stretches actin cables. Increasing the affinity of actin filaments for the bud neck together with reduced myosin V pulling promotes the formation of a bundle of antiparallel filaments at the bud neck, which we suggest as a model for the assembly of actin filaments to the contractile ring. PMID:26538307

Sucralose Destabilization of Protein Structure.

PubMed

Chen, Lee; Shukla, Nimesh; Cho, Inha; Cohn, Erin; Taylor, Erika A; Othon, Christina M

2015-04-16

Sucralose is a commonly employed artificial sweetener that behaves very differently than its natural disaccharide counterpart, sucrose, in terms of its interaction with biomolecules. The presence of sucralose in solution is found to destabilize the native structure of two model protein systems: the globular protein bovine serum albumin and an enzyme staphylococcal nuclease. The melting temperature of these proteins decreases as a linear function of sucralose concentration. We correlate this destabilization to the increased polarity of the molecule. The strongly polar nature is manifested as a large dielectric friction exerted on the excited-state rotational diffusion of tryptophan using time-resolved fluorescence anisotropy. Tryptophan exhibits rotational diffusion proportional to the measured bulk viscosity for sucrose solutions over a wide range of concentrations, consistent with a Stokes-Einstein model. For sucralose solutions, however, the diffusion is dependent on the concentration, strongly diverging from the viscosity predictions, and results in heterogeneous rotational diffusion.

Femtosecond laser induced tunable surface transformations on (111) Si aided by square grids diffraction

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

Han, Weina; Jiang, Lan; Li, Xiaowei, E-mail: lixiaowei@bit.edu.cn

We report an extra freedom to modulate the femtosecond laser energy distribution to control the surface ablated structures through a copper-grid mask. Due to the reduced deposited pulse energy by changing the scanning speed or the pulse fluence, a sequential evolution of three distinctly different surface patterns with periodic distributions is formed, namely, striped ripple lines, ripple microdots, and surface modification. By changing the scanning speed, the number of the multiple dots in a lattice can be modulated. Moreover, by exploring the ablation process through the copper grid mask, it shows an abnormal enhanced ablation effect with strong dependence ofmore » the diffraction-aided fs laser ablated surface structures on polarization direction. The sensitivity shows a quasi-cosinusoid-function with a periodicity of π/2. Particularly, the connection process of striped ripple lines manifests a preferential formation direction with the laser polarization.« less

Structural and Functional Biomedical Imaging Using Polarization-Based Optical Coherence Tomography

NASA Astrophysics Data System (ADS)

Black, Adam J.

Biomedical imaging has had an enormous impact in medicine and research. There are numerous imaging modalities covering a large range of spatial and temporal scales, penetration depths, along with indicators for function and disease. As these imaging technologies mature, the quality of the images they produce increases to resolve finer details with greater contrast at higher speeds which aids in a faster, more accurate diagnosis in the clinic. In this dissertation, polarization-based optical coherence tomography (OCT) systems are used and developed to image biological structure and function with greater speeds, signal-to-noise (SNR) and stability. OCT can image with spatial and temporal resolutions in the micro range. When imaging any sample, feedback is very important to verify the fidelity and desired location on the sample being imaged. To increase frame rates for display as well as data throughput, field-programmable gate arrays (FPGAs) were used with custom algorithms to realize real-time display and streaming output for continuous acquisition of large datasets of swept-source OCT systems. For spectral domain (SD) OCT systems, significant increases in signal-to-noise ratios were achieved from a custom balanced detection (BD) OCT system. The BD system doubled measured signals while reducing common term. For functional imaging, a real-time directed scanner was introduced to visualize the 3D image of a sample to identify regions of interest prior to recording. Elucidating the characteristics of functional OCT signals with the aid of simulations, novel processing methods were also developed to stabilize samples being imaged and identify possible origins of functional signals being measured. Polarization-sensitive OCT was used to image cardiac tissue before and after clearing to identify the regions of vascular perfusion from a coronary artery. The resulting 3D image provides a visualization of the perfusion boundaries for the tissue that would be damaged from a myocardial infarction to possibly identity features that lead to fatal cardiac arrhythmias. 3D functional imaging was used to measure functional retinal activity from a light stimulus. In some cases, single trial responses were possible; measured at the outer segment of the photoreceptor layer. The morphology and time-course of these signals are similar to the intrinsic optical signals reported from phototransduction. Assessing function in the retina could aid in early detection of degenerative diseases of the retina, such as glaucoma and macular degeneration.

Effect of polarization on the stability of a helix dimer

NASA Astrophysics Data System (ADS)

Wang, Xing Y.; Zhang, John Z. H.

2011-01-01

Molecular dynamics (MD) simulations have been carried out to study helix-helix interaction using both standard AMBER and polarized force fields. Comparison of the two simulations shows that electrostatic polarization of intra-protein hydrogen bonds plays a significant role in stabilizing the structure of helix dimer. This stabilizing effect is clearly demonstrated by examining the monomer structure, helix crossing angle and stability of backbone hydrogen bonds under AMBER and PPC. Since reliable prediction of protein-protein structure is a significant challenge, the current study should help shed light on the importance of electrostatic polarization of protein in helix-helix interaction and helix bundle structures.

An implemented method of asymmetric transmission for arbitrary polarization base in multi-layered chiral meta-surface

NASA Astrophysics Data System (ADS)

Xiao, Zhong-yin; Zou, Huan-ling; Xu, Kai-Kai; Tang, Jing-yao

2018-03-01

Asymmetric transmission of linearly or circularly polarized waves is a well-established property not only for three-layered chiral structures but for multi-layered ones. Here we show a method which can simultaneously implement asymmetric transmission for arbitrary base vector polarized wave in multi-layered chiral meta-surface. We systematically study the implemented method based on a multi-layered chiral structure consisting of a y-shape, a half gammadion and an S-shape in the terahertz gap. A numerical simulation was carried out, followed by an explanation of the asymmetric transmission mechanism in these structures proposed in this work. The simulated results indicate that the multi-layered chiral structure can realize a maximum asymmetric transmission of 0.89 and 0.28 for circularly and linearly polarized waves, respectively, which exhibit magnitude improvement over previous chiral metamaterials. Specifically, the maximum asymmetric transmitted coefficient of the multi-layered chiral structure is insensitivity to the incident angles from 0° to 45° for circularly polarized components. Additionally, we also study the influence of structural parameters on the asymmetric transmission effect for both linearly and circularly polarized waves in detail.

Polarized luminescence of nc-Si-SiO x nanostructures on silicon substrates with patterned surface

NASA Astrophysics Data System (ADS)

Michailovska, Katerina; Mynko, Viktor; Indutnyi, Ivan; Shepeliavyi, Petro

2018-05-01

Polarization characteristics and spectra of photoluminescence (PL) of nc-Si-SiO x structures formed on the patterned and plane c-Si substrates are studied. The interference lithography with vacuum chalcogenide photoresist and anisotropic wet etching are used to form a periodic relief (diffraction grating) on the surface of the substrates. The studied nc-Si-SiO x structures were produced by oblique-angle deposition of Si monoxide in vacuum and the subsequent high-temperature annealing. The linear polarization memory (PM) effect in PL of studied structure on plane substrate is manifested only after the treatment of the structures in HF and is explained by the presence of elongated Si nanoparticles in the SiO x nanocolumns. But the PL output from the nc-Si-SiO x structure on the patterned substrate depends on how this radiation is polarized with respect to the grating grooves and is much less dependent on the polarization of the exciting light. The measured reflection spectra of nc-Si-SiO x structure on the patterned c-Si substrate confirmed the influence of pattern on the extraction of polarized PL.

Determination of Structural Topology of a Membrane Protein in Lipid -Bilayers using Polarization Optimized Experiments (POE) for Static and MAS Solid State NMR Spectroscopy

PubMed Central

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

2013-01-01

The low sensitivity inherent to both the static and magic angle spinning techniques of solid-state NMR (ssNMR) spectroscopy has thus far limited the routine application of multidimensional experiments to determine the structure of membrane proteins in lipid bilayers. Here, we demonstrate the advantage of using a recently developed class of experiments, polarization optimized experiments (POE), for both static and MAS spectroscopy to achieve higher sensitivity and substantial time-savings for 2D and 3D experiments. We used sarcolipin, a single pass membrane protein, reconstituted in oriented bicelles (for oriented ssNMR) and multilamellar vesicles (for MAS ssNMR) as a benchmark. The restraints derived by these experiments are then combined into a hybrid energy function to allow simultaneous determination of structure and topology. The resulting structural ensemble converged to a helical conformation with a backbone RMSD ∼ 0.44 Å, a tilt angle of 24° ± 1°, and an azimuthal angle of 55° ± 6°. This work represents a crucial first step toward obtaining high-resolution structures of large membrane proteins using combined multidimensional O-ssNMR and MAS-ssNMR. PMID:23963722

Mono vs multilayer fibronectin coatings on polar/hydrophobic/ionic polyurethanes: Altering surface interactions with human monocytes.

PubMed

Gossart, Audrey; Battiston, Kyle G; Gand, Adeline; Pauthe, Emmanuel; Santerre, J Paul

2018-01-15

Monocyte interactions with materials that are biofunctionalized with fibronectin (Fn) are of interest because of the documented literature which associates this protein with white blood cell function at implant sites. A degradable-polar hydrophobic ionic polyurethane (D-PHI), has been reported to promote an anti-inflammatory response from human monocytes. The aim of the current work was to study the influence of intrinsic D-PHI material chemistry on Fn adsorption (mono and multi-layer structures), and to investigate the influence of such chemistry on the structural state of the Fn, as well as the latter's influence on the activity of human monocytes on the protein coated substrates. Significant differences in Fn adsorption, surface hydrophobicity and the availability of defined peptide sequences (N terminal, C terminal or Cell Binding Domain) for the Fn in mono vs multilayer structures were observed as a function of the changes in intrinsic material chemistry. A D-PHI-formulated polyurethane substrate with subtle changes in anionic and hydrophobic domain content relative to the polar non-ionic urethane/carbonate groups within the polymer matrix promoted the lowest activation of monocytes, in the presence of multi-layer Fn constructs. These results highlight the importance of chemical heterogeneity as a design parameter for biomaterial surfaces, and establishes a desired strategy for controlling human monocyte activity at the surface of devices, when these are coated with multi-layer Fn structures. The latter is an important step towards functionalizing the materials with multi-layer protein drug carriers as interventional therapeutic agents. The control of the behavior of monocytes, especially migration and activation, is of crucial interest to modulate the inflammatory response at the site of implanted biomaterial. Several studies report the influence of adsorbed serum proteins on the behavior of monocytes on biomaterials. However, few studies show the influence of surface chemical group distribution on the controlled adsorption and the subsequent induced conformation- of mono versus multi-layer assembled structures generated from specific proteins implicated in wound repair. The current research considered the role of Fn adsorption and conformation in thin films while interacting with the intrinsic chemistry of segmented block polyurethanes; and the influence of the former on modulation and activation of human monocytes. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.