Science.gov

Sample records for molecular static third-order

  1. Molecular Static Third-Order Polarizabilities of Carbon-Cage Fullerenes and their Correlation with Three Geometric Parameters: Group Order, Aromaticity, and Size

    NASA Technical Reports Server (NTRS)

    Moore, Craig E.; Cardelino, Beatriz H.; Frazier, Donald O.; Niles, Julian; Wang, Xian-Qiang

    1997-01-01

    Calculations were performed on the valence contribution to the static molecular third-order polarizabilities (gamma) of thirty carbon-cage fullerenes (C60, C70, five isomers of C78, and twenty-three isomers of C84). The molecular structures were obtained from B3LYP/STO-3G calculations. The values of the tensor elements and an associated numerical uncertainty were obtained using the finite-field approach and polynomial expansions of orders four to eighteen of polarization versus static electric field data. The latter information was obtained from semiempirical calculations using the AM1 hamiltonian.

  2. Molecular Static Third-Order Polarizabilities of Carbon-Cage Fullerene and Their Correlation with Three Geometric Properties: Symmetry, Aromaticity, and Size

    NASA Technical Reports Server (NTRS)

    Moore, C. E.; Cardelino, B. H.; Frazier, D. O.; Niles, J.; Wang, X.-Q.

    1998-01-01

    The static third-order polarizabilities (gamma) of C60, C70, five isomers of C78 and two isomers of C84 were analyzed in terms of three properties, from a geometric point of view: symmetry, aromaticity and size. The polarizability values were based on the finite field approximation using a semiempirical Hamiltonian (AM1) and applied to molecular structures obtained from density functional theory calculations. Symmetry was characterized by the molecular group order. The selection of 6-member rings as aromatic was determined from an analysis of bond lengths. Maximum interatomic distance and surface area were the parameters considered with respect to size. Based on triple linear regression analysis, it was found that the static linear polarizability (alpha) and gamma in these molecules respond differently to geometrical properties: alpha depends almost exclusively on surface area while gamma is affected by a combination of number of aromatic rings, length and group order, in decreasing importance. In the case of alpha, valence electron contributions provide the same information as all-electron estimates. For gamma, the best correlation coefficients are obtained when all-electron estimates are used and when the dependent parameter is ln(gamma) instead of gamma.

  3. Decomposition of Polarimetric SAR Images Based on Second- and Third-order Statics Analysis

    NASA Astrophysics Data System (ADS)

    Kojima, S.; Hensley, S.

    2012-12-01

    There are many papers concerning the research of the decomposition of polerimetric SAR imagery. Most of them are based on second-order statics analysis that Freeman and Durden [1] suggested for the reflection symmetry condition that implies that the co-polarization and cross-polarization correlations are close to zero. Since then a number of improvements and enhancements have been proposed to better understand the underlying backscattering mechanisms present in polarimetric SAR images. For example, Yamaguchi et al. [2] added the helix component into Freeman's model and developed a 4 component scattering model for the non-reflection symmetry condition. In addition, Arii et al. [3] developed an adaptive model-based decomposition method that could estimate both the mean orientation angle and a degree of randomness for the canopy scattering for each pixel in a SAR image without the reflection symmetry condition. This purpose of this research is to develop a new decomposition method based on second- and third-order statics analysis to estimate the surface, dihedral, volume and helix scattering components from polarimetric SAR images without the specific assumptions concerning the model for the volume scattering. In addition, we evaluate this method by using both simulation and real UAVSAR data and compare this method with other methods. We express the volume scattering component using the wire formula and formulate the relationship equation between backscattering echo and each component such as the surface, dihedral, volume and helix via linearization based on second- and third-order statics. In third-order statics, we calculate the correlation of the correlation coefficients for each polerimetric data and get one new relationship equation to estimate each polarization component such as HH, VV and VH for the volume. As a result, the equation for the helix component in this method is the same formula as one in Yamaguchi's method. However, the equation for the volume

  4. A High-Resolution Demodulation Algorithm for FBG-FP Static-Strain Sensors Based on the Hilbert Transform and Cross Third-Order Cumulant

    PubMed Central

    Huang, Wenzhu; Zhen, Tengkun; Zhang, Wentao; Zhang, Fusheng; Li, Fang

    2015-01-01

    Static strain can be detected by measuring a cross-correlation of reflection spectra from two fiber Bragg gratings (FBGs). However, the static-strain measurement resolution is limited by the dominant Gaussian noise source when using this traditional method. This paper presents a novel static-strain demodulation algorithm for FBG-based Fabry-Perot interferometers (FBG-FPs). The Hilbert transform is proposed for changing the Gaussian distribution of the two FBG-FPs’ reflection spectra, and a cross third-order cumulant is used to use the results of the Hilbert transform and get a group of noise-vanished signals which can be used to accurately calculate the wavelength difference of the two FBG-FPs. The benefit by these processes is that Gaussian noise in the spectra can be suppressed completely in theory and a higher resolution can be reached. In order to verify the precision and flexibility of this algorithm, a detailed theory model and a simulation analysis are given, and an experiment is implemented. As a result, a static-strain resolution of 0.9 nε under laboratory environment condition is achieved, showing a higher resolution than the traditional cross-correlation method. PMID:25923938

  5. A High-Resolution Demodulation Algorithm for FBG-FP Static-Strain Sensors Based on the Hilbert Transform and Cross Third-Order Cumulant.

    PubMed

    Huang, Wenzhu; Zhen, Tengkun; Zhang, Wentao; Zhang, Fusheng; Li, Fang

    2015-01-01

    Static strain can be detected by measuring a cross-correlation of reflection spectra from two fiber Bragg gratings (FBGs). However, the static-strain measurement resolution is limited by the dominant Gaussian noise source when using this traditional method. This paper presents a novel static-strain demodulation algorithm for FBG-based Fabry-Perot interferometers (FBG-FPs). The Hilbert transform is proposed for changing the Gaussian distribution of the two FBG-FPs' reflection spectra, and a cross third-order cumulant is used to use the results of the Hilbert transform and get a group of noise-vanished signals which can be used to accurately calculate the wavelength difference of the two FBG-FPs. The benefit by these processes is that Gaussian noise in the spectra can be suppressed completely in theory and a higher resolution can be reached. In order to verify the precision and flexibility of this algorithm, a detailed theory model and a simulation analysis are given, and an experiment is implemented. As a result, a static-strain resolution of 0.9 nε under laboratory environment condition is achieved, showing a higher resolution than the traditional cross-correlation method. PMID:25923938

  6. Theory of third-order spectroscopic methods to extract detailed molecular orientational dynamics for planar surfaces and other uniaxial systems

    SciTech Connect

    Nishida, Jun; Fayer, Michael D.

    2014-04-14

    Functionalized organic monolayers deposited on planar two-dimensional surfaces are important systems for studying ultrafast orientational motions and structures of interfacial molecules. Several studies have successfully observed the orientational relaxation of functionalized monolayers by fluorescence depolarization experiments and recently by polarization-resolved heterodyne detected vibrational transient grating (HDTG) experiments. In this article we provide a model-independent theory to extract orientational correlation functions unique to interfacial molecules and other uniaxial systems based on polarization-resolved resonant third-order spectroscopies, such as pump-probe spectroscopy, HDTG spectroscopy, and fluorescence depolarization experiment. It will be shown (in the small beam-crossing angle limit) that five measurements are necessary to completely characterize the monolayer's motions: I{sub ∥}(t) and I{sub ⊥}(t) with the incident beams normal to the surface, I{sub ∥}(t) and I{sub ⊥}(t) with a non-zero incident angle, and a time averaged linear dichroism measurement. Once these measurements are performed, two orientational correlation functions corresponding to in-plane and out-of-plane motions are obtained. The procedure is applicable not only for monolayers on flat surfaces, but any samples with uniaxial symmetry such as uniaxial liquid crystals and aligned planar bilayers. The theory is valid regardless of the nature of the actual molecular motions on interface. We then apply the general results to wobbling-in-a-cone model, in which molecular motions are restricted to a limited range of angles. Within the context of the model, the cone angle, the tilt of the cone relative to the surface normal, and the orientational diffusion constant can be determined. The results are extended to describe analysis of experiments where the beams are not crossing in the small angle limit.

  7. Novel third-order Lovelock wormhole solutions

    NASA Astrophysics Data System (ADS)

    Mehdizadeh, Mohammad Reza; Lobo, Francisco S. N.

    2016-06-01

    In this work, we consider wormhole geometries in third-order Lovelock gravity and investigate the possibility that these solutions satisfy the energy conditions. In this framework, by applying a specific equation of state, we obtain exact wormhole solutions, and by imposing suitable values for the parameters of the theory, we find that these geometries satisfy the weak energy condition in the vicinity of the throat, due to the presence of higher-order curvature terms. Finally, we trace out a numerical analysis, by assuming a specific redshift function, and find asymptotically flat solutions that satisfy the weak energy condition throughout the spacetime.

  8. Magnetic branes in third order Lovelock-Born-Infeld gravity

    SciTech Connect

    Dehghani, M. H.; Bostani, N.; Hendi, S. H.

    2008-09-15

    Considering both the nonlinear invariant terms constructed by the electromagnetic field and the Riemann tensor in gravity action, we obtain a new class of (n+1)-dimensional magnetic brane solutions in third order Lovelock-Born-Infeld gravity. This class of solutions yields a spacetime with a longitudinal nonlinear magnetic field generated by a static source. These solutions have no curvature singularity and no horizons but have a conic geometry with a deficit angle {delta}. We find that, as the Born-Infeld parameter decreases, which is a measure of the increase of the nonlinearity of the electromagnetic field, the deficit angle increases. We generalize this class of solutions to the case of spinning magnetic solutions and find that, when one or more rotation parameters are nonzero, the brane has a net electric charge which is proportional to the magnitude of the rotation parameters. Finally, we use the counterterm method in third order Lovelock gravity and compute the conserved quantities of these spacetimes. We found that the conserved quantities do not depend on the Born-Infeld parameter, which is evident from the fact that the effects of the nonlinearity of the electromagnetic fields on the boundary at infinity are wiped away. We also find that the properties of our solution, such as deficit angle, are independent of Lovelock coefficients.

  9. Time Correlation Function Modeling of Third-Order Sum Frequency Vibrational Spectroscopy of a Charged Surface/Water Interface.

    PubMed

    Green, Anthony J; Space, Brian

    2015-07-23

    Sum frequency vibrational spectroscopy (SFVS), a second-order optical process, is interface-specific in the dipole approximation [Perry, A.; Neipert, C.; Moore, P.; Space, B. Chem. Rev. 2006, 106, 1234-1258; Richmond, G. L. Chem. Rev. 2002, 102, 2693-2724; Byrnes, S. J.; Geissler, P. L.; Shen, Y. R. Chem. Phys. Lett. 2011, 516, 115-124]. At charged interfaces, the experimentally detected signal is a combination of enhanced second-order and static-field-induced third-order contributions due to the existence of a static field. Evidence of the importance/relative magnitude of this third-order contribution is seen in the literature [Ong, S.; Zhao, X.; Eisenthal, K. B. Chem. Phys. Lett. 1992, 191, 327-335; Zhao, X.; Ong, S.; Eisenthal, K. B. Chem. Phys. Lett. 1993, 202, 513-520; Shen, Y. R. Appl. Phys. B: Laser Opt. 1999, 68, 295-300], but a molecularly detailed approach to separately calculating the second- and third-order contributions is difficult to construct. Recent work presented a novel molecular dynamics (MD)-based theory that provides a direct means to calculate the third-order contributions to SFVS spectra at charged interfaces [Neipert, C.; Space, B. J. Chem. Phys. 2006, 125, 224706], and a hyperpolarizability model for water was developed as a prerequisite to practical implementation [Neipert, C.; Space, B. Comput. Lett. 2007, 3, 431-440]. Here, these methods are applied to a highly abstracted/idealized silica/water interface, and the results are compared to experimental data for water at a fused quartz surface. The results suggest that such spectra have some quite general spectral features.

  10. Microstrain-level measurement of third-order elastic constants applying dynamic acousto-elastic testing

    NASA Astrophysics Data System (ADS)

    Renaud, Guillaume; Talmant, Maryline; Marrelec, Guillaume

    2016-10-01

    The nonlinear elasticity of solids at the microstrain level has been recently studied by applying dynamic acousto-elastic testing. It is the analog of conventional quasi-static acousto-elastic experiments but the strain-dependence (or stress-dependence) of ultrasonic wave-speed is measured with an applied strain ranging from 10-7 to 10-5 and produced by a stationary elastic wave. In conventional quasi-static acousto-elastic experiments, the strain is applied in a quasi-static manner; it exceeds 10-4 and can reach 10-2. In this work, we apply dynamic acousto-elastic testing to measure the third-order elastic constants of two isotropic materials: polymethyl methacrylate and dry Berea sandstone. The peak amplitude of the dynamic applied strain is 8 × 10-6. The method is shown to be particularly suitable for materials exhibiting large elastic nonlinearity like sandstones, since the measurement is performed in the domain of validity of the third-order hyperelastic model. In contrast, conventional quasi-static acousto-elastic experiments in such materials are often performed outside the domain of validity of the third-order hyperelastic model and the stress-dependence of the ultrasonic wave-speed must be extrapolated at zero stress, leading to approximate values of the third-order elastic constants. The uncertainty of the evaluation of the third-order elastic constants is assessed by repeating multiple times the measurements and with Monte-Carlo simulations. The obtained values of the Murnaghan third-order elastic constants are l = -73 GPa ± 9%, m = -34 GPa ± 9%, and n = -61 GPa ± 10% for polymethyl methacrylate, and l = -17 000 GPa ± 20%, m = -11 000 GPa ± 10%, and n = -30 000 GPa ± 20% for dry Berea sandstone.

  11. Ghost imaging with thermal light by third-order correlation

    SciTech Connect

    Bai Yanfeng; Han Shensheng

    2007-10-15

    Ghost imaging with classical incoherent light by third-order correlation is investigated. We discuss the similarities and the differences between ghost imaging by third-order correlation and by second-order correlation, and analyze the effect from each correlation part of the third-order correlation function on the imaging process. It is shown that the third-order correlated imaging includes richer correlated imaging effects than the second-order correlated one, while the imaging information originates mainly from the correlation of the intensity fluctuations between the test detector and each reference detector, as does ghost imaging by second-order correlation.

  12. Second molecular hyperpolarizability of 2,2'-diamino-7,7'-dinitro-9,9'- spirobifluorene: An experimental study on third-order nonlinear optical properties of a spiroconjugated dimer

    NASA Astrophysics Data System (ADS)

    Kim, So Yeon; Lee, Minyung; Boo, Bong Hyun

    1998-08-01

    Nonlinear optical properties of a fixed molecular dimer, 2,2'-diamino-7,7'-dinitro9,9'-spirobifluorene (ANSF), have been investigated in solution by the degenerate four-wave mixing technique. It has been observed that the orientationally averaged second molecular hyperpolarizability of ANSF in THF is enhanced ten times in comparison with its monomer unit, 2-amino-7-nitrofluorene. Since electronic coupling between monomer units in ANSF is negligible owing to symmetry, we attribute the large enhancement to the orientational effect of the two constituting dipoles with possible involvement of vibronic coupling and spiroconjugation.

  13. Mobile and static molecular disorder in liquids

    NASA Astrophysics Data System (ADS)

    Huyskens, Pierre L.

    1992-11-01

    The fraction of time during which a molecule of a pure alcohol does not undergo H-bonding, estimated from the vapor pressure, is two orders of magnitude larger than the fraction of molecules that at a given time are not bound by an H-bond to their neighbors, as deduced from IR spectroscopic data. This obviously "anti-ergodic" statement renders questionable all the thermodynamic treatments of H-bonding in liquids, which are based on the usual Boltzmann expression. This expression equates the thermodynamic probability of a system with the static probability of distribution of the various states and, as outlined by Einstein, does not hold for non-ergodic systems. As pointed out by Pais (A. Pais, Subtle is the Lord. The Science and the Life of Albert Einstein, Oxford University Press, 1982), another Boltzmann relation relates the thermodynamic probability of a state to the fraction of time during which the system is found in that state. The latter definition was used by Einstein in his treatment of the ergodic problem. Similarly, the theory of the thermodynamics of mobile order in H-bonded liquids, of Huyskens and Siegel (P.L. Huyskens and G.G. Siegel, Bull. Soc. Chim. Belg., 97 (1988) 821), considers not the static configurations of the liquid, but the fraction of time during which an OH proton follows the oxygen atom of one or another neighboring molecules in its motion through the liquid. This coordination lowers the entropy and this reduction can be evaluated quantitatively. The present paper establishes a distinction between the static disorder, which is due to the possibility of exchange between the positions of the molecules and exists in mixed crystals, and the mobile disorder, which is due to the enlargement of the domain available for the motions of a given molecule, provoked by the mixing of two real gases. The mixing of two liquids allows an exchange in the positions, but also an expansion of the individual domains available for the motions. Thus, the

  14. Higher-dimensional thin-shell wormholes in third-order Lovelock gravity

    NASA Astrophysics Data System (ADS)

    Mehdizadeh, Mohammad Reza; Zangeneh, Mahdi Kord; Lobo, Francisco S. N.

    2015-08-01

    In this paper, we explore asymptotically flat charged thin-shell wormholes of third order Lovelock gravity in higher dimensions, taking into account the cut-and-paste technique. Using the generalized junction conditions, we determine the energy-momentum tensor of these solutions on the shell, and explore the issue of the energy conditions and the amount of normal matter that supports these thin-shell wormholes. Our analysis shows that for negative second-order and positive third-order Lovelock coefficients, there are thin-shell wormhole solutions that respect the weak energy condition. In this case, the amount of normal matter increases as the third-order Lovelock coefficient decreases. We also find novel solutions which possess specific regions where the energy conditions are satisfied for the case of a positive second-order and negative third-order Lovelock coefficients. Finally, a linear stability analysis in higher dimensions around the static solutions is carried out. Considering a specific cold equation of state, we find a wide range of stability regions.

  15. Achromatic phase matching at third orders of dispersion

    DOEpatents

    Richman, Bruce

    2003-10-21

    Achromatic phase-matching (APM) is used for efficiently multiplying the frequency of broad bandwidth light by using a nonlinear optical medium comprising a second-harmonic generation (SHG) crystal and stationary optical elements whose configuration, properties, and arrangement have been optimized to match the angular dispersion characteristics of the SHG crystal to at least the third order. These elements include prisms and diffraction gratings for directing an input light beam onto the SHG crystal such that each ray wavelength is aligned to match the phase-matching angle for the crystal at each wavelength of light to at least the third order and such that every ray wavelength overlap within the crystal.

  16. Magnetic field induced third order susceptibility of third order harmonic generation in a ZnMgSe strained quantum well

    SciTech Connect

    Mark, J. Abraham Hudson Peter, A. John

    2014-04-24

    Third order susceptibility of third order harmonic generation is investigated in a Zn{sub 0.1}Mg{sub 0.9}Se/Zn{sub 0.8}Mg{sub 0.2}Se/Zn{sub 0.1}Mg{sub 0.9}Se quantum well in the presence of magnetic field strength. The confinement potential is considered as the addition of energy offsets of the conduction band (or valence band) and the strain-induced potential in our calculations. The material dependent effective mass is followed throughout the computation because it has a high influence on the electron energy levels in low dimensional semiconductor systems.

  17. Constructing higher-order hydrodynamics: The third order

    NASA Astrophysics Data System (ADS)

    Grozdanov, Sašo; Kaplis, Nikolaos

    2016-03-01

    Hydrodynamics can be formulated as the gradient expansion of conserved currents in terms of the fundamental fields describing the near-equilibrium fluid flow. In the relativistic case, the Navier-Stokes equations follow from the conservation of the stress-energy tensor to first order in derivatives. In this paper, we go beyond the presently understood second-order hydrodynamics and discuss the systematization of obtaining the hydrodynamic expansion to an arbitrarily high order. As an example of the algorithm that we present, we fully classify the gradient expansion at third order for neutral fluids in four dimensions, thus finding the most general next-to-leading-order corrections to the relativistic Navier-Stokes equations in curved space-time. In doing so, we list 20 new transport coefficient candidates in the conformal case and 68 in the nonconformal case. As we do not consider any constraints that could potentially arise from the local entropy current analysis, this is the maximal possible set of neutral third-order transport coefficients. To investigate the physical implications of these new transport coefficients, we obtain the third-order corrections to the linear dispersion relations that describe the propagation of diffusion and sound waves in relativistic fluids. We also compute the corrections to the scalar (spin-2) two-point correlation function of the third-order stress-energy tensor. Furthermore, as an example of a nonlinear hydrodynamic flow, we calculate the third-order corrections to the energy density of a boost-invariant Bjorken flow. Finally, we apply our field theoretic results to the N =4 supersymmetric Yang-Mills fluid at infinite 't Hooft coupling and an infinite number of colors to find the values of five new linear combinations of the conformal transport coefficients.

  18. Thermodynamics of asymptotically flat charged black holes in third order Lovelock gravity

    SciTech Connect

    Dehghani, M.H.; Shamirzaie, M.

    2005-12-15

    We present a new class of asymptotically flat charge static solutions in third order Lovelock gravity. These solutions present black hole solutions with two inner and outer event horizons, extreme black holes, or naked singularities provided the parameters of the solutions are chosen suitable. We find that the uncharged asymptotically flat solutions can present black holes with two inner and outer horizons. This kind of solution does not exist in Einstein or Gauss-Bonnet gravity, and it is a special effect in third order Lovelock gravity. We compute temperature, entropy, charge, electric potential, and mass of the black hole solutions, and find that these quantities satisfy the first law of thermodynamics. We also perform a stability analysis by computing the determinant of the Hessian matrix of the mass with respect to its thermodynamic variables in both the canonical and the grand-canonical ensembles, and show that there exists only an intermediate stable phase.

  19. Third order response to a multifrequency photon field in semiconductors

    NASA Astrophysics Data System (ADS)

    Combescot, M.; Betbeder-Matibet, O.

    2009-03-01

    This paper contains a detailed calculation of the photoinduced current density at third order in the coupling between a semiconductor and a multifrequency photon field, starting from its standard textbook expression which reads in terms of a triple commutator. Due to a major intrinsic problem linked to this triple commutator, such a derivation has been made possible quite recently only, thanks to the tools developed in the composite-boson many-body theory we have recently constructed. The photoinduced current density is shown to ultimately read in a compact form, in terms of the “Pauli scatterings” and “Coulomb scatterings” for exciton-exciton interactions introduced in this theory. Representation of this third order response in Shiva diagrams, which visualize interactions between excitons, is also given to better grasp the physics of the various contributions.

  20. Third-order solution of an artificial-satellite theory

    NASA Technical Reports Server (NTRS)

    Kinoshita, H.

    1978-01-01

    A third-order solution is developed for the motions of artificial satellites moving in the gravitational field of the earth, whose potential includes the second-, third-, and fourth-order zonal harmonics. Third-order periodic perturbations with fourth-order secular perturbations are derived by Hori's perturbations method. All quantities are expanded into power series of the eccentricity, but the solution is obtained so as to be closed with respect to the inclination. A comparison with the results of numerical integration of the equations of motion indicates that the solution can predict the position of a close-earth satellite with a small eccentricity with an accuracy of better than 1 cm over 1 month.

  1. Third-order solution of an artificial-satellite theory

    NASA Technical Reports Server (NTRS)

    Kinoshita, H.

    1977-01-01

    A third-order solution was developed for the motions of artificial satellites moving in the gravitational field of the earth, whose potential includes the second-, third-, and fourth-order zonal harmonics. Third-order periodic perturbations with fourth-order secular perturbations were derived by the Hori perturbation method. All quantities were expanded into power series of the eccentricity, but the solution was obtained so as to be closed with respect to the inclination. A comparison with the results of numerical integration of the equations of motion indicates that the solution can predict the position of a close-earth, small-eccentricity satellite with an accuracy of better than one cm over a period of one month.

  2. Third-order TRANSPORT: A computer program for designing charged particle beam transport systems

    SciTech Connect

    Carey, D.C.; Brown, K.L.; Rothacker, F.

    1995-05-01

    TRANSPORT has been in existence in various evolutionary versions since 1963. The present version of TRANSPORT is a first-, second-, and third-order matrix multiplication computer program intended for the design of static-magnetic beam transport systems. This report discusses the following topics on TRANSPORT: Mathematical formulation of TRANSPORT; input format for TRANSPORT; summaries of TRANSPORT elements; preliminary specifications; description of the beam; physical elements; other transformations; assembling beam lines; operations; variation of parameters for fitting; and available constraints -- the FIT command.

  3. Study on third-order nonlinear optical properties of 4-methylsulfanyl chalcone derivatives using picosecond pulses

    SciTech Connect

    D'silva, E.D.; Podagatlapalli, G. Krishna; Venugopal Rao, S.; Dharmaprakash, S.M.

    2012-11-15

    Graphical abstract: Photograph and schematic representation of Z-scan experimental setup used to investigate third order nonlinear properties of the chalcone materials. Highlights: ► Br and NO{sub 2} substituted chalcone derivatives were exposed to picosecond laser pulses. ► Third-order nonlinear optical (NLO) properties were investigated. ► Compounds show promising third-order and optical limiting properties. ► These materials found suitable for electrical and optical applications. -- Abstract: In this paper we present results from the experimental study of third-order nonlinear optical (NLO) properties of three molecules of Br and NO{sub 2} substituted chalcone derivatives namely (2E)-1-(4-bromophenyl)-3-[4(methylsulfanyl)phenyl]prop-2-en-1-one (4Br4MSP), (2E)-1-(3-bromophenyl)-3-[4-(methylsulfanyl) phenyl]prop-2-en-1-one (3Br4MSP) and (2E)-3[4(methylsulfanyl) phenyl]-1-(4-nitrophenyl)prop-2-en-1-one (4N4MSP). The NLO properties have been investigated by Z-scan technique using 2 ps laser pulses at 800 nm. The nonlinear refractive indices, nonlinear absorption coefficient, and the magnitude of third-order susceptibility have been determined. The values obtained are of the order of 10{sup −7} cm{sup 2}/GW, 10{sup −3} cm/GW and 10{sup −14} esu respectively. The molecular second hyperpolarizability for the chalcone derivatives is of the order of 10{sup −32} esu. The coupling factor, excited state cross section, ground state cross section etc. were determined. The optical limiting (OL) property was studied. The results suggest that the nonlinear properties investigated for present chalcones are comparable with some of the reported chalcone derivatives and can be desirable for NLO applications.

  4. Third Order Nonlinear Optical Effects in Some Polybenzidines

    NASA Astrophysics Data System (ADS)

    Cheng, Chi Fai

    Third order nonlinear optical properties of organic compounds with pi electron delocalization are currently receiving much attention in view of potential applications in switching and optical information processing. Polymers of Benzidine were synthesized by hydrogen peroxide reaction catalyzed by horseradish peroxidase enzyme. The polymerization reaction was carried out at room temperature in a monophasic organic solvent with a small amount of water at pH 7.5. The technique of Degenerate Four Wave Mixing with picosecond and nanosecond pulses was employed to measure the third order susceptibility chi^{(3) } of polybenzidine. The observed values for chi^{(3)} are of order 10^{-9} to 10 ^{-8} esu. In order to understand the origin of these high values of chi^ {(3)}, we measured the real and imaginary components of chi^{(3)} . Investigation of total energy transmission as a function of incident intensity and fluence at 532 nm for picosecond and nanosecond laser pulses using a frequency doubled Nd:YAG laser indicates reverse saturable absorption. The experiments are carried out for the sample in solution in Dimethyl Sulfoxide and Methanol (DMSO:MeOH) 4:1 ratio. As we observe the nanosecond and picosecond curves to be superimposed for intensity dependence and not for fluence, we conclude that the third order nonlinearity is predominantly due to two photon absorption. Values for Im chi ^{(3)} determined by our experiments are of order 10^{-9} to 10^{-8} esu. We measure the real part of chi^{(3)} by optical Kerr gate technique. The value is about one order lower compared to the imaginary component. In view of the reverse saturable absorption characteristics observed for the samples, the material is a good candidate for applications in optical power limiting.

  5. Global attractors for a third order in time nonlinear dynamics

    NASA Astrophysics Data System (ADS)

    Caixeta, Arthur H.; Lasiecka, Irena; Cavalcanti, Valéria N. D.

    2016-07-01

    Long time behavior of a third order (in time) nonlinear PDE equation is considered. This type of equations arises in the context of nonlinear acoustics [12,20,22,24] where modeling accounts for a finite speed of propagation paradox, the latter results in hyperbolic nature of the dynamics. It will be proved that the underlying PDE generates a well-posed dynamical system which admits a global and finite dimensional attractor. The main difficulty associated with the problem studied is the lack of Lyapunov function along with the lack of compactness of trajectories, which fact prevents applicability of standard tools in the area of dynamical systems.

  6. Multifield cosmological perturbations at third order and the ekpyrotic trispectrum

    SciTech Connect

    Lehners, Jean-Luc; Renaux-Petel, Sebastien

    2009-09-15

    Using the covariant formalism, we derive the equations of motion for adiabatic and entropy perturbations at third order in perturbation theory for cosmological models involving two scalar fields. We use these equations to calculate the trispectrum of ekpyrotic and cyclic models in which the density perturbations are generated via the entropic mechanism. In these models, the conversion of entropy into curvature perturbations occurs just before the big bang, either during the ekpyrotic phase or during the subsequent kinetic energy dominated phase. In both cases, we find that the nonlinearity parameters f{sub NL} and g{sub NL} combine to leave a very distinct observational imprint.

  7. Asymptotically flat radiating solutions in third order Lovelock gravity

    SciTech Connect

    Dehghani, M. H.; Farhangkhah, N.

    2008-09-15

    In this paper, we present an exact spherically symmetric solution of third order Lovelock gravity in n dimensions which describes the gravitational collapse of a null dust fluid. This solution is asymptotically (anti-)de Sitter or flat depending on the choice of the cosmological constant. Using the asymptotically flat solution for n{>=}7 with a power-law form of the mass as a function of the null coordinate, we present a model for a gravitational collapse in which a null dust fluid radially injects into an initially flat and empty region. It is found that a naked singularity is inevitably formed whose strength is different for the n=7 and n{>=}8 cases. In the n=7 case, the limiting focusing condition for the strength of curvature singularity is satisfied. But for n{>=}8, the strength of curvature singularity depends on the rate of increase of mass of the spacetime. These considerations show that the third order Lovelock term weakens the strength of the curvature singularity.

  8. Third order nonlinear optical properties of bismuth zinc borate glasses

    SciTech Connect

    Shanmugavelu, B.; Ravi Kanth Kumar, V. V.; Kuladeep, R.; Narayana Rao, D.

    2013-12-28

    Third order nonlinear optical characterization of bismuth zinc borate glasses are reported here using different laser pulse durations. Bismuth zinc borate glasses with compositions xBi{sub 2}O{sub 3}-30ZnO-(70-x) B{sub 2}O{sub 3} (where x = 30, 35, 40, and 45 mol. %) have been prepared by melt quenching method. These glasses were characterized by Raman, UV-Vis absorption, and Z scan measurements. Raman and UV-Vis spectroscopic results indicate that non-bridging oxygens increase with increase of bismuth content in the glass. Nonlinear absorption and refraction behavior in the nanosecond (ns), picosecond (ps), and femtosecond (fs) time domains were studied in detail. Strong reverse saturable absorption due to dominant two-photon absorption (TPA) was observed with both ps and fs excitations. In the case of ns pulse excitations, TPA and free-carrier absorption processes contribute for the nonlinear absorption. Two-photon absorption coefficient (β) and the absorption cross section due to free carriers (σ{sub e}) are estimated by theoretical fit of the open aperture Z-scan measurements and found to be dependent on the amount of bismuth oxide in the glass composition. In both ns and fs regimes the sign and magnitude of the third order nonlinearity are evaluated, and the optical limiting characteristics are also reported.

  9. Thermodynamic instability of black holes of third order Lovelock gravity

    SciTech Connect

    Dehghani, M. H.; Pourhasan, R.

    2009-03-15

    In this paper, we compute the mass and the temperature of the uncharged black holes of third order Lovelock gravity as well as the entropy using the first law of thermodynamics. We perform a stability analysis by studying the curves of the temperature versus the mass parameter, and find that an intermediate thermodynamically unstable phase exists for black holes with a hyperbolic horizon. This unstable phase for the uncharged topological black holes of third order Lovelock gravity does not exist in lower order Lovelock gravity. We also perform a stability analysis for a spherical, seven-dimensional black hole of Lovelock gravity and find that, while these kinds of black holes for small values of Lovelock coefficients have an intermediate unstable phase, they are stable for large values of Lovelock coefficients. We also find that an intermediate unstable phase exists for these black holes in higher dimensions. This analysis shows that the thermodynamic stability of black holes with curved horizons is not a robust feature of all the generalized theories of gravity.

  10. Spacetimes with longitudinal and angular magnetic fields in third order Lovelock gravity

    SciTech Connect

    Dehghani, M. H.; Bostani, N.

    2007-04-15

    We obtain two new classes of magnetic solutions in third order Lovelock gravity. The first class of solutions yields an (n+1)-dimensional spacetime with a longitudinal magnetic field generated by a static source. We generalize this class of solutions to the case of spinning magnetic strings with one or more rotation parameters. These solutions have no curvature singularity and no horizons, but have a conic geometry. For the spinning string, when one or more rotation parameters are nonzero, the string has a net electric charge which is proportional to the magnitude of the rotation parameters, while the static string has no net electric charge. The second class of solutions yields a spacetime with an angular magnetic field. These solutions have no curvature singularity, no horizon, and no conical singularity. Although the second class of solutions may be made electrically charged by a boost transformation, the transformed solutions do not present new spacetimes. Finally, we use the counterterm method in third order Lovelock gravity and compute the conserved quantities of these spacetimes.

  11. Maxwell's second- and third-order equations of transfer for non-Maxwellian gases

    NASA Technical Reports Server (NTRS)

    Baganoff, D.

    1992-01-01

    Condensed algebraic forms for Maxwell's second- and third-order equations of transfer are developed for the case of molecules described by either elastic hard spheres, inverse-power potentials, or by Bird's variable hard-sphere model. These hardly reduced, yet exact, equations provide a new point of origin, when using the moment method, in seeking approximate solutions in the kinetic theory of gases for molecular models that are physically more realistic than that provided by the Maxwell model. An important by-product of the analysis when using these second- and third-order relations is that a clear mathematical connection develops between Bird's variable hard-sphere model and that for the inverse-power potential.

  12. Third-order transport properties of ion-swarms from mobility and diffusion coefficients

    NASA Astrophysics Data System (ADS)

    Koutselos, Andreas D.

    2005-08-01

    A method is presented for the calculation of third order transport properties of ions drifting in gases under the action of an electrostatic field with the use of mobility and ion-diffusion coefficients. The approach is based on a three-temperature treatment of the Boltzmann equation for the ion transport and follows the development of generalized Einstein relations (GER), between diffusion coefficients and mobility. The whole procedure is tested by comparison with numerical and molecular dynamics simulation results for three available alkali ion-noble gas systems. Extension to systems involving internal degrees of freedom and inelastic collisions is shown to follow the development of molecular GER.

  13. Third order LPF type compensator for flexible rotor suspension

    NASA Technical Reports Server (NTRS)

    Matsushita, Osami; Takahashi, Naohiko; Takagi, Michiyuki

    1994-01-01

    The tuning job of the compensator for levitating flexible rotors supported by active magnetic bearings (AMB) concerns providing a good damping effect to the critical speed modes while avoiding the spillover problem on the instability of higher bending modes. In this paper, an idea for design of the control law of the compensator based on utilizing a third order low pass filter (LPF) is proposed to essentially enable elimination of the spillover instability. According to the proposed design method, good damping effects for the critical speeds are obtained by the usual phase lead/lag function. Stabilization for all of higher bending modes is completed by the additional function of the 3rd order LPF due to its phase lag approaching about -270 degrees in the high frequency domain. This idea is made clear by experiments and simulations.

  14. Einstein-Weyl spaces and third-order differential equations

    NASA Astrophysics Data System (ADS)

    Tod, K. P.

    2000-08-01

    The three-dimensional null-surface formalism of Tanimoto [M. Tanimoto, "On the null surface formalism," Report No. gr-qc/9703003 (1997)] and Forni et al. [Forni et al., "Null surfaces formation in 3D," J. Math Phys. (submitted)] are extended to describe Einstein-Weyl spaces, following Cartan [E. Cartan, "Les espaces généralisées et l'integration de certaines classes d'equations différentielles," C. R. Acad. Sci. 206, 1425-1429 (1938); "La geometria de las ecuaciones diferenciales de tercer order," Rev. Mat. Hispano-Am. 4, 1-31 (1941)]. In the resulting formalism, Einstein-Weyl spaces are obtained from a particular class of third-order differential equations. Some examples of the construction which include some new Einstein-Weyl spaces are given.

  15. Photographic evidence for the third-order rainbow.

    PubMed

    Grossmann, Michael; Schmidt, Elmar; Haussmann, Alexander

    2011-10-01

    The first likely photographic observation of the tertiary rainbow caused by sunlight in the open air is reported and analyzed. Whereas primary and secondary rainbows are rather common and easily seen phenomena in atmospheric optics, the tertiary rainbow appears in the sunward side of the sky and is thus largely masked by forward scattered light. Up to now, only a few visual reports and no reliable photographs of the tertiary rainbow are known. Evidence of a third-order rainbow has been obtained by using image processing techniques on a digital photograph that contains no obvious indication of such a rainbow. To rule out any misinterpretation of artifacts, we carefully calibrated the image in order to compare the observed bow's angular position and dispersion with those predicted by theory. PMID:22016237

  16. Dynamic properties and third order diffusion coefficients of ions in electrostatic fields

    NASA Astrophysics Data System (ADS)

    Koutselos, Andreas D.

    1997-05-01

    Velocity correlation functions and third order diffusion coefficients of ions moving in a buffer gas under the influence of an electrostatic field are determined via molecular dynamics simulation. For the closed shell system of K+ in Ar using a universal interaction model potential, the general form of the third order correlation functions is found to be monotonically decaying in time except in the cases of <ΔvZ(0)ΔvX(t)2>, <ΔvZ(0)ΔvY(t)2>, and <ΔvZ(0)ΔvZ(t)2>, with Δv(t)=v(t) - and the field in the z direction. These functions acquire positive slope at short times showing enhancement of correlations between instantaneous vz components of the ions and their future kinetic energies or velocity measures. This feature is shown to quantify the dynamics of correlations between velocity components suggested in the past by Ong, Hogan, Lam and Viehland [Phys. Rev. A 45, 3997 (1992)] in order to explain the form of an ion velocity distribution function calculated through a Monte Carlo simulation method. In addition, within a stochastic analysis which establishes a relation between velocity correlation functions and third order diffusion coefficients, only two independent components of the diffusion tensor, Q∥ and Q⊥, are predicted. We thereby calculate the Q⊥ component, which has not been determined so far, over a wide field range. The magnitudes of the resulting third order diffusion coefficients indicate that their contribution to the ion transport in usual drift-tube measurements should be very small.

  17. Topology and static response of interaction networks in molecular biology.

    PubMed

    Radulescu, Ovidiu; Lagarrigue, Sandrine; Siegel, Anne; Veber, Philippe; Le Borgne, Michel

    2006-02-22

    We introduce a mathematical framework describing static response of networks occurring in molecular biology. This formalism has many similarities with the Laplace-Kirchhoff equations for electrical networks. We introduce the concept of graph boundary and we show how the response of the biological networks to external perturbations can be related to the Dirichlet or Neumann problems for the corresponding equations on the interaction graph. Solutions to these two problems are given in terms of path moduli (measuring path rigidity with respect to the propagation of interaction along the graph). Path moduli are related to loop products in the interaction graph via generalized Mason-Coates formulae. We apply our results to two specific biological examples: the lactose operon and the genetic regulation of lipogenesis. Our applications show consistency with experimental results and in the case of lipogenesis check some hypothesis on the behaviour of hepatic fatty acids on fasting. PMID:16849230

  18. Topology and static response of interaction networks in molecular biology

    PubMed Central

    Radulescu, Ovidiu; Lagarrigue, Sandrine; Siegel, Anne; Veber, Philippe; Le Borgne, Michel

    2005-01-01

    We introduce a mathematical framework describing static response of networks occurring in molecular biology. This formalism has many similarities with the Laplace–Kirchhoff equations for electrical networks. We introduce the concept of graph boundary and we show how the response of the biological networks to external perturbations can be related to the Dirichlet or Neumann problems for the corresponding equations on the interaction graph. Solutions to these two problems are given in terms of path moduli (measuring path rigidity with respect to the propagation of interaction along the graph). Path moduli are related to loop products in the interaction graph via generalized Mason–Coates formulae. We apply our results to two specific biological examples: the lactose operon and the genetic regulation of lipogenesis. Our applications show consistency with experimental results and in the case of lipogenesis check some hypothesis on the behaviour of hepatic fatty acids on fasting. PMID:16849230

  19. Transmission Measurement of the Third-Order Susceptibility of Gold

    NASA Technical Reports Server (NTRS)

    Smith, David D.; Yoon, Youngkwon; Boyd, Robert W.; Crooks, Richard M.; George, Michael

    1999-01-01

    Gold nanoparticle composites are known to display large optical nonlinearities. In order to assess the validity of generalized effective medium theories (EMT's) for describing the linear and nonlinear optical properties of metal nanoparticle composites, knowledge of the linear and nonlinear susceptibilities of the constituent materials is a prerequisite. In this study the inherent nonlinearity of the metal is measured directly (rather than deduced from a suitable EMT) using a very thin gold film. Specifically, we have used the z-scan technique at a wavelength near the transmission window of bulk gold to measure the third-order susceptibility of a continuous thin gold film deposited on a quartz substrate surface-modified with a self-assembled monolayer to promote adhesion and uniformity without affecting the optical properties. We compare our results with predictions which ascribe the nonlinear response to a Fermi-smearing mechanism. Further, we note that the sign of the nonlinear susceptibility is reversed from that of gold nanoparticle composites.

  20. Second and third order nonlinear optical properties of conjugated molecules and polymers

    NASA Technical Reports Server (NTRS)

    Perry, Joseph W.; Stiegman, Albert E.; Marder, Seth R.; Coulter, Daniel R.; Beratan, David N.; Brinza, David E.

    1988-01-01

    Second- and third-order nonlinear optical properties of some newly synthesized organic molecules and polymers are reported. Powder second-harmonic-generation efficiencies of up to 200 times urea have been realized for asymmetric donor-acceptor acetylenes. Third harmonic generation chi(3)s have been determined for a series of small conjugated molecules in solution. THG chi(3)s have also been determined for a series of soluble conjugated copolymers prepared using ring-opening metathesis polymerization. The results are discussed in terms of relevant molecular and/or macroscopic structural features of these conjugated organic materials.

  1. A microstructure- and surface energy-dependent third-order shear deformation beam model

    NASA Astrophysics Data System (ADS)

    Gao, X.-L.; Zhang, G. Y.

    2015-08-01

    A new non-classical third-order shear deformation model is developed for Reddy-Levinson beams using a variational formulation based on Hamilton's principle. A modified couple stress theory and a surface elasticity theory are employed. The equations of motion and complete boundary conditions for the beam are obtained simultaneously. The new model contains a material length scale parameter to account for the microstructure effect and three surface elastic constants to describe the surface energy effect. Also, Poisson's effect is incorporated in the new beam model. The current non-classical model recovers the classical elasticity-based third-order shear deformation beam model as a special case when the microstructure, surface energy and Poisson's effects are all suppressed. In addition, the newly developed beam model includes the models considering the microstructure dependence or the surface energy effect alone as limiting cases and reduces to two existing models for Bernoulli-Euler and Timoshenko beams incorporating the microstructure and surface energy effects. To illustrate the new model, the static bending and free vibration problems of a simply supported beam loaded by a concentrated force are analytically solved by directly applying the general formulas derived. For the static bending problem, the numerical results reveal that both the deflection and rotation of the simply supported beam predicted by the current model are smaller than those predicted by the classical model. Also, it is observed that the differences in the deflection and rotation predicted by the two beam models are very large when the beam thickness is sufficiently small, but they are diminishing with the increase in the beam thickness. For the free vibration problem, it is found that the natural frequency predicted by the new model is higher than that predicted by the classical beam model, and the difference is significant for very thin beams. These predicted trends of the size effect at the

  2. A cobalt (II) complex with 6-methylpicolinate: Synthesis, characterization, second- and third-order nonlinear optical properties, and DFT calculations

    NASA Astrophysics Data System (ADS)

    Altürk, Sümeyye; Avcı, Davut; Tamer, Ömer; Atalay, Yusuf; Şahin, Onur

    2016-11-01

    A cobalt(II) complex of 6-methylpicolinic acid, [Co(6-Mepic)2(H2O)2]·2H2O, was prepared and fully determined by single crystal X-ray crystal structure analysis as well as FT-IR, FT-Raman. UV-vis spectra were recorded within different solvents, to illustrate electronic transitions and molecular charge transfer within complex 1. The coordination sphere of complex 1 is a distorted octahedron according to single crystal X-ray results. Moreover, DFT (density functional theory) calculations with HSEH1PBE/6-311 G(d,p) level were carried out to back up the experimental results, and form base for future work in advanced level. Hyperconjugative interactions, intramolecular charge transfer (ICT), molecular stability and bond strength were researched by the using natural bond orbital (NBO) analysis. X-ray and NBO analysis results demonsrate that O-H···O hydrogen bonds between the water molecules and carboxylate oxygen atoms form a 2D supramolecular network, and also adjacent 2D networks connected by C-H···π and π···π interactions to form a 3D supramolecular network. Additionally, the second- and third-order nonlinear optical parameters of complex 1 were computed at DFT/HSEH1PBE/6-311 G(d,p) level. The refractive index (n) was calculated by using the Lorentz-Lorenz equation in order to investigate polarization behavior of complex 1 in different solvent polarities. The first-order static hyperpolarizability (β) value is found to be lower than pNA value because of the inversion symmetry around Co (II). But the second-order static hyperpolarizability (γ) value is 2.45 times greater than pNA value (15×10-30 esu). According to these results, Co(II) complex can be considered as a candidate to NLO material. Lastly molecular electrostatic potential (MEP), frontier molecular orbital energies and related molecular parameters for complex 1 were evaluated.

  3. Molecular Statics Simulation of Hydrogen Defect Interaction in Tungsten

    NASA Astrophysics Data System (ADS)

    Li, Xiaochun; Liu, Yinan; Yu, Yi; Niu, Guojian; Luo, Guangnan; Shu, Xiaolin

    2015-06-01

    Hydrogen (H) defect interactions have been investigated by molecular statics simulations in tungsten (W), including H-H interactions and interactions between H and W self-interstitial atoms. The interactions between H and small H-vacancy clusters are also demonstrated; the binding energies of an H, a vacancy and a self-interstitial W to an H-vacancy cluster depend on the H-to-vacancy ratio. We conclude that H bubble formation needs a high concentration of H in W for the H bubble nucleation and growth, which are also governed by the H-to-vacancy ratio of the cluster. The vacancy first combines with H atoms and a cluster forms, then the H-vacancy cluster goes through the whole process of vacancy capture, H capture, and vacancy capture again, and as a result the H-vacancy cluster grows larger and larger. Finally, the H bubble forms. supported by National Natural Science Foundation of China (Nos. 51171008 and 11405201) and the National Magnetic Confinement Fusion Science Program of China (No. 2013GB1090)

  4. Quasi-static strain sensing using molecular spectroscopy

    NASA Astrophysics Data System (ADS)

    Lam, Timothy T.; Chow, Jong H.; Shaddock, Daniel A.; Littler, Ian C.; Gagliardi, Gianluca; Gray, Malcolm B.; McClelland, David E.

    2011-05-01

    Steady developments in cost and reliability in fiber optic sensors have seen an increase of their deployment in numerous monitoring and detection applications. In high-end applications, greater resolution is required, especially in systems where the environment is quiet, but the signal is weak. In order to meet these requirements the most dominant noise source, laser frequency noise, must be reduced. In this paper we present a quasi-static strain sensing referenced to a molecular frequency reference. A DFB CW diode laser is locked to a fiber Fabry-Perot sensor, transferring the detected signals onto the laser frequency and suppressing laser frequency noise. The laser frequency is then read off using an H13C14N absorption line. Phase modulation spectroscopy is used to both lock the laser to the sensor and read off the signals detected by the sensor. The technique is capable of resolving signals below 1 nanostrain from 20 mHz, reaching a white noise floor of 10 picostrain at several Hz.

  5. Interplay between Graph Topology and Correlations of Third Order in Spiking Neuronal Networks

    PubMed Central

    Jovanović, Stojan

    2016-01-01

    The study of processes evolving on networks has recently become a very popular research field, not only because of the rich mathematical theory that underpins it, but also because of its many possible applications, a number of them in the field of biology. Indeed, molecular signaling pathways, gene regulation, predator-prey interactions and the communication between neurons in the brain can be seen as examples of networks with complex dynamics. The properties of such dynamics depend largely on the topology of the underlying network graph. In this work, we want to answer the following question: Knowing network connectivity, what can be said about the level of third-order correlations that will characterize the network dynamics? We consider a linear point process as a model for pulse-coded, or spiking activity in a neuronal network. Using recent results from theory of such processes, we study third-order correlations between spike trains in such a system and explain which features of the network graph (i.e. which topological motifs) are responsible for their emergence. Comparing two different models of network topology—random networks of Erdős-Rényi type and networks with highly interconnected hubs—we find that, in random networks, the average measure of third-order correlations does not depend on the local connectivity properties, but rather on global parameters, such as the connection probability. This, however, ceases to be the case in networks with a geometric out-degree distribution, where topological specificities have a strong impact on average correlations. PMID:27271768

  6. Interplay between Graph Topology and Correlations of Third Order in Spiking Neuronal Networks.

    PubMed

    Jovanović, Stojan; Rotter, Stefan

    2016-06-01

    The study of processes evolving on networks has recently become a very popular research field, not only because of the rich mathematical theory that underpins it, but also because of its many possible applications, a number of them in the field of biology. Indeed, molecular signaling pathways, gene regulation, predator-prey interactions and the communication between neurons in the brain can be seen as examples of networks with complex dynamics. The properties of such dynamics depend largely on the topology of the underlying network graph. In this work, we want to answer the following question: Knowing network connectivity, what can be said about the level of third-order correlations that will characterize the network dynamics? We consider a linear point process as a model for pulse-coded, or spiking activity in a neuronal network. Using recent results from theory of such processes, we study third-order correlations between spike trains in such a system and explain which features of the network graph (i.e. which topological motifs) are responsible for their emergence. Comparing two different models of network topology-random networks of Erdős-Rényi type and networks with highly interconnected hubs-we find that, in random networks, the average measure of third-order correlations does not depend on the local connectivity properties, but rather on global parameters, such as the connection probability. This, however, ceases to be the case in networks with a geometric out-degree distribution, where topological specificities have a strong impact on average correlations.

  7. The third-order Lagrange equation for mechanical systems of variable mass

    NASA Astrophysics Data System (ADS)

    Ma, Shan-Jun; Ge, Wei-Guo; Huang, Pei-Tian

    2005-05-01

    In this paper, based on the third-order D'Alembert-Lagrange principle for mechanical systems of variable mass, the third-order Lagrange equations of mechanical systems of variable mass are obtained. From the equations the motion of mechanical systems of variable mass can be studied. In addition, the equations may enrich the theory of third-order differential equation.

  8. Engineering molecular mechanics: an efficient static high temperature molecular simulation technique.

    PubMed

    Subramaniyan, Arun K; Sun, C T

    2008-07-16

    Inspired by the need for an efficient molecular simulation technique, we have developed engineering molecular mechanics (EMM) as an alternative molecular simulation technique to model high temperature (T>0 K) phenomena. EMM simulations are significantly more computationally efficient than conventional techniques such as molecular dynamics simulations. The advantage of EMM is achieved by converting the dynamic atomistic system at high temperature (T>0 K) into an equivalent static system. Fundamentals of the EMM methodology are derived using thermal expansion to modify the interatomic potential. Temperature dependent interatomic potentials are developed to account for the temperature effect. The efficiency of EMM simulations is demonstrated by simulating the temperature dependence of elastic constants of copper and nickel and the thermal stress developed in a confined copper system.

  9. Studies on third-order nonlinear optical properties of chalcone derivatives in polymer host

    NASA Astrophysics Data System (ADS)

    Shettigar, Seetharam; Umesh, G.; Chandrasekharan, K.; Sarojini, B. K.; Narayana, B.

    2008-04-01

    In this paper we present the experimental study of the third-order nonlinear optical properties of two chalcone derivatives, viz., 1-(4-methoxyphenyl)-3-(4-butyloxyphenyl)-prop-2-en-1-one and 1-(4-methoxyphenyl)-3-(4-propyloxyphenyl)-prop-2-en-1-one in PMMA host, with the prospective of reaching a compromise between good processability and high nonlinear optical properties. The nonlinear optical properties have been investigated by Z-scan technique using 7 ns laser pulses at 532 nm. The nonlinear refractive index, nonlinear absorption coefficient, magnitude of third-order susceptibility and the coupling factor have been determined. The values obtained are of the order of 10 -14 cm 2/W, 1 cm/GW, 10 -13 esu and 0.2, respectively. The molecular second hyperpolarizability for the chalcone derivatives in polymer is of the order of 10 -31 esu. Different guest/host concentrations have also been studied. The results suggest that the nonlinear properties of the chalcones have been improved when they are used as dopants in polymer matrix. The nonlinear parameters obtained are comparable with the reported values of II-VI compound semiconductors. Hence, these chalcons are a promising class of nonlinear optical dopant materials for optical device applications.

  10. Synthesis and the third-order non-linear optical properties of new azobenzene-containing side-chain polymers

    NASA Astrophysics Data System (ADS)

    Li, Najun; Lu, Jianmei; Xu, Qingfeng; Wang, Lihua

    2006-09-01

    A new series of aromatic azobenzol compounds containing vinyl have been designed as monomers. The azobenzene-containing side-chain polymers containing azo NLO chromophore in each side chain have been synthesized via free radical polymerization. FT-IR, elemental analysis and 1H NMR were performed to characterize the azo monomers. The molecular weight of the polymers and their distribution were determined by gel permeation chromatography (GPC). The third-order NLO coefficient of azo monomers and their polymers were measured by degenerated four wave mixing (DFWM) technique. As a result, the enhancement of the molecular conjugation and the increase of the NLO chromophore concentration in the molecular chain contribute much to heightening the third-order NLO effect. The electronic effect of substituent on the azobenzol group and the push-pull electronic structure contributes much to enhancing the NLO property.

  11. A digital-to-analog conversion circuit using third-order polynomial interpolation

    NASA Technical Reports Server (NTRS)

    Dotson, W. P., Jr.; Wilson, J. H.

    1972-01-01

    Zero- and third-order digital-to-analog conversion techniques are described, and the theoretical error performances are compared. The design equations and procedures for constructing a third-order digital-to-analog converter by using analog design elements are presented. Both a zero- and a third-order digital-to-analog converter were built, and the performances are compared with various signal inputs.

  12. Highly efficient third-order optical nonlinearities and their frequency dependence in donor-substituted cyanoethynylethene molecules.

    NASA Astrophysics Data System (ADS)

    May, Joshua C.; Biaggio, Ivan; Michinobu, Tsuyoshi; Diederich, François

    2006-03-01

    We report on a new class of organic molecules with record efficiency for application in third-order nonlinear optics (NLO). The third-order polarizability, γ, of several donor-substituted cyanoethynylethene molecules was determined at the off-resonant wavelength of 1.5 microns using four-wave mixing. The nonlinearities were found to be extraordinarily large relative to the small molecular masses and were found to be within 50 times Kuzyk's fundamental limit, with 53x10-48 m^5V-2 as the highest γ value. Select molecules were further investigated at wavelengths on and surrounding their two-photon (TP) absorption peaks, revealing large TP cross sections and the resonant influence on the real and imaginary parts of γ. Several members of this molecular family can be vapor-deposited and are likely candidates for third-order NLO devices. When considering their small mass, the specific γ (γ per molecular mass) for this family (off resonance, at 1.5μm) is up to 6.5x10-23 m^5V-2Kg-1, approximately one order of magnitude larger than previously known large γ molecules. M. G. Kuzyk, Opt. Lett. 25, 1218 (2000) J. C. May et al, Opt. Lett. 30, 3057 (2005)

  13. Phase-dependent ultrafast third-order optical nonlinearities in metallophthalocyanine thin films

    NASA Astrophysics Data System (ADS)

    Kumar, Samir; Anil Kumar, K. V.; Dharmaprakash, S. M.; Das, Ritwick

    2016-09-01

    We present a comprehensive study on the impact of phase transformations of metallophthalocyanine thin films on their third-order nonlinear optical (NLO) properties. The metallophthalocyanine thin films are prepared by thermally evaporating the commercially available Copper(II)2,9,16,23-Tetra-tert-butyl-29H,31H-phthalocyanine (CuPc) and Zinc(II) 2,9,16,23-Tetra-tert-butyl-29H,31H-phthalocyanine (ZnPc) powder on glass substrate. Thermal annealing causes a phase transformation which has a distinct signature in powder X-ray diffraction and UV-Vis-NIR spectroscopy. The NLO characteristics which include nonlinear refractive index n2, as well as nonlinear absorption coefficient (βeff), were measured by using a single beam Z-scan technique. An ultrashort pulsed fiber laser emitting femtosecond pulses (Δτ ≈ 250 fs) at 1064 nm central wavelength is used as a source for the Z-scan experiment. The βeff values in as prepared thin films were ascertained to be smaller as compared to the annealed one due to the smaller value of saturation intensity (Is) which, in turn, is a consequence of ground-state bleaching in the thermally unstable amorphous state of the molecule. Interestingly, the nonlinear refractive indices bear opposite sign for CuPc and ZnPc. The variations in the third-order nonlinearity in CuPc and ZnPc are discussed in terms of molecular packing and geometries of metallophthalocyanine molecules.

  14. Theoretical study on the third-order nonlinear optical properties and structural characterization of 3-Acetyl-6-Bromocoumarin

    NASA Astrophysics Data System (ADS)

    Castro, Adailton N.; Almeida, Leonardo R.; Anjos, Murilo M.; Oliveira, Guilherme R.; Napolitano, Hamilton B.; Valverde, Clodoaldo; Baseia, Basílio

    2016-06-01

    Coumarin derivatives exist widely in nature and show a wide range of biological activities such as anti-inflammatory, anti-oxidative and anti-cancer. The structure of C11H7BrO3 has been redetermined using 3330 measured reflections with 1666 unique [Rint = 0.0088] with final indices R1 = 0.0128 [I > 2σ(I)] and wR2 = 0.0347 (all data). The bromocoumarin molecule is almost planar and has three planar dimers stabilized by interaction of type Csbnd H⋯Br and Csbnd H⋯O, which form parallel layers connected via several π-π interactions [centroid-centroid distances = 3.958(1) Å]. To provide a view of the non-linear optical behavior of third order of the crystal bromocoumarin in both cases static and dynamic, we calculate the linear polarizability (α) and the second hyperpolarizability (γ) using a new supermolecule approach combined with an iterative electrostatic scheme where the neighboring molecules are represented by point charges. The results of calculations of the HOMO and LUMO energies show the occurrence of charge transfer inside the molecule. The computational results of the second (static and dynamics) hyperpolarizabilities show the molecule exhibiting second hyperpolarizability with values different of zero, which implies a third order microscopic behavior.

  15. Third-order optical nonlinearity of conjugated poly(4,4-disubstituted-1,6-heptadiyne)s

    NASA Astrophysics Data System (ADS)

    Park, Soo Young; Cho, Hyun-Nam; Kim, Nakjoong; Park, Jong-Wook; Jin, Sung-Ho; Choi, Sam-Kwon; Wada, Tatsuo; Sasabe, Hiroyuki

    1994-07-01

    Large third-order optical nonlinearity was found with the soluble conjugated polymers (substituted polyacetylenes) synthesized by the ring-forming metathesis polymerization of 4,4-disubstituted-1,6-heptadiynes. These polymers were of quite high molecular weight (˜105) and were highly soluble in common organic solvents. The linear optical property and the third-order optical nonlinearity of these polymers were investigated in terms of the chemical structure of the 4,4-disubstituents using the polymer films of around 100-nm thickness fabricated by the spin coating of tetrahydrofuran solutions. The π-π* transition of the conjugated π-electron main chain was characterized as the strong absorption peak at around 540 nm of the electronic spectra, where the optical density of the transition was found to be largely dependent on the molar volume of the substituents. The near-resonant values of the third-order nonlinear optical coefficient, χ(3)(-3ω;ω,ω,ω) were found to be 2.6 to 6.5×10-11 esu, which also were controlled by the molar volume of the substituent group.

  16. Z-scan: A simple technique for determination of third-order optical nonlinearity

    SciTech Connect

    Singh, Vijender; Aghamkar, Praveen

    2015-08-28

    Z-scan is a simple experimental technique to measure intensity dependent nonlinear susceptibilities of third-order nonlinear optical materials. This technique is used to measure the sign and magnitude of both real and imaginary part of the third order nonlinear susceptibility (χ{sup (3)}) of nonlinear optical materials. In this paper, we investigate third-order nonlinear optical properties of Ag-polymer composite film by using single beam z-scan technique with Q-switched, frequency doubled Nd: YAG laser (λ=532 nm) at 5 ns pulse. The values of nonlinear absorption coefficient (β), nonlinear refractive index (n{sub 2}) and third-order nonlinear optical susceptibility (χ{sup (3)}) of permethylazine were found to be 9.64 × 10{sup −7} cm/W, 8.55 × 10{sup −12} cm{sup 2}/W and 5.48 × 10{sup −10} esu, respectively.

  17. Role of intensity fluctuations in third-order correlation double-slit interference of thermal light.

    PubMed

    Chen, Xi-Hao; Chen, Wen; Meng, Shao-Ying; Wu, Wei; Wu, Ling-An; Zhai, Guang-Jie

    2013-07-01

    A third-order double-slit interference experiment with a pseudothermal light source in the high-intensity limit has been performed by actually recording the intensities in three optical paths. It is shown that not only can the visibility be dramatically enhanced compared to the second-order case as previously theoretically predicted and shown experimentally, but also that the higher visibility is a consequence of the contribution of third-order correlation interaction terms, which is equal to the sum of all contributions from second-order correlation. It is interesting that, when the two reference detectors are scanned in opposite directions, negative values for the third-order correlation term of the intensity fluctuations may appear. The phenomenon can be completely explained by the theory of classical statistical optics and is the first concrete demonstration of the influence of the third-order correlation terms.

  18. The actual scaling of a nominally third-order Reynolds stress

    NASA Astrophysics Data System (ADS)

    Krommes, J. A.; Hammett, G. W.

    2014-05-01

    It is shown that a particular higher-order Reynolds stress arising from a term in the third-order gyrokinetic Hamiltonian is smaller than it nominally appears to be. However, it does not follow that all third-order terms are unimportant. The discussion is relevant to the ongoing debate about the importance of higher-order terms in the gyrokinetic theory of momentum transport.

  19. Second- and third-order elastic coefficients in polycrystalline aluminum alloy AMg6

    NASA Astrophysics Data System (ADS)

    Volkov, A. D.; Kokshaiskii, A. I.; Korobov, A. I.; Prokhorov, V. M.

    2015-11-01

    All independent second- and third-order elastic coefficients were measured in the isotropic polycrystalline aluminum alloy AMg6 (Al-Mg-Mn system) using the Ritec RAM-5000 SNAP SYSTEM ultrasonic automated complex operating in the pulsed mode. The third-order elastic coefficients were determined using the Thurston-Bragger method from the experimentally measured velocity of shear and longitudinal elastic waves in AMg6 alloy as a function of uniaxial compression.

  20. Third-order many-body perturbation theory calculations for the beryllium and magnesium isoelectronic sequences

    NASA Astrophysics Data System (ADS)

    Ho, H. C.; Johnson, W. R.; Blundell, S. A.; Safronova, M. S.

    2006-08-01

    Third-order relativistic many-body perturbation theory (MBPT) is applied to obtain energies of ions with two valence electrons in the no virtual-pair approximation (NVPA). A total of 302 third-order Goldstone diagrams are organized into 12 one-body and 23 two-body terms. Only third-order two-body terms and diagrams are presented in this paper, owing to the fact that the one-body terms are identical to the previously studied third-order terms in monovalent ions. Dominant classes of diagrams are identified. The model potential is the Dirac-Hartree-Fock potential VN-2 , and B -spline basis functions in a cavity of finite radius are employed in the numerical calculations. The Breit interaction is taken into account through the second order of perturbation theory, and the lowest-order Lamb shift is also evaluated. Sample calculations are performed for berylliumlike ions with Z=4-7 , and for the magnesiumlike ion PIV . The third-order excitation energies are in excellent agreement with measurement with an accuracy at 0.2% level for the cases considered. Comparisons are made with second-order MBPT results, and with other calculations. The third-order energy correction is shown to be significant, improving the previous second-order calculations by an order of magnitude.

  1. ATOMIC AND MOLECULAR PHYSICS: Static dipole polarizabilities of Scn (n <= 15) clusters

    NASA Astrophysics Data System (ADS)

    Li, Xi-Bo; Wang, Hong-Yan; Luo, Jiang-Shan; Guo, Yun-Dong; Wu, Wei-Dong; Tang, Yong-Jian

    2009-08-01

    The static dipole polarizabilities of scandium clusters with up to 15 atoms are determined by using the numerically finite field method in the framework of density functional theory. The electronic effects on the polarizabilities are investigated for the scandium clusters. We examine a large highest occupied molecular orbital — the lowest occupied molecular orbital (HOMO-LUMO) gap of a scandium cluster usually corresponds to a large dipole moment. The static polarizability per atom decreases slowly and exhibits local minimum with increasing cluster size. The polarizability anisotropy and the ratio of mean static polarizability to the HOMO-LUMO gap can also reflect the cluster stability. The polarizability of the scandium cluster is partially related to the HOMO-LUMO gap and is also dependent on geometrical characteristics. A strong correlation between the polarizability and ionization energy is observed.

  2. Using Static and Dynamic Visuals to Represent Chemical Change at Molecular Level

    ERIC Educational Resources Information Center

    Ardac, Dilek; Akaygun, Sevil

    2005-01-01

    The study examines the effectiveness of visually enhanced instruction that emphasizes molecular representations. Instructional conditions were specified in terms of the visual elaboration level (static and dynamic) and the presentation mode (whole class and individual). Fifty-two eighth graders (age range 14-15 years) participated in one of the…

  3. Evaluation of third-order elastic constants using laser-generated multi-type ultrasound for isotropic materials.

    PubMed

    Dong, Li-Ming; Lomonosov, Alexey M; Shen, Zhong-Hua; Li, Jia; Ni, Chen-Yin; Ni, Xiao-Wu

    2013-08-01

    Within the linear elasticity approximation the speed of a small-amplitude sound in conventional linear elasticity is determined only by the second order elastic (SOE) constants and the density of the medium. Subjecting the conveying solid to a static strain of a sufficient magnitude introduces the third-order elastic (TOE) constants in the equation of the sound speed. In this work we applied a homogeneous isotropic deformation caused by a thermal expansion of an aluminum alloy sample. Velocities of three acoustic modes: longitudinal, shear and Rayleigh waves were measured as functions of temperature within a range of 25-100 °C. Two TOE constants C111 and C112 were evaluated in an assumption that the third independent module C144 is far smaller than the former two. PMID:23522685

  4. Third-order nonlinear optical properties of sulfur-rich compounds

    SciTech Connect

    Breitzer, J.G.; Dlott, D.D.; Iwaki, L.K.; Kirkpatrick, S.M.; Rauchfuss, T.B.

    1999-09-02

    The molecular third-order optical nonlinearity {gamma}{sub R} (second hyperpolarizability or nonlinear refractive index) was measured for a series of sulfur-rich molecules: sulfur (S{sub 8}), carbon-sulfur compounds, and metal thiolate clusters. Z-scan techniques (pulse width 27 ps, wavelength 527 nm) were used to measure these properties in solution by comparing the solution to the pure solvent. The authors approach is an efficient way to evaluate a number of different compounds and to quickly direct synthetic strategies for improved nonlinear and linear optical properties. The optical nonlinearities were evaluated in terms of figures of merit {vert{underscore}bar}W{vert{underscore}bar}/I{sub 0} and [T]{sup {minus}1}, where {vert{underscore}bar}W{vert{underscore}bar}/I{sub 0} is the ratio of nonlinear refraction to linear absorption and [T]{sup {minus}1} is the ratio of nonlinear refraction to nonlinear absorption. Among the carbon-sulfur compounds, C{sub 6}S{sub 8}O{sub 2} had the largest figures of merit: {vert{underscore}bar}W{vert{underscore}bar}/I{sub 0} = 4.3 x 10{sup {minus}13} m{sup 2} W{sup {minus}1} and [T]{sup {minus}1} > 5. The metal thiolate cluster with the largest second hyperpolarizability was [Zn{sub 10}S{sub 4}(SPh){sub 16}]{sup 4{minus}} ({gamma}{sub R} = {minus}7.8 x 10{sup {minus}56} C m{sup 4} V{sup {minus}3}, {minus}6.3 x 10{sup {minus}31} esu). This cluster exhibited no measurable linear or nonlinear absorption, so the figures of merit were effectively infinite. Previous work on the second hyperpolarizability of sulfur-rich compounds examined species that were hampered by substantial linear absorption coefficients. The present work shows that high figures of merit can be achieved without significant linear or nonlinear absorption.

  5. Solving nonlinear system of third-order boundary value problems using block method

    NASA Astrophysics Data System (ADS)

    See, Phang Pei; Majid, Zanariah Abdul; Suleiman, Mohamed; Ismail, Fudziah Bt; Othman, Khairil Iskandar

    2015-05-01

    In this paper, we propose an algorithm of two-point block method to solve the nonlinear system of third-order boundary value problems directly. The proposed method is presented in a simple form of Adams type and two approximate solutions will be obtained simultaneously with the block method using variable step size strategy. The method will be implemented with the multiple shooting technique via the three-step iterative method to generate the missing initial value. Most of the existence method will reduce the third-order boundary value problems to a system of first order equations where the systems of six equations need to be solved. The method we proposed in this paper will solve the third-order boundary value problems directly. Two numerical examples are given to illustrate the efficiency of the proposed method.

  6. Instability of black strings in the third-order Lovelock theory

    NASA Astrophysics Data System (ADS)

    Giacomini, Alex; Henríquez-Báez, Carla; Lagos, Marcela; Oliva, Julio; Vera, Aldo

    2016-05-01

    We show that homogeneous black strings of third-order Lovelock theory are unstable under s-wave perturbations. This analysis is done in dimension D =9 , which is the lowest dimension that allows the existence of homogeneous black strings in a theory that contains only the third-order Lovelock term in the Lagrangian. As is the case in general relativity, the instability is produced by long wavelength perturbations and it stands for the perturbative counterpart of a thermal instability. We also provide a comparative analysis of the instabilities of black strings at a fixed radius in general relativity, Gauss-Bonnet, and third-order Lovelock theories. We show that the minimum critical wavelength that triggers the instability grows with the power of the curvature defined in the Lagrangian. The maximum exponential growth during the time of the perturbation is the largest in general relativity and it decreases with the number of curvatures involved in the Lagrangian.

  7. Third-order terahertz response of gapped, nearly-metallic armchair graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Wang, Yichao; Andersen, David R.

    2016-11-01

    We use time dependent perturbation theory to study the terahertz nonlinear response of gapped intrinsic and extrinsic nearly-metallic armchair graphene nanoribbons of finite length under an applied electric field. Generally, the nonlinear conductances exhibit contributions due to single-photon, two-photon, and three-photon processes. The interference between each of these processes results in remarkably complex behavior for the third-order conductances, including quantum dot signatures that should be measurable with a relatively simple experimental configuration. Notably, we observe sharp resonances in the isotropic third-order response due to the Van Hove singularities in the density of states at one-, two-, and three-photon resonances. However, these resonances are absent in the anisotropic third-order response; a result of the overall symmetry of the system.

  8. Third-order terahertz response of gapped, nearly-metallic armchair graphene nanoribbons.

    PubMed

    Wang, Yichao; Andersen, David R

    2016-11-30

    We use time dependent perturbation theory to study the terahertz nonlinear response of gapped intrinsic and extrinsic nearly-metallic armchair graphene nanoribbons of finite length under an applied electric field. Generally, the nonlinear conductances exhibit contributions due to single-photon, two-photon, and three-photon processes. The interference between each of these processes results in remarkably complex behavior for the third-order conductances, including quantum dot signatures that should be measurable with a relatively simple experimental configuration. Notably, we observe sharp resonances in the isotropic third-order response due to the Van Hove singularities in the density of states at one-, two-, and three-photon resonances. However, these resonances are absent in the anisotropic third-order response; a result of the overall symmetry of the system. PMID:27633050

  9. Third order nonlinear optical response exhibited by mono- and few-layers of WS2

    DOE PAGES

    Torres-Torres, Carlos; Perea-López, Néstor; Elías, Ana Laura; Gutiérrez, Humberto R.; Cullen, David A.; Berkdemir, Ayse; López-Urías, Florentino; Terrones, Humberto; Terrones, Mauricio

    2016-04-13

    In this work, strong third order nonlinear optical properties exhibited by WS2 layers are presented. Optical Kerr effect was identified as the dominant physical mechanism responsible for these third order optical nonlinearities. An extraordinary nonlinear refractive index together with an important contribution of a saturated absorptive response was observed to depend on the atomic layer stacking. Comparative experiments performed in mono- and few-layer samples of WS2 revealed that this material is potentially capable of modulating nonlinear optical processes by selective near resonant induced birefringence. In conclusion, we envision applications for developing all-optical bidimensional nonlinear optical devices.

  10. Multipartitioning Møller-Plesset perturbation theory: Size-extensivity at third order and symmetry conservation

    NASA Astrophysics Data System (ADS)

    Rolik, Zoltán; Szabados, Ágnes

    Multipartitioning multireference many-body perturbation theory (Zaitevskii and Malrieu, Chem. Phys. Lett. 1995, 233, 597) is investigated with regard to symmetry and size-extensivity. We show that the spin-adapted formulation suffers from spatial symmetry breaking and propose a general symmetry-conserving zero-order Hamiltonian. We analyze size-extensivity of various partitionings at the third order and find that extensivity holds if one-particle quantities in the zero-order Hamiltonian are properly chosen. In particular, third order of the spin-adapted and general symmetry-adapted theory prove to be extensive.

  11. Enhanced Spontaneous Emission at Third-Order Dirac Exceptional Points in Inverse-Designed Photonic Crystals.

    PubMed

    Lin, Zin; Pick, Adi; Lončar, Marko; Rodriguez, Alejandro W

    2016-09-01

    We formulate and exploit a computational inverse-design method based on topology optimization to demonstrate photonic crystal structures supporting complex spectral degeneracies. In particular, we discover photonic crystals exhibiting third-order Dirac points formed by the accidental degeneracy of monopolar, dipolar, and quadrupolar modes. We show that, under suitable conditions, these modes can coalesce and form a third-order exceptional point, leading to strong modifications in the spontaneous emission (SE) of emitters, related to the local density of states. We find that SE can be enhanced by a factor of 8 in passive structures, with larger enhancements ∼sqrt[n^{3}] possible at exceptional points of higher order n.

  12. A note on the nonlocal boundary value problem for a third order partial differential equation

    NASA Astrophysics Data System (ADS)

    Belakroum, Kheireddine; Ashyralyev, Allaberen; Guezane-Lakoud, Assia

    2016-08-01

    The nonlocal boundary-value problem for a third order partial differential equation d/3u (t ) d t3 +A d/u (t ) d t =f (t ), 0 third order partial differential equations are obtained.

  13. Cascaded second-order contribution to the third-order nonlinear susceptibility

    NASA Astrophysics Data System (ADS)

    Kolleck, Christian

    2004-05-01

    Cascading of second-order nonlinear effects leads to an effective third-order nonlinearity. In addition to the macroscopic electric field at the intermediate frequencies another term has to be taken into account which is due to the locality of the intermediate polarization sources. Combining the correction terms at the three intermediate frequencies gives rise to a third-order susceptibility tensor, which exhibits the same symmetry properties as an intrinsic susceptibility. This particularly applies to the contributions from the rectified and the second-harmonic fields to the degenerate susceptibility.

  14. Enhanced Spontaneous Emission at Third-Order Dirac Exceptional Points in Inverse-Designed Photonic Crystals

    NASA Astrophysics Data System (ADS)

    Lin, Zin; Pick, Adi; Lončar, Marko; Rodriguez, Alejandro W.

    2016-09-01

    We formulate and exploit a computational inverse-design method based on topology optimization to demonstrate photonic crystal structures supporting complex spectral degeneracies. In particular, we discover photonic crystals exhibiting third-order Dirac points formed by the accidental degeneracy of monopolar, dipolar, and quadrupolar modes. We show that, under suitable conditions, these modes can coalesce and form a third-order exceptional point, leading to strong modifications in the spontaneous emission (SE) of emitters, related to the local density of states. We find that SE can be enhanced by a factor of 8 in passive structures, with larger enhancements ˜√{n3} possible at exceptional points of higher order n .

  15. Third order nonlinear optical response exhibited by mono- and few-layers of WS2

    NASA Astrophysics Data System (ADS)

    Torres-Torres, Carlos; Perea-López, Néstor; Elías, Ana Laura; Gutiérrez, Humberto R.; Cullen, David A.; Berkdemir, Ayse; López-Urías, Florentino; Terrones, Humberto; Terrones, Mauricio

    2016-06-01

    In this work, strong third order nonlinear optical properties exhibited by WS2 layers are presented. Optical Kerr effect was identified as the dominant physical mechanism responsible for these third order optical nonlinearities. An extraordinary nonlinear refractive index together with an important contribution of a saturated absorptive response was observed to depend on the atomic layer stacking. Comparative experiments performed in mono- and few-layer samples of WS2 revealed that this material is potentially capable of modulating nonlinear optical processes by selective near resonant induced birefringence. We envision applications for developing all-optical bidimensional nonlinear optical devices.

  16. A molecular picture: How composition influences the dynamic and static properties in a polyolefin blend, as observed with molecular simulation

    NASA Astrophysics Data System (ADS)

    May, Andrew

    2005-03-01

    We use molecular dynamics simulation to investigate dynamic and static properties in a blend of poly(ethylene-propylene) [PEP] and poly(ethylene-butene) [PEB]: this is a simple model for blend dynamics because the mixture behaves athermally and each component has similar pure packing characteristics and glass transition temperatures. The use of simulation allows us to examine a full spectrum of compositions, ranging from the dilute (single chain) to concentrated limits (all but one chain). As composition is varied, mobility is observed through the self-intermediate scattering function, while the pair distribution function and local concentrations are used to examine static features. Attention is given to both average values and the distribution within the average. Despite the simplicity of this system, the influence of composition varies between the two components, most noticeable in the dilute region. Molecular packing and concentrations on a local length scale are investigated as a possible source for this variation.

  17. Second-order cascading in third-order nonlinear optical processes

    NASA Astrophysics Data System (ADS)

    Meredith, Gerald R.

    1982-12-01

    Because cascaded second-order processes make substantial qualitative and quanitative differences to the results of third-order nonlinear optical experiments, a formalism for their treatment is presented. The symmetry dictates concerning the occurrence and relationships of magnitudes of cascading are tabulated for the higher symmetry crystal classes. Angular momentum considerations are applied to the situations allowing circularly polarized light waves.

  18. β-Octakis(methylthio)porphycenes: synthesis, characterisation and third order nonlinear optical studies.

    PubMed

    Rana, Anup; Lee, Sangsu; Kim, Dongho; Panda, Pradeepta K

    2015-05-01

    A novel electron deficient β-octakis(methylthio)porphycene, along with its Zn(ii) and Ni(ii) derivatives, was synthesized for the first time. The macrocyclic structure exhibits core ruffling with a largely red shifted absorption band (∼750 nm) and also a large enhancement in the third order nonlinear optical response.

  19. Effects of focusing on third-order nonlinear processes in isotropic media. [laser beam interactions

    NASA Technical Reports Server (NTRS)

    Bjorklund, G. C.

    1975-01-01

    Third-order nonlinear processes in isotropic media have been successfully used for tripling the efficiency of high-power laser radiation for the production of tunable and fixed-frequency coherent vacuum UV radiation and for up-conversion of IR radiation. The effects of focusing on two processes of this type are studied theoretically and experimentally.

  20. Measuring the growth of matter fluctuations with third-order galaxy correlations

    NASA Astrophysics Data System (ADS)

    Hoffmann, K.; Bel, J.; Gaztañaga, E.; Crocce, M.; Fosalba, P.; Castander, F. J.

    2015-02-01

    Measurements of the linear growth factor D at different redshifts z are key to distinguish among cosmological models. One can estimate the derivative dD(z)/dln (1 + z) from redshift space measurements of the 3D anisotropic galaxy two-point correlation ξ(z), but the degeneracy of its transverse (or projected) component with galaxy bias b, i.e. ξ⊥(z) ∝ D2(z)b2(z), introduces large errors in the growth measurement. Here, we present a comparison between two methods which breaks this degeneracy by combining second- and third-order statistics. One uses the shape of the reduced three-point correlation and the other a combination of third-order one- and two-point cumulants. These methods use the fact that, for Gaussian initial conditions and scales larger than 20 h-1 Mpc, the reduced third-order matter correlations are independent of redshift (and therefore of the growth factor), while the third-order galaxy correlations depend on b. We use matter and halo catalogues from the MICE-GC simulation to test how well we can recover b(z) and therefore D(z) with these methods in 3D real space. We also present a new approach, which enables us to measure D directly from the redshift evolution of the second- and third-order galaxy correlations without the need of modelling matter correlations. For haloes with masses lower than 1014 h-1 M⊙, we find 10 per cent deviations between the different estimates of D, which are comparable to current observational errors. At higher masses, we find larger differences that can probably be attributed to the breakdown of the bias model and non-Poissonian shot noise.

  1. Application of Near-IR Absorption Porphyrin Dyes Derived from Click Chemistry as Third-Order Nonlinear Optical Materials.

    PubMed

    Mi, Yongsheng; Liang, Pengxia; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli; Yang, Huai; Yu, Lian

    2016-02-01

    Recently, third-order nonlinear properties of porphyrins and porphyrin polymers and coordination compounds have been extensively studied in relation to their use in photomedicine and molecular photonics. A new functionalized porphyrin dye containing electron-rich alkynes was synthesized and further modified by formal [2+2] click reactions with click reagents tetracyanoethylene (TCNE) and 7, 7, 8, 8-tetracyanoquinodimethane (TCNQ). The photophysical properties of these porphyrin dyes, as well as the click reaction, were studied by UV/Vis spectroscopy. In particular, third-order nonlinear optical properties of the dyes, which showed typical d-π-A structures, were characterized by Z-scan techniques. In addition, the self-assembly properties were investigated through the phase-exchange method, and highly organized morphologies were observed by scanning electron microscopy (SEM). The effects of the click post-functionalization on the properties of the porphyrins were studied, and these functionalized porphyrin dyes represent an interesting set of candidates for optoelectronic device components.

  2. General dispersion formulas for molecular third-order nonlinear optical properties

    NASA Astrophysics Data System (ADS)

    Bishop, David M.

    1989-03-01

    For the electronic optical hyperpolarizabilities for molecules γω∥=γZZZZ(-ωσ;ω1, ω2,ω3) and γω⊥=γZXXZ(-ωσ;ω1, ω2,ω3), where Z and X are laboratory axes and ωσ=ω1+ω2+ω3, it is demonstrated that the following relationships exist: (1) γω∥/γ0∥ =1+Aω2L+ṡṡṡ, where ω2L=ω2σ+ ω21+ω22+ω23 and A is frequency independent; (2) γω⊥/γ0⊥=1+Bω2L+ ṡṡṡ, where B=p+qa and p and q are frequency independent and a=(ωσω3-ω1ω2)/ω2L ; (3) (1)/(3) (γω∥/γω⊥)=1+Cω2L +ṡṡṡ, where C=r(1-6a) and r is frequency independent. In particular, for the four nonlinear optical processes: Kerr (K), degenerate four-wave mixing (D), electric-field-induced second-harmonic generation (E), and third-harmonic generation (T), the ratios (in the same order) are for B, 1:(1+k/2):(1+k/3):(1+k/6) (where k is frequency independent) and for C, 1:(-2):(-1):0.

  3. Prediction of static contact angles on the basis of molecular forces and adsorption data.

    PubMed

    Diaz, M Elena; Savage, Michael D; Cerro, Ramon L

    2016-08-01

    At a three-phase contact line, a liquid bulk phase is in contact with and coexists with a very thin layer of adsorbed molecules. This adsorbed film in the immediate vicinity of a liquid wedge modifies the balance of forces between the liquid and solid phases such that, when included in the balance of forces, a quantitative relationship emerges between the adsorbed film thickness and the static contact angle. This relationship permits the prediction of static contact angles from molecular forces and equilibrium adsorption data by means of quantities that are physically meaningful and measurable. For n-alkanes on polytetrafluoroethylene, for which there are experimental data available on adsorption and contact angles, our computations show remarkable agreement with the data. The results obtained are an improvement on previously published calculations-particularly for alkanes with a low number of carbon atoms, for which adsorption is significant. PMID:27627371

  4. On the dynamic and static manifestation of molecular absorption in thin films probed by a microcantilever

    SciTech Connect

    Finot, Eric; Fabre, Arnaud; Passian, Ali; Thundat, Thomas

    2014-03-01

    Mechanical resonators shaped like microcantilevers have been demonstrated as a platform for very sensitive detection of chemical and biological analytes. However, its use as an analytical tool will require fundamental understanding of the molecular absorption-induced effects in the static and dynamic sensor response. The effect of absorption-induced surface stress on the microcantilever response is here investigated using palladium hydride formation. It is shown that the resonance and deformation states of the cantilever monitored simultaneously exhibit excellent correlation with the phase of the hydride formation. However, the associated frequency shifts and quasistatic bending are observed to be independent during solid solution phase. Importantly, absorption-induced changes in the elastic parameters of the palladium film are found to play a dominant role in the static and dynamic response. The presented results help in discerning the parameters that control the cantilever response as well as the relationships between these parameters.

  5. Prediction of static contact angles on the basis of molecular forces and adsorption data

    NASA Astrophysics Data System (ADS)

    Diaz, M. Elena; Savage, Michael D.; Cerro, Ramon L.

    2016-08-01

    At a three-phase contact line, a liquid bulk phase is in contact with and coexists with a very thin layer of adsorbed molecules. This adsorbed film in the immediate vicinity of a liquid wedge modifies the balance of forces between the liquid and solid phases such that, when included in the balance of forces, a quantitative relationship emerges between the adsorbed film thickness and the static contact angle. This relationship permits the prediction of static contact angles from molecular forces and equilibrium adsorption data by means of quantities that are physically meaningful and measurable. For n-alkanes on polytetrafluoroethylene, for which there are experimental data available on adsorption and contact angles, our computations show remarkable agreement with the data. The results obtained are an improvement on previously published calculations—particularly for alkanes with a low number of carbon atoms, for which adsorption is significant.

  6. Prediction of static contact angles on the basis of molecular forces and adsorption data.

    PubMed

    Diaz, M Elena; Savage, Michael D; Cerro, Ramon L

    2016-08-01

    At a three-phase contact line, a liquid bulk phase is in contact with and coexists with a very thin layer of adsorbed molecules. This adsorbed film in the immediate vicinity of a liquid wedge modifies the balance of forces between the liquid and solid phases such that, when included in the balance of forces, a quantitative relationship emerges between the adsorbed film thickness and the static contact angle. This relationship permits the prediction of static contact angles from molecular forces and equilibrium adsorption data by means of quantities that are physically meaningful and measurable. For n-alkanes on polytetrafluoroethylene, for which there are experimental data available on adsorption and contact angles, our computations show remarkable agreement with the data. The results obtained are an improvement on previously published calculations-particularly for alkanes with a low number of carbon atoms, for which adsorption is significant.

  7. Third-order thermo-mechanical properties for packs of Platonic solids using statistical micromechanics

    PubMed Central

    Gillman, A.; Amadio, G.; Matouš, K.; Jackson, T. L.

    2015-01-01

    Obtaining an accurate higher order statistical description of heterogeneous materials and using this information to predict effective material behaviour with high fidelity has remained an outstanding problem for many years. In a recent letter, Gillman & Matouš (2014 Phys. Lett. A 378, 3070–3073. ()) accurately evaluated the three-point microstructural parameter that arises in third-order theories and predicted with high accuracy the effective thermal conductivity of highly packed material systems. Expanding this work here, we predict for the first time effective thermo-mechanical properties of granular Platonic solid packs using third-order statistical micromechanics. Systems of impenetrable and penetrable spheres are considered to verify adaptive methods for computing n-point probability functions directly from three-dimensional microstructures, and excellent agreement is shown with simulation. Moreover, a significant shape effect is discovered for the effective thermal conductivity of highly packed composites, whereas a moderate shape effect is exhibited for the elastic constants. PMID:27547103

  8. Enhanced Spontaneous Emission at Third-Order Dirac Exceptional Points in Inverse-Designed Photonic Crystals.

    PubMed

    Lin, Zin; Pick, Adi; Lončar, Marko; Rodriguez, Alejandro W

    2016-09-01

    We formulate and exploit a computational inverse-design method based on topology optimization to demonstrate photonic crystal structures supporting complex spectral degeneracies. In particular, we discover photonic crystals exhibiting third-order Dirac points formed by the accidental degeneracy of monopolar, dipolar, and quadrupolar modes. We show that, under suitable conditions, these modes can coalesce and form a third-order exceptional point, leading to strong modifications in the spontaneous emission (SE) of emitters, related to the local density of states. We find that SE can be enhanced by a factor of 8 in passive structures, with larger enhancements ∼sqrt[n^{3}] possible at exceptional points of higher order n. PMID:27636493

  9. A third-order multistep time discretization for a Chebyshev tau spectral method

    NASA Astrophysics Data System (ADS)

    Vreman, A. W.; Kuerten, J. G. M.

    2016-01-01

    A time discretization scheme based on the third-order backward difference formula has been embedded into a Chebyshev tau spectral method for the Navier-Stokes equations. The time discretization is a variant of the second-order backward scheme proposed by Krasnov et al. (2008) [3]. High-resolution direct numerical simulations of turbulent incompressible channel flow have been performed to compare the backward scheme to the Runge-Kutta scheme proposed by Spalart et al. (1991) [2]. It is shown that the Runge-Kutta scheme leads to a poor convergence of some third-order spatial derivatives in the direct vicinity of the wall, derivatives that represent the diffusion of wall-tangential vorticity. The convergence at the wall is shown to be significantly improved if the backward scheme is applied.

  10. The determination of third order linear models from a seventh order nonlinear jet engine model

    NASA Technical Reports Server (NTRS)

    Lalonde, Rick J.; Hartley, Tom T.; De Abreu-Garcia, J. Alex

    1989-01-01

    Results are presented that demonstrate how good reduced-order models can be obtained directly by recursive parameter identification using input/output (I/O) data of high-order nonlinear systems. Three different methods of obtaining a third-order linear model from a seventh-order nonlinear turbojet engine model are compared. The first method is to obtain a linear model from the original model and then reduce the linear model by standard reduction techniques such as residualization and balancing. The second method is to identify directly a third-order linear model by recursive least-squares parameter estimation using I/O data of the original model. The third method is to obtain a reduced-order model from the original model and then linearize the reduced model. Frequency responses are used as the performance measure to evaluate the reduced models. The reduced-order models along with their Bode plots are presented for comparison purposes.

  11. Modeling and simulation of continuous wave velocity radar based on third-order DPLL

    NASA Astrophysics Data System (ADS)

    Di, Yan; Zhu, Chen; Hong, Ma

    2015-02-01

    Second-order digital phase-locked-loop (DPLL) is widely used in traditional Continuous wave (CW) velocity radar with poor performance in high dynamic conditions. Using the third-order DPLL can improve the performance. Firstly, the echo signal model of CW radar is given. Secondly, theoretical derivations of the tracking performance in different velocity conditions are given. Finally, simulation model of CW radar is established based on Simulink tool. Tracking performance of the two kinds of DPLL in different acceleration and jerk conditions is studied by this model. The results show that third-order PLL has better performance in high dynamic conditions. This model provides a platform for further research of CW radar.

  12. Axion as a cold dark matter candidate: analysis to third order perturbation for classical axion

    SciTech Connect

    Noh, Hyerim; Hwang, Jai-chan; Park, Chan-Gyung E-mail: jchan@knu.ac.kr

    2015-12-01

    We investigate aspects of axion as a coherently oscillating massive classical scalar field by analyzing third order perturbations in Einstein's gravity in the axion-comoving gauge. The axion fluid has its characteristic pressure term leading to an axion Jeans scale which is cosmologically negligible for a canonical axion mass. Our classically derived axion pressure term in Einstein's gravity is identical to the one derived in the non-relativistic quantum mechanical context in the literature. We present the general relativistic continuity and Euler equations for an axion fluid valid up to third order perturbation. Equations for axion are exactly the same as that of a zero-pressure fluid in Einstein's gravity except for an axion pressure term in the Euler equation. Our analysis includes the cosmological constant.

  13. The third order correction on Hawking radiation and entropy conservation during black hole evaporation process

    NASA Astrophysics Data System (ADS)

    Yan, Hao-Peng; Liu, Wen-Biao

    2016-08-01

    Using Parikh-Wilczek tunneling framework, we calculate the tunneling rate from a Schwarzschild black hole under the third order WKB approximation, and then obtain the expressions for emission spectrum and black hole entropy to the third order correction. The entropy contains four terms including the Bekenstein-Hawking entropy, the logarithmic term, the inverse area term, and the square of inverse area term. In addition, we analyse the correlation between sequential emissions under this approximation. It is shown that the entropy is conserved during the process of black hole evaporation, which consists with the request of quantum mechanics and implies the information is conserved during this process. We also compare the above result with that of pure thermal spectrum case, and find that the non-thermal correction played an important role.

  14. Divertor with a third-order null of the poloidal field

    SciTech Connect

    Ryutov, D. D.; Umansky, M. V.

    2013-09-15

    A concept and preliminary feasibility analysis of a divertor with the third-order poloidal field null is presented. The third-order null is the point where not only the field itself but also its first and second spatial derivatives are zero. In this case, the separatrix near the null-point has eight branches, and the number of strike-points increases from 2 (as in the standard divertor) to six. It is shown that this magnetic configuration can be created by a proper adjustment of the currents in a set of three divertor coils. If the currents are somewhat different from the required values, the configuration becomes that of three closely spaced first-order nulls. Analytic approach, suitable for a quick orientation in the problem, is used. Potential advantages and disadvantages of this configuration are briefly discussed.

  15. Evaluation of third order nonlinear optical parameters of CdS/PVA nanocomposite

    SciTech Connect

    Sharma, Mamta; Tripathi, S. K. E-mail: surya-tr@yahoo.com

    2015-06-24

    CdS nanoparticles dispersed in PVA are prepared by Chemical method at room temperature. The nonlinear optical parameters such as nonlinear absorption (β), nonlinear refractive index (n{sub 2}) and nonlinear susceptibility (χ{sup 3}) are calculated for this sample by using Z-scan technique. CdS/PVA samples show the two photon absorption mechanism. The third order nonlinear susceptibility is calculated from n{sub 2} and β and is found to be of the order of 10{sup −7} – 10{sup −8} m{sup 2}/V{sup 2}. The larger value of third order nonlinear susceptibility is due to dielectric and quantum confinement effect.

  16. Nonlocal third-order shear deformation plate theory with application to bending and vibration of plates

    NASA Astrophysics Data System (ADS)

    Aghababaei, Ramin; Reddy, J. N.

    2009-09-01

    The third-order shear deformation plate theory of Reddy [A simple higher-order theory for laminated composite plates, J. Appl. Mech. 51 (1984) 745-752] is reformulated using the nonlocal linear elasticity theory of Eringen. This theory has ability to capture the both small scale effects and quadratic variation of shear strain and consequently shear stress through the plate thickness. Analytical solutions of bending and free vibration of a simply supported rectangular plate are presented using this theory to illustrate the effect of nonlocal theory on deflection and natural frequency of the plates. Finally, the relations between nonlocal third-order, first-order and classical theories are discussed by numerical results.

  17. Third-order optical intensity correlation measurements of pseudo-thermal light

    NASA Astrophysics Data System (ADS)

    Chen, Xi-Hao; Wu, Wei; Meng, Shao-Ying; Li, Ming-Fei

    2014-09-01

    Third-order Hanbrury Brown—Twiss and double-slit interference experiments with a pseudo-thermal light are performed by recording intensities in single, double and triple optical paths, respectively. The experimental results verifies the theoretical prediction that the indispensable condition for achieving a interference pattern or ghost image in Nth-order intensity correlation measurements is the synchronous detection of the same light field by each reference detector, no matter the intensities recorded in one, or two, or N optical paths. It is shown that, when the reference detectors are scanned in the opposite directions, the visibility and resolution of the third-order spatial correlation function of thermal light is much better than that scanned in the same direction, but it is no use for obtaining the Nth-order interference pattern or ghost image in the thermal Nth-order interference or ghost imaging.

  18. Substituent Dependence of Third-Order Optical Nonlinearity in Chalcone Derivatives

    NASA Astrophysics Data System (ADS)

    Kiran, Anthony John; Satheesh Rai, Nooji; Chandrasekharan, Keloth; Kalluraya, Balakrishna; Rotermund, Fabian

    2008-08-01

    The third-order nonlinear optical properties of derivatives of dibenzylideneacetone were investigated using the single beam z-scan technique at 532 nm. A strong dependence of third-order optical nonlinearity on electron donor and acceptor type of substituents was observed. An enhancement in χ(3)-value of one order of magnitude was achieved upon the substitution of strong electron donors compared to that of the molecule substituted with an electron acceptor. The magnitude of nonlinear refractive index of these chalcones is as high as of 10-11 esu. Their nonlinear optical coefficients are larger than those of widely used thiophene oligomers and trans-1-[p-(p-dimethylaminobenzyl-azo)-benzyl]-2-(N-methyl-4-pyridinium)-ethene iodide (DABA-PEI) organic compounds.

  19. Transformation properties and third-order aberrations of thin dynamic χ(2) holograms

    NASA Astrophysics Data System (ADS)

    Miloglyadov, E. V.; Stasel'ko, D. I.

    2016-07-01

    The results of a theoretical study of the transformation properties of thin dynamic χ(2) holograms for all frequency mixing versions are generalized, and a general pattern of transformations of reconstructed images (recorded and read at different frequencies) is developed. The principles of ray geometric construction of reconstructed images are determined. The theory of thin dynamic χ(2) holograms is extended to the range of third-order aberrations.

  20. Non-local bias contribution to third-order galaxy correlations

    NASA Astrophysics Data System (ADS)

    Bel, J.; Hoffmann, K.; Gaztañaga, E.

    2015-10-01

    We study halo clustering bias with second- and third-order statistics of halo and matter density fields in the Marenostrum Institut de Ciències de l'Espai (MICE) Grand Challenge simulation. We verify that two-point correlations deliver reliable estimates of the linear bias parameters at large scales, while estimations from the variance can be significantly affected by non-linear and possibly non-local contributions to the bias function. Combining three-point auto- and cross-correlations we find, for the first time in configuration space, evidence for the presence of such non-local contributions. These contributions are consistent with predicted second-order non-local effects on the bias functions originating from the dark matter tidal field. Samples of massive haloes show indications of bias (local or non-local) beyond second order. Ignoring non-local bias causes 20-30 and 5-10 per cent overestimation of the linear bias from three-point auto- and cross-correlations, respectively. We study two third-order bias estimators that are not affected by second-order non-local contributions. One is a combination of three-point auto- and cross-correlations. The other is a combination of third-order one- and two-point cumulants. Both methods deliver accurate estimations of the linear bias. Ignoring non-local bias causes higher values of the second-order bias from three-point correlations. Our results demonstrate that third-order statistics can be employed for breaking the growth-bias degeneracy.

  1. Third-order accurate entropy-stable schemes for initial-boundary-value conservation laws

    NASA Astrophysics Data System (ADS)

    Svärd, Magnus

    2012-08-01

    We consider initial-boundary-value conservation laws with the objective to obtain high-order approximations. We study two different approaches to obtain third-order accuracy, local entropy stability and a global bound on the entropy. The results are applicable to, for example the Euler equations of gas dynamics, for which we present numerical results demonstrating the robustness and accuracy of the scheme.

  2. Third-order 2N-storage Runge-Kutta schemes with error control

    NASA Technical Reports Server (NTRS)

    Carpenter, Mark H.; Kennedy, Christopher A.

    1994-01-01

    A family of four-stage third-order explicit Runge-Kutta schemes is derived that requires only two storage locations and has desirable stability characteristics. Error control is achieved by embedding a second-order scheme within the four-stage procedure. Certain schemes are identified that are as efficient and accurate as conventional embedded schemes of comparable order and require fewer storage locations.

  3. Stationary axisymmetric solutions involving a third order equation irreducible to Painlevé transcendents

    NASA Astrophysics Data System (ADS)

    Gariel, J.; Marcilhacy, G.; Santos, N. O.

    2008-02-01

    We extend the method of separation of variables, studied by Léauté and Marcilhacy [Ann. Inst. Henri Poincare, Sect. A 331, 363 (1979)], to obtain transcendent solutions of the field equations for stationary axisymmetric systems. These solutions depend on transcendent functions satisfying a third order differential equation. For some solutions this equation satisfies the necessary conditions, but not sufficient, to have fixed critical points.

  4. Chaotic attractors based on unstable dissipative systems via third-order differential equation

    NASA Astrophysics Data System (ADS)

    Campos-Cantón, E.

    2016-07-01

    In this paper, we present an approach how to yield 1D, 2D and 3D-grid multi-scroll chaotic systems in R3 based on unstable dissipative systems via third-order differential equation. This class of systems is constructed by a switching control law(SCL) changing the equilibrium point of an unstable dissipative system. The switching control law that governs the position of the equilibrium point varies according to the number of scrolls displayed in the attractor.

  5. Third-order nonlinear optical properties of methylammonium lead halide perovskite films

    SciTech Connect

    Johnson, Justin C.; Li, Zhen; Ndione, Paul F.; Zhu, Kai

    2016-01-01

    We report third-order nonlinear coefficient values and decay time kinetics vs. halide composition (CH3NH3PbBr3 and CH3NH3PbBr2I), temperature, and excitation wavelength. The maximum values of the third-order nonlinear susceptibility X(3) (-1.6 x 10-6 esu) are similar to or larger than many common third-order materials. The source of the nonlinearity is shown to be primarily excitonic in the tribromide film by virtue of its strong enhancement near the exciton resonance. Nonresonant excitation reduces the nonlinearity significantly, as does increasing the temperature. Substitution of one I for one Br also reduces the nonlinearity by at least one order of magnitude, presumably due to the lack of strong exciton resonance in the substituted form. The thin films are stable, highly homogenous (lacking significant light scattering), and simple and inexpensive to fabricate, making them potentially useful in a variety of optoelectronic applications in which wavelength selectivity is important.

  6. Third-order symplectic integration method with inverse time dispersion transform for long-term simulation

    NASA Astrophysics Data System (ADS)

    Gao, Yingjie; Zhang, Jinhai; Yao, Zhenxing

    2016-06-01

    The symplectic integration method is popular in high-accuracy numerical simulations when discretizing temporal derivatives; however, it still suffers from time-dispersion error when the temporal interval is coarse, especially for long-term simulations and large-scale models. We employ the inverse time dispersion transform (ITDT) to the third-order symplectic integration method to reduce the time-dispersion error. First, we adopt the pseudospectral algorithm for the spatial discretization and the third-order symplectic integration method for the temporal discretization. Then, we apply the ITDT to eliminate time-dispersion error from the synthetic data. As a post-processing method, the ITDT can be easily cascaded in traditional numerical simulations. We implement the ITDT in one typical exiting third-order symplectic scheme and compare its performances with the performances of the conventional second-order scheme and the rapid expansion method. Theoretical analyses and numerical experiments show that the ITDT can significantly reduce the time-dispersion error, especially for long travel times. The implementation of the ITDT requires some additional computations on correcting the time-dispersion error, but it allows us to use the maximum temporal interval under stability conditions; thus, its final computational efficiency would be higher than that of the traditional symplectic integration method for long-term simulations. With the aid of the ITDT, we can obtain much more accurate simulation results but with a lower computational cost.

  7. Third-order NLO properties of solution grown methyl- p-hydroxy benzoate single crystals

    NASA Astrophysics Data System (ADS)

    Manikandan, S.; Sabari Girisun, T. C.; Mohandoss, R.; Dhanuskodi, S.; Manivannan, S.

    2014-09-01

    The third-order nonlinear optical properties of solution-grown methyl- p-hydroxy benzoate (MHB) single crystals were studied by Z-scan technique using a He-Ne (632.8 nm, 30 mW) laser. From the closed aperture Z-scan data, the valley followed by peak on the normalized transmittance indicates the sign of the nonlinear refractive index is positive and shows a self focusing nature. From the open aperture Z-scan curve, it is found that the nonlinear absorption is due to saturation. The order of magnitude of third order susceptibility was estimated to be 10-6 esu. UV-Vis-NIR spectrum of MHB single crystal reveals a very low cutoff wavelength (310 nm) and transparency in the entire visible region. Also the material has direct allowed transition and it possesses a band gap of 3.7 eV. The dissipation factor is low and SHG efficiency is high. The higher magnitudes of second and third order NLO parameters make the material suitable for photonic applications like frequency conversion and eye/sensor protection.

  8. Buckling analysis of functionally graded nanobeams based on a nonlocal third-order shear deformation theory

    NASA Astrophysics Data System (ADS)

    Rahmani, O.; Jandaghian, A. A.

    2015-06-01

    In this paper, a general third-order beam theory that accounts for nanostructure-dependent size effects and two-constituent material variation through the nanobeam thickness, i.e., functionally graded material (FGM) beam is presented. The material properties of FG nanobeams are assumed to vary through the thickness according to the power law. A detailed derivation of the equations of motion based on Eringen nonlocal theory using Hamilton's principle is presented, and a closed-form solution is derived for buckling behavior of the new model with various boundary conditions. The nonlocal elasticity theory includes a material length scale parameter that can capture the size effect in a functionally graded material. The proposed model is efficient in predicting the shear effect in FG nanobeams by applying third-order shear deformation theory. The proposed approach is validated by comparing the obtained results with benchmark results available in the literature. In the following, a parametric study is conducted to investigate the influences of the length scale parameter, gradient index, and length-to-thickness ratio on the buckling of FG nanobeams and the improvement on nonlocal third-order shear deformation theory comparing with the classical (local) beam model has been shown. It is found out that length scale parameter is crucial in studying the stability behavior of the nanobeams.

  9. Compensation of nonlinear phase shifts with third-order dispersion in short-pulse fiber amplifiers.

    PubMed

    Zhou, Shian; Kuznetsova, Lyuba; Chong, Andy; Wise, Frank

    2005-06-27

    We show that nonlinear phase shifts and third-order dispersion can compensate each other in short-pulse fiber amplifiers. This compen-sation can be exploited in any implementation of chirped-pulse amplification, with stretching and compression accomplished with diffraction gratings, single-mode fiber, microstructure fiber, fiber Bragg gratings, etc. In particular, we consider chirped-pulse fiber amplifiers at wavelengths for which the fiber dispersion is normal. The nonlinear phase shift accumulated in the amplifier can be compensated by the third-order dispersion of the combination of a fiber stretcher and grating compressor. A numerical model is used to predict the compensation, and experimental results that exhibit the main features of the calculations are presented. In the presence of third-order dispersion, an optimal nonlinear phase shift reduces the pulse duration, and enhances the peak power and pulse contrast compared to the pulse produced in linear propagation. Contrary to common belief, fiber stretchers can perform as well or better than grating stretchers in fiber amplifiers, while offering the major practical advantages of a waveguide medium.

  10. Fabricating third-order nonlinear optical susceptibility of impurity doped quantum dots in the presence of Gaussian white noise

    NASA Astrophysics Data System (ADS)

    Ganguly, Jayanta; Saha, Surajit; Pal, Suvajit; Ghosh, Manas

    2016-03-01

    We perform a meticulous analysis of profiles of third-order nonlinear optical susceptibility (TONOS) of impurity doped quantum dots (QDs) in the presence and absence of noise. We have invoked Gaussian white noise in the present study and noise has been introduced to the system additively and multiplicatively. The QD is doped with a Gaussian impurity. A magnetic field applied perpendicularly serves as a confinement source and the doped system has been exposed to a static external electric field. The TONOS profiles have been monitored against a continuous variation of incident photon energy when several important parameters such as electric field strength, magnetic field strength, confinement energy, dopant location, Al concentration, dopant potential, relaxation time, anisotropy, and noise strength assume different values. Moreover, the influence of mode of introduction of noise (additive/multiplicative) on the TONOS profiles has also been addressed. The said profiles are found to be consisting of interesting observations such as shift of TONOS peak position and maximization/minimization of TONOS peak intensity. The presence of noise alters the features of TONOS profiles and sometimes enhances the TONOS peak intensity from that of noise-free state. Furthermore, the mode of application of noise also often tailors the TONOS profiles in diverse fashions. The observations accentuate the possibility of tuning the TONOS of doped QD systems in the presence of noise.

  11. Second-order and third-order elastic properties of diamond: An ab initio study

    NASA Astrophysics Data System (ADS)

    Clerc, Daryl G.; Ledbetter, Hassel

    2005-10-01

    Diamond's second-order elastic properties, and several third-order properties associated with uniform deformation, were calculated using ab initio all-electron density-functional theory. The predicted second-order elastic properties and equilibrium lattice parameter, in units of GPa and nm, are c11=1043(5), c12=128(5), c44=534(17), bulk modulus B=433(5), shear modulus G=502(10), Poisson ratio μ=0.082(5), and a=0.35569(2), where the parenthetic number is the uncertainty. The second-order force constants, in units of GPa, are kI=3843(108), kII=2346(17), kIII=2847(35), and kIV=5635(45). Here, subscripts I IV denote four strains whose tensor elements are [ɛ, ɛ, ɛ, 0, 0, 0], [ɛ, ɛ, 0, 0, 0, 0], [ɛ, ɛ, -ɛ, 0, 0, 0], and [ɛ, ɛ, ɛ, ɛ, ɛ, ɛ], respectively, using 6-component notation in the format [ɛ1, ɛ2, ɛ3, ɛ4, ɛ5, ɛ6]. Predicted inelastic properties include the third-order force constant corresponding to uniform dilation gI=-55,000(3,500) GPa, the bulk-modulus pressure derivative ∂B/∂P=4.7(3), and the overall Gruneisen parameter γG=0.85(15). Both our second-order and third-order properties agree well with measured values obtained by ultrasonics and by Raman spectroscopy.

  12. Beyond pairs: definition and interpretation of third-order structure in spatial point patterns.

    PubMed

    Kaito, Chiho; Dieckmann, Ulf; Sasaki, Akira; Takasu, Fugo

    2015-05-01

    Spatial distributions of biological species are an important source of information for understanding local interactions at the scale of individuals. Technological advances have made it easier to measure these distributions as spatial point patterns, specifying the locations of individuals. Extensive attention has been devoted to analyzing the second-order structure of such point patterns by focusing on pairs of individuals, and it is well known that the local crowdedness of individuals can thus be quantified. Statistical measures such as a point pattern׳s pair correlation function or Ripley׳s K function show whether a given point pattern is clustered (excess of short-distance pairs) or overdispersed (shortage of short-distance pairs). These notions are naturally defined in comparison with control patterns exhibiting complete spatial randomness, i.e., an absence of any spatial structure. However, there is no rational reason why the analysis of point patterns should stop at the second order. In this paper, we focus on triplets of individuals in an attempt to quantify and interpret the third-order structure of a point pattern. We demonstrate that point patterns with "bandedness", in which individuals are primarily distributed within bands, can be detected by an excess of thinner triplets at a characteristic spatial scale linked to the band׳s width. In this context, we show how the generation of control patterns as a reference for gauging a test pattern׳s triplet frequencies is critical for defining and interpreting the third-order structure of point patterns. Since perfect information on a point pattern׳s second-order structure typically suffices for its unique reconstruction (up to translation, rotation, and reflection), we conjecture that it is essential to minimally coarse-grain such second-order information before using it to generate control patterns for identifying a point pattern׳s third-order structure. We recommend the further exploration of this

  13. Study on metal nanoparticles induced third-order optical nonlinearity in phenylhydrazone derivatives with DFWM technique

    SciTech Connect

    Sudheesh, P.; Chandrasekharan, K.; Rao, D. Mallikharjuna

    2014-01-28

    The third-order nonlinear optical properties of newly synthesized phenylhydrazone derivatives and the influence of noble metal nanoparticles (Ag and Au) on their nonlinear optical responses were investigated by employing Degenerate Four wave Mixing (DFWM) technique with a 7 nanosecond, 10Hz Nd: YAG laser pulses at 532nm. Metal nanoparticles were prepared by laser ablation and the particle formation was confirmed using UV-Visible spectroscopy, Transmission Electron Microscopy (TEM). The nonlinear optical susceptibility were measured and found to be of the order 10{sup −13}esu. The results are encouraging and conclude that the materials are promising candidate for future optical device applications.

  14. Third-Order Nonlinear Optical Properties and Optical Switching of Palladium (I) Complex

    NASA Astrophysics Data System (ADS)

    Manjunatha, K. B.; Dileep, R.; Vikas, M. Shelar; Umesh, G.; Satyanarayan, M. N.; Bhat, B. Ramachandra

    2011-10-01

    We report the third-order nonlinear optical, optical power limiting and optical switching study of palladium-N-(2-pyridyl)-N'- (5-amino salicylidene) hydrazine triphenylphosphine, using Z-scan technique and pump-probe technique. The measured nonlinear refractive index is n2 = -6.022×10-9 esu. The complex exhibits the reverse saturable absorption (RSA), the nonlinear absorption coefficient of β = 10.748×10-9 m/W. The good optical power limiting and optical switching behavior were observed in this complex. These suggest that this complex is a potential molecule for photonic applications.

  15. Dynamical Tangles in Third-Order Oscillator with Single Jump Function

    PubMed Central

    Petržela, Jiří

    2014-01-01

    This contribution brings a deep and detailed study of the dynamical behavior associated with nonlinear oscillator described by a single third-order differential equation with scalar jump nonlinearity. The relative primitive geometry of the vector field allows making an exhaustive numerical analysis of its possible solutions, visualizations of the invariant manifolds, and basins of attraction as well as proving the existence of chaotic motion by using the concept of both Shilnikov theorems. The aim of this paper is also to complete, carry out and link the previous works on simple Newtonian dynamics, and answer the question how individual types of the phenomenon evolve with time via understandable notes. PMID:25544951

  16. On scaling properties of crossing the third-order resonance in particle accelerator

    SciTech Connect

    Lee, S.Y.; Pang, X.; Jing, Y.; Luo, T.; Ng, K.Y.; /Fermilab

    2011-12-01

    We study effects of charged particle beams crossing a third-order resonance in an accelerator. The distortion of invariant torus during the resonance crossing is used to set 20% emittance growth or 2.5% of trap fraction as the critical resonance strength. We find a simple scaling law for the critical resonance strength vs the tune ramp rate and the initial emittance. The scaling law can be derived by solving Hamilton's equation of motion with stationary phase condition. Such scaling law can be used to evaluate the performance in high power accelerators, such as the FFAG and cyclotron.

  17. X-ray third-order nonlinear dynamical diffraction in a crystal

    SciTech Connect

    Balyan, M. K.

    2015-12-15

    The dynamic diffraction of an X-ray wave in a crystal with a third-order nonlinear response to external field strength has been theoretically investigated. General equations for the wave propagation in crystal and nonlinear Takagi equations for both ideal and deformed crystals are derived. Integrals of motion are determined for the nonlinear problem of dynamic diffraction. The results of the numerical calculations of reflectivity in the symmetric Laue geometry for an incident plane wave and the intensity distributions on the output crystal surface for a point source are reported as an example.

  18. Computation of turbulent pipe and duct flow using third order upwind scheme

    NASA Technical Reports Server (NTRS)

    Kawamura, T.

    1986-01-01

    The fully developed turbulence in a circular pipe and in a square duct is simulated directly without using turbulence models in the Navier-Stokes equations. The utilized method employs a third-order upwind scheme for the approximation to the nonlinear term and the second-order Adams-Bashforth method for the time derivative in the Navier-Stokes equation. The computational results appear to capture the large-scale turbulent structures at least qualitatively. The significance of the artificial viscosity inherent in the present scheme is discussed.

  19. The third-order nonlinear optical properties of unsymmetrical trimethine cyanine dyes

    NASA Astrophysics Data System (ADS)

    He, Xuemei; Yang, Junyi; Fang, Yu; Zhou, Feng; Song, Yinglin

    2015-10-01

    In this paper, we investigate the nonlinear optical properties of unsymmetrical trimethine cyanine dyes(ethyl-4-(3-(3-ethylbenzo[d]xazole-2(3H)-ylidene)prop-1-en-1-yl)quinolin-1-iumiodidebenzo[d]xa zole group) by conducting Z-scan technique at 532 nm and time-resolved pump probe with phase object (POPP). Pronounced reverse saturable absorption (RSA) and positive refraction are observed. Moreover, the relevant third-order NLO photo-physical parameters of unsymmetrical trimethine cyanine dyes determined unambiguously.

  20. Third-order nonlinear optical characterization of side-chain copolymers

    NASA Astrophysics Data System (ADS)

    Norwood, Robert A.; Sounik, James R.; Popolo, J.; Holcomb, Douglas P.

    1991-12-01

    Third order nonlinear optical properties of side-chain methacrylate copolymers incorporating 4-amino-4'-nitrostilbene, 4-oxy-4'nitrostilbene, and functionalized silicon phthalocyanine chromophores are measured by picosecond degenerate four wave mixing at 598 nm. The nonresonant stilbene system exhibits a pulse limited ultrafast response, while the resonant phthalocyanine system has a large excited state nonlinearity. Comparison of silicon phthalocyanine copolymers with solubilized guest/host systems dispersed in polymethylmethacrylate illustrate the importance of aggregation and phthalocyanine ring interaction in determining the linear optical properties and the magnitude and speed of the nonlinear optical response.

  1. Quantum theory of the third-order nonlinear electrodynamic effects of graphene

    NASA Astrophysics Data System (ADS)

    Mikhailov, S. A.

    2016-02-01

    The linear energy dispersion of graphene electrons leads to a strongly nonlinear electromagnetic response of this material. We develop a general quantum theory of the third-order nonlinear local dynamic conductivity of graphene σα β γ δ(ω1,ω2,ω3) , which describes its nonlinear response to a uniform electromagnetic field. The derived analytical formulas describe a large number of different nonlinear phenomena such as the third-harmonic generation, the four-wave mixing, the saturable absorption, the second-harmonic generation stimulated by a dc electric current, etc., which may be used in different terahertz and optoelectronic devices.

  2. Third-order nonlinear optical properties of undoped polyaniline solutions and films probed at 532 nm

    SciTech Connect

    Maciel, Glauco S.; Bezerra, Arandi G.; Rakov, Nikifor; de Araujo, Cid B.; Gomes, Anderson S. L.; de Azevedo, Walter M.

    2001-08-01

    The third-order nonlinear optical properties of polyaniline (PANI) solutions and films were investigated at 532 nm by use of Z-scan, power limiting, and optical Kerr gate techniques. The polymers studied were the undoped partially oxidized (emeraldine base) and fully reduced (leucoemeraldine base) forms of PANI. Our results demonstrate that the leucoemeraldine base is more suitable for use in devices such as all-optical switches and optical power limiters operating at 532 nm. The worse performance of the emeraldine base is due to the presence of defects inside the bandgap of the polymer. {copyright} 2001 Optical Society of America

  3. Two-mirror telescope design with third-order coma insensitive to decenter misalignment.

    PubMed

    Scaduto, Lucimara Cristina Nakata; Sasian, Jose; Stefani, Mario Antonio; Neto, Jarbas Caiado de Castro

    2013-03-25

    Misalignments always occur in real optical systems. These misalignments do not generate new aberration forms, but they change the aberration field dependence. Two-mirror telescopes have been used in several applications. We analyze a two-mirror telescope configuration that has negligible sensitivity to decenter misalignments. By applying the wave aberration theory for plane-symmetric optical systems it is shown that the asphericity in the secondary mirror, if properly chosen, can compensate for any decenter perturbation allowing third-order coma unchanged across the field of view. For any two-mirror system it is possible to find a configuration in which decenter misalignments do not generate field-uniform coma.

  4. Re-tracing the Path to Third Order Knowledge: How Did We Get Here and Can We Move On?

    ERIC Educational Resources Information Center

    O'Dowd, Mina

    2001-01-01

    Argues that policy-oriented educational research produced a new kind of knowledge: third order knowledge. Defines third-order knowledge as knowledge of and for experts whose purpose is the legislation and regulation of everyday lives. Proposes that expert knowledge motivates a critical analysis contextualized in a historical study of…

  5. Regenerator performance in a Vuilleumier refrigerator compared with a third-order numerical model

    NASA Technical Reports Server (NTRS)

    Bradley, P. E.; Radebaugh, Ray; Gary, John

    1991-01-01

    A three-stage Vuilleumier refrigerator was used to measure the performance of various third stage regenerators. The refrigerator operates between 2.5 and 5.0 Hz and, depending on the material used in the third stage regenerator, achieves temperatures of 8 to 20 K at the cold end of the third stage. This paper presents a comparison of regenerator performance for four regenerator materials: 229 micron diameter spheres of Pb(+)5 pct Sb, 229 micron diameter spheres of brass, 216 micron irregularly-shaped GdRh powder, and a mixture of 229 microns and 762 microns diameter spheres of Pb(+5) pct Sb. The experimental results are compared with a first-order model that neglects the void volume within the regenerator and with a third-order model that considers the effect of pressure oscillations in the regenerator void volume. Experimental results indicate that regenerator losses are dominated by the pressure oscillation in the void volume rather than the mass flow through the temperature gradient in the regenerator. These results are consistent with the third-order numerical model. This model shows that the heat capacity of the gas in the void space as well as the heat capacity of the matrix influences the regenerator performance.

  6. Thermodynamics of rotating charged black branes in third order lovelock gravity and the counterterm method

    SciTech Connect

    Dehghani, M.H.; Mann, R.B.

    2006-05-15

    We generalize the quasilocal definition of the stress-energy tensor of Einstein gravity to the case of third order Lovelock gravity, by introducing the surface terms that make the action well-defined. We also introduce the boundary counterterm that removes the divergences of the action and the conserved quantities of the solutions of third order Lovelock gravity with zero curvature boundary at constant t and r. Then, we compute the charged rotating solutions of this theory in n+1 dimensions with a complete set of allowed rotation parameters. These charged rotating solutions present black hole solutions with two inner and outer event horizons, extreme black holes or naked singularities provided the parameters of the solutions are suitably chosen. We compute temperature, entropy, charge, electric potential, mass and angular momenta of the black hole solutions, and find that these quantities satisfy the first law of thermodynamics. We find a Smarr-type formula and perform a stability analysis by computing the heat capacity and the determinant of Hessian matrix of mass with respect to its thermodynamic variables in both the canonical and the grand-canonical ensembles, and show that the system is thermally stable. This is commensurate with the fact that there is no Hawking-Page phase transition for black objects with zero curvature horizon.

  7. Perception of second- and third-order orientation signals and their interactions

    PubMed Central

    Victor, Jonathan D.; Thengone, Daniel J.; Conte, Mary M.

    2013-01-01

    Orientation signals, which are crucial to many aspects of visual function, are more complex and varied in the natural world than in the stimuli typically used for laboratory investigation. Gratings and lines have a single orientation, but in natural stimuli, local features have multiple orientations, and multiple orientations can occur even at the same location. Moreover, orientation cues can arise not only from pairwise spatial correlations, but from higher-order ones as well. To investigate these orientation cues and how they interact, we examined segmentation performance for visual textures in which the strengths of different kinds of orientation cues were varied independently, while controlling potential confounds such as differences in luminance statistics. Second-order cues (the kind present in gratings) at different orientations are largely processed independently: There is no cancellation of positive and negative signals at orientations that differ by 45°. Third-order orientation cues are readily detected and interact only minimally with second-order cues. However, they combine across orientations in a different way: Positive and negative signals largely cancel if the orientations differ by 90°. Two additional elements are superimposed on this picture. First, corners play a special role. When second-order orientation cues combine to produce corners, they provide a stronger signal for texture segregation than can be accounted for by their individual effects. Second, while the object versus background distinction does not influence processing of second-order orientation cues, this distinction influences the processing of third-order orientation cues. PMID:23532909

  8. Growth and characterization of a third order nonlinear optical single crystal: Ethylenediamine-4-nitrophenolate monohydrate

    SciTech Connect

    Dhanalakshmi, B.; Ponnusamy, S.; Muthamizhchelvan, C.; Subhashini, V.

    2015-10-15

    Highlights: • EDA4NPH crystal possesses negative nonlinear refractive index. • The crystal exhibits high third-order NLO susceptibility. • Wide transparency of the crystal makes it suitable for NLO applications. • Dielectric studies substantiate the suitability for electro-optic applications. • The crystal possesses suitable mechanical strength for device fabrication. - Abstract: Bulk crystals of the charge-transfer complex, ethylenediamine-4-nitrophenolate monohydrate, were grown by slow solvent evaporation method from aqueous solution at room temperature. The X-ray diffraction measurements showed that the crystal belongs to centrosymmetric space group C2/c of monoclinic system. The functional groups in the complex were identified using FTIR, FTRaman and FTNMR analyses. The Z-scan measurements revealed the negative nonlinear refractive index of the crystal. The nonlinear absorption coefficient and third order nonlinear optical susceptibility calculated from the measurements were −3.5823 × 10{sup −3} cm/W and 2.3762 × 10{sup −6} esu respectively. The crystal was shown to be highly transparent above 366 nm by UV–vis spectroscopy and a yellow fluorescence was observed from PL spectrum. The TG–DTA and DSC analyses showed that the crystal is thermally stable up to 117.4 °C. The crystals were characterized by dielectric, etching and microhardness studies.

  9. Third-order perturbation theory for van der Waals interaction coefficients

    SciTech Connect

    Tang Liyan; Shi Tingyun; Yan Zongchao; Mitroy, J.

    2011-11-15

    The third-order expression for the dispersion interaction between two atoms is written as a sum over lists of transition matrix elements. Particular attention is given to the C{sub 9}/R{sup 9} interaction which occurs in the homonuclear case when one atom is in an S state and the other is in a P state. Numerical values of the C{sub 9} coefficient are given for the homonuclear alkali-metal dimers. The size of the C{sub 9}:C{sub 3} dispersion coefficient ratio increases for the heavier alkali-metal atoms. The C{sub 11} and C{sub 13} coefficients between two helium atoms and lithium atoms in their ground states are also given.

  10. Ultrafast control of third-order optical nonlinearities in fishnet metamaterials

    NASA Astrophysics Data System (ADS)

    Shorokhov, Alexander S.; Okhlopkov, Kirill I.; Reinhold, Jörg; Helgert, Christian; Shcherbakov, Maxim R.; Pertsch, Thomas; Fedyanin, Andrey A.

    2016-06-01

    Nonlinear photonic nanostructures that allow efficient all-optical switching are considered to be a prospective platform for novel building blocks in photonics. We performed time-resolved measurements of the photoinduced transient third-order nonlinear optical response of a fishnet metamaterial. The mutual influence of two non-collinear pulses exciting the magnetic resonance of the metamaterial was probed by detecting the third-harmonic radiation as a function of the time delay between pulses. Subpicosecond-scale dynamics of the metamaterial’s χ(3) was observed; the all-optical χ(3) modulation depth was found to be approximately 70% at a pump fluence of only 20 μJ/cm2.

  11. Ultrafast control of third-order optical nonlinearities in fishnet metamaterials

    PubMed Central

    Shorokhov, Alexander S.; Okhlopkov, Kirill I.; Reinhold, Jörg; Helgert, Christian; Shcherbakov, Maxim R.; Pertsch, Thomas; Fedyanin, Andrey A.

    2016-01-01

    Nonlinear photonic nanostructures that allow efficient all-optical switching are considered to be a prospective platform for novel building blocks in photonics. We performed time-resolved measurements of the photoinduced transient third-order nonlinear optical response of a fishnet metamaterial. The mutual influence of two non-collinear pulses exciting the magnetic resonance of the metamaterial was probed by detecting the third-harmonic radiation as a function of the time delay between pulses. Subpicosecond-scale dynamics of the metamaterial’s χ(3) was observed; the all-optical χ(3) modulation depth was found to be approximately 70% at a pump fluence of only 20 μJ/cm2. PMID:27335268

  12. Third-order photonic-crystal distributed-feedback quantum cascade lasers

    NASA Astrophysics Data System (ADS)

    Zhang, J. C.; Liu, F. Q.; Wang, L. J.; Zhao, L. H.; Liu, W. F.; Liu, J. Q.; Li, L.; Wang, Z. G.

    2012-10-01

    We demonstrate room-temperature operation of broad-area edge-emitting photonic-crystal distributed-feedback quantum cascade lasers at λ ∼ 4.6 μm. The lasers use a weak-index perturbed third-order photonic-crystal lattice to control the optical mode in the wafer plane. Utilizing this coupling mechanism, the near-diffraction-limited beam quality with a far-field profile normal to the facet can be obtained. Single-mode operation with a signal-to-noise ratio of about 20 dB is achieved in the temperature range of 85-290 K. The single-facet output power is above 1 W for a 55 μm × 2.5 mm laser bar at 85 K in pulsed mode.

  13. Effects of upstream-biased third-order space correction terms on multidimensional Crowley advection schemes

    NASA Technical Reports Server (NTRS)

    Schlesinger, R. E.

    1985-01-01

    The impact of upstream-biased corrections for third-order spatial truncation error on the stability and phase error of the two-dimensional Crowley combined advective scheme with the cross-space term included is analyzed, putting primary emphasis on phase error reduction. The various versions of the Crowley scheme are formally defined, and their stability and phase error characteristics are intercompared using a linear Fourier component analysis patterned after Fromm (1968, 1969). The performances of the schemes under prototype simulation conditions are tested using time-dependent numerical experiments which advect an initially cone-shaped passive scalar distribution in each of three steady nondivergent flows. One such flow is solid rotation, while the other two are diagonal uniform flow and a strongly deformational vortex.

  14. A fluctuation method to calculate the third order elastic constants in crystalline solids

    SciTech Connect

    Chen, Zimu; Qu, Jianmin

    2015-05-28

    This paper derives exact expressions of the isothermal third order elastic constants (TOE) in crystalline solids in terms of the kinetic and potential energies of the system. These expressions reveal that the TOE constants consist of a Born component and a relaxation component. The Born component is simply the third derivative of the system's potential energy with respect to the deformation, while the relaxation component is related to the non-uniform rearrangements of the atoms when the system is subject to a macroscopic deformation. Further, based on the general expressions derived here, a direct (fluctuation) method of computing the isothermal TOE constants is developed. Numerical examples of using this fluctuation method are given to compute the TOE constants of single crystal iron.

  15. Second- and third-order upwind difference schemes for hyperbolic conservation laws

    NASA Technical Reports Server (NTRS)

    Yang, J. Y.

    1984-01-01

    Second- and third-order two time-level five-point explicit upwind-difference schemes are described for the numerical solution of hyperbolic systems of conservation laws and applied to the Euler equations of inviscid gas dynamics. Nonliner smoothing techniques are used to make the schemes total variation diminishing. In the method both hyperbolicity and conservation properties of the hyperbolic conservation laws are combined in a very natural way by introducing a normalized Jacobian matrix of the hyperbolic system. Entropy satisfying shock transition operators which are consistent with the upwind differencing are locally introduced when transonic shock transition is detected. Schemes thus constructed are suitable for shockcapturing calculations. The stability and the global order of accuracy of the proposed schemes are examined. Numerical experiments for the inviscid Burgers equation and the compressible Euler equations in one and two space dimensions involving various situations of aerodynamic interest are included and compared.

  16. Problems in simulating the stratocumulus-topped boundary layer with a third-order closure model

    NASA Technical Reports Server (NTRS)

    Moeng, C.-H.; Randall, D. A.

    1984-01-01

    The Andre et al. (1976, 1978) third-order closure model, in which the time rate of change terms, the relaxation and rapid effects for pressure-related terms, and the clipping approximation are used along with the quasi-normal closure, is invoked in the study of turbulence in a cloudy layer that is radiatively cooled from above. A spurious oscillation whose greatest amplitude lies near the inversion is shown by analysis to arise from the mean gradient and buoyancy terms of the triple-moment equations. An attempt is made to damp the oscillation through the introduction of diffusion terms into the triple-moment equations. The results obtained are noted to be sensitive to the ad hoc eddy coefficient applied in the third-moment equations.

  17. Third-order nonlinear optical response of colloidal gold nanoparticles prepared by sputtering deposition

    NASA Astrophysics Data System (ADS)

    Castro, Hemerson P. S.; Wender, Heberton; Alencar, Márcio A. R. C.; Teixeira, Sergio R.; Dupont, Jairton; Hickmann, Jandir M.

    2013-11-01

    The nonlinear optical responses of gold nanoparticles dispersed in castor oil produced by sputtering deposition were investigated, using the thermally managed Z-scan technique. Particles with spherical shape and 2.6 nm of average diameter were obtained and characterized by transmission electron microscopy and small angle X-ray scattering. This colloid was highly stable, without the presence of chemical impurities, neither stabilizers. It was observed that this system presents a large refractive third-order nonlinear response and a negligible nonlinear absorption. Moreover, the evaluation of the all-optical switching figures of merit demonstrated that the colloidal nanoparticles prepared by sputtering deposition have a good potential for the development of ultrafast photonic devices.

  18. Effective third-order susceptibility of silicon-nanocrystal-doped silica.

    PubMed

    Rukhlenko, Ivan D; Zhu, Weiren; Premaratne, Malin; Agrawal, Govind P

    2012-11-19

    We derive approximate analytic expressions for the effective susceptibility tensor of a nonlinear composite, consisting of silicon nanocrystals embedded in fused silica. Two types of composites are considered: by assuming that (i) the crystallographic axes of different crystallites are the same, or (ii) crystallites are oriented randomly. In the first case, the tensor properties of the effective third-order susceptibility are shown to coincide with those of the bulk silicon. In the second case, however, the tensor properties of the susceptibility of the composite material are found to be quite different due to drastic modification of light interaction with optical phonons inside the composite. The newly derived expressions should be useful for modeling nonlinear optical phenomena in silica fibers and waveguides doped with silicon nanocrystals.

  19. Design constraints for third-order PLL nodes in master-slave clock distribution networks

    NASA Astrophysics Data System (ADS)

    Bueno, A. M.; Rigon, A. G.; Ferreira, A. A.; Piqueira, José R. C.

    2010-09-01

    Clock signal distribution in telecommunication commercial systems usually adopts a master-slave architecture, with a precise time basis generator as a master and phase-locked loops (PLLs) as slaves. In the majority of the networks, second-order PLLs are adopted due to their simplicity and stability. Nevertheless, in some applications better transient responses are necessary and, consequently, greater order PLLs need to be used, in spite of the possibility of bifurcations and chaotic attractors. Here a master-slave network with third-order PLLs is analyzed and conditions for the stability of the synchronous state are derived, providing design constraints for the node parameters, in order to guarantee stability and reachability of the synchronous state for the whole network. Numerical simulations are carried out in order to confirm the analytical results.

  20. Third-order nonlinear optical response of colloidal gold nanoparticles prepared by sputtering deposition

    SciTech Connect

    Castro, Hemerson P. S.; Alencar, Márcio A. R. C.; Hickmann, Jandir M.; Wender, Heberton; Teixeira, Sergio R.; Dupont, Jairton

    2013-11-14

    The nonlinear optical responses of gold nanoparticles dispersed in castor oil produced by sputtering deposition were investigated, using the thermally managed Z-scan technique. Particles with spherical shape and 2.6 nm of average diameter were obtained and characterized by transmission electron microscopy and small angle X-ray scattering. This colloid was highly stable, without the presence of chemical impurities, neither stabilizers. It was observed that this system presents a large refractive third-order nonlinear response and a negligible nonlinear absorption. Moreover, the evaluation of the all-optical switching figures of merit demonstrated that the colloidal nanoparticles prepared by sputtering deposition have a good potential for the development of ultrafast photonic devices.

  1. Efficient Third-Order Distributed Feedback Laser with Enhanced Beam Pattern

    NASA Technical Reports Server (NTRS)

    Hu, Qing (Inventor); Lee, Alan Wei Min (Inventor); Kao, Tsung-Yu (Inventor)

    2015-01-01

    A third-order distributed feedback laser has an active medium disposed on a substrate as a linear array of segments having a series of periodically spaced interstices therebetween and a first conductive layer disposed on a surface of the active medium on each of the segments and along a strip from each of the segments to a conductive electrical contact pad for application of current along a path including the active medium. Upon application of a current through the active medium, the active medium functions as an optical waveguide, and there is established an alternating electric field, at a THz frequency, both in the active medium and emerging from the interstices. Spacing of adjacent segments is approximately half of a wavelength of the THz frequency in free space or an odd integral multiple thereof, so that the linear array has a coherence length greater than the length of the linear array.

  2. Spherically Symmetric Gravitational Collapse of a Dust Cloud in Third-Order Lovelock Gravity

    NASA Astrophysics Data System (ADS)

    Zhou, Kang; Yang, Zhan-Ying; Zou, De-Cheng; Yue, Rui-Hong

    We investigate the spherically symmetric gravitational collapse of an incoherent dust cloud by considering a LTB-type spacetime in third-order Lovelock Gravity without cosmological constant, and give three families of LTB-like solutions which separately corresponding to hyperbolic, parabolic and elliptic. Notice that the contribution of high-order curvature corrections have a profound influence on the nature of the singularity, and the global structure of spacetime changes drastically from the analogous general relativistic case. Interestingly, the presence of high order Lovelock terms leads to the formation of massive, naked and timelike singularities in the 7D spacetime, which is disallowed in general relativity. Moveover, we point out that the naked singularities in the 7D case may be gravitational weak therefore may not be a serious threat to the cosmic censorship hypothesis, while the naked singularities in the D ≥ 8 inhomogeneous collapse violate the cosmic censorship hypothesis seriously.

  3. Third order wave equation in Duffin-Kemmer-Petiau theory: Massive case

    NASA Astrophysics Data System (ADS)

    Markov, Yu. A.; Markova, M. A.; Bondarenko, A. I.

    2015-11-01

    Within the framework of the Duffin-Kemmer-Petiau (DKP) formalism a more consistent approach to the derivation of the third order wave equation obtained earlier by M. Nowakowski [1] on the basis of heuristic considerations is suggested. For this purpose an additional algebraic object, the so-called q -commutator (q is a primitive cubic root of unity) and a new set of matrices ημ instead of the original matrices βμ of the DKP algebra are introduced. It is shown that in terms of these ημ matrices we have succeeded in reducing a procedure of the construction of cubic root of the third order wave operator to a few simple algebraic transformations and to a certain operation of the passage to the limit z →q , where z is some complex deformation parameter entering into the definition of the η -matrices. A corresponding generalization of the result obtained to the case of the interaction with an external electromagnetic field introduced through the minimal coupling scheme is carried out and a comparison with M. Nowakowski's result is performed. A detailed analysis of the general structure for a solution of the first order differential equation for the wave function ψ (x ;z ) is performed and it is shown that the solution is singular in the z →q limit. The application to the problem of construction within the DKP approach of the path integral representation in parasuperspace for the propagator of a massive vector particle in a background gauge field is discussed.

  4. Third order optical nonlinearity and optical limiting studies of propane hydrazides

    NASA Astrophysics Data System (ADS)

    Naseema, K.; Manjunatha, K. B.; Sujith, K. V.; Umesh, G.; Kalluraya, Balakrishna; Rao, Vijayalakshmi

    2012-09-01

    Four hydrazones, 2-(4-isobutylphenyl)-N'-[phenylmethylene] propanehydrazide (P1), 2-(4-isobutylphenyl)-N'-[(4- tolyl)methylene] propane hydrazide (P2), 2-(4-isobutylphenyl)-N'-[1-(4- chlorophenyl)ethylidene] propanehydrazide (P3) and 2-(4-isobutylphenyl)-N'-[1-(4-Nitrrophenyl)ethylidene] propane hydrazide (P4) were synthesized and their third order nonlinear optical properties have been investigated using a single beam Z-scan technique with nanosecond laser pulses at 532 nm. The measurement on the compound-P1 is not reported as there is no detectable nonlinear response. Open aperture data of the other three compounds indicate two photon absorption at this wavelength. The nonlinear refractive index n2, nonlinear absorption coefficient β, magnitude of effective third order susceptibility χ(3), the second order hyperpolarizability γh and the coupling factor ρ have been estimated. The values obtained are comparable with the values obtained for 4-methoxy chalcone derivatives and dibenzylideneacetone derivatives. The experimentally determined values of β, n2, Re χ(3) and Im χ(3), γh and ρ of the compound-P4 are 1.42 cm/GW, -0.619 × 10-11 esu, -0.663 × 10-13 esu, 0.22 × 10-13 esu, 0.34 × 10-32 esu and 0.33 respectively. Further the compound-P4 exhibited the best optical power limiting behavior at 532 nm among the compounds studied. Our studies suggest that compounds P2, P3 and P4 are potential candidates for the optical device applications such as optical limiters and optical switches.

  5. Third-order nonlinear and linear time-dependent dynamical diffraction of X-rays in crystals.

    PubMed

    Balyan, Minas K

    2016-07-01

    For the first time the third-order nonlinear time-dependent Takagi's equations of X-rays in crystals are obtained and investigated. The third-order nonlinear and linear time-dependent dynamical diffraction of X-rays spatially restricted in the diffraction plane pulses in crystals is investigated theoretically. A method of solving the linear and the third-order nonlinear time-dependent Takagi's equations is proposed. Based on this method, results of analytical and numerical calculations for both linear and nonlinear diffraction cases are presented and compared.

  6. Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Hohenstein, Edward G.; Parrish, Robert M.; Martínez, Todd J.

    2012-07-01

    Many approximations have been developed to help deal with the O(N4) growth of the electron repulsion integral (ERI) tensor, where N is the number of one-electron basis functions used to represent the electronic wavefunction. Of these, the density fitting (DF) approximation is currently the most widely used despite the fact that it is often incapable of altering the underlying scaling of computational effort with respect to molecular size. We present a method for exploiting sparsity in three-center overlap integrals through tensor decomposition to obtain a low-rank approximation to density fitting (tensor hypercontraction density fitting or THC-DF). This new approximation reduces the 4th-order ERI tensor to a product of five matrices, simultaneously reducing the storage requirement as well as increasing the flexibility to regroup terms and reduce scaling behavior. As an example, we demonstrate such a scaling reduction for second- and third-order perturbation theory (MP2 and MP3), showing that both can be carried out in O(N4) operations. This should be compared to the usual scaling behavior of O(N5) and O(N6) for MP2 and MP3, respectively. The THC-DF technique can also be applied to other methods in electronic structure theory, such as coupled-cluster and configuration interaction, promising significant gains in computational efficiency and storage reduction.

  7. A fresh look at the photoelectron spectrum of bromobenzene: A third-order non-Dyson electron propagator study

    NASA Astrophysics Data System (ADS)

    Schneider, M.; Soshnikov, D. Yu.; Holland, D. M. P.; Powis, I.; Antonsson, E.; Patanen, M.; Nicolas, C.; Miron, C.; Wormit, M.; Dreuw, A.; Trofimov, A. B.

    2015-10-01

    The valence-shell ionization spectrum of bromobenzene, as a representative halogen substituted aromatic, was studied using the non-Dyson third-order algebraic-diagrammatic construction [nD-ADC(3)] approximation for the electron propagator. This method, also referred to as IP-ADC(3), was implemented as a part of the Q-Chem program and enables large-scale calculations of the ionization spectra, where the computational effort scales as n5 with respect to the number of molecular orbitals n. The IP-ADC(3) scheme is ideally suited for investigating low-lying ionization transitions, so fresh insight could be gained into the cationic state manifold of bromobenzene. In particular, the present IP-ADC(3) calculations with the cc-pVTZ basis reveal a whole class of low-lying low-intensity two-hole-one-particle (2h-1p) doublet and quartet states, which are relevant to various photoionization processes. The good qualitative agreement between the theoretical spectral profile for the valence-shell ionization transitions generated with the smaller cc-pVDZ basis set and the experimental photoelectron spectrum measured at a photon energy of 80 eV on the PLÉIADES beamline at the Soleil synchrotron radiation source allowed all the main features to be assigned. Some theoretical aspects of the ionization energy calculations concerning the use of various approximation schemes and basis sets are discussed.

  8. A fresh look at the photoelectron spectrum of bromobenzene: A third-order non-Dyson electron propagator study

    SciTech Connect

    Schneider, M.; Wormit, M.; Dreuw, A.; Soshnikov, D. Yu.; Trofimov, A. B.; Holland, D. M. P.; Powis, I.; Antonsson, E.; Patanen, M.; Nicolas, C.; Miron, C.

    2015-10-14

    The valence-shell ionization spectrum of bromobenzene, as a representative halogen substituted aromatic, was studied using the non-Dyson third-order algebraic-diagrammatic construction [nD-ADC(3)] approximation for the electron propagator. This method, also referred to as IP-ADC(3), was implemented as a part of the Q-Chem program and enables large-scale calculations of the ionization spectra, where the computational effort scales as n{sup 5} with respect to the number of molecular orbitals n. The IP-ADC(3) scheme is ideally suited for investigating low-lying ionization transitions, so fresh insight could be gained into the cationic state manifold of bromobenzene. In particular, the present IP-ADC(3) calculations with the cc-pVTZ basis reveal a whole class of low-lying low-intensity two-hole-one-particle (2h-1p) doublet and quartet states, which are relevant to various photoionization processes. The good qualitative agreement between the theoretical spectral profile for the valence-shell ionization transitions generated with the smaller cc-pVDZ basis set and the experimental photoelectron spectrum measured at a photon energy of 80 eV on the PLÉIADES beamline at the Soleil synchrotron radiation source allowed all the main features to be assigned. Some theoretical aspects of the ionization energy calculations concerning the use of various approximation schemes and basis sets are discussed.

  9. Synthesis, growth and characterization of new organic crystal: 2-Aminopyridinium p-Toluenesulfonate for third order nonlinear optical applications

    NASA Astrophysics Data System (ADS)

    Bincy, I. P.; Gopalakrishnan, R.

    2014-09-01

    2-Aminopyridinium p-Toluenesulfonate (2APPTS), an organic NLO crystal, was grown for the first time by the slow evaporation solution technique. Single crystal X-ray diffraction analysis reveals that 2APPTS belongs to monoclinic crystal system with centrosymmetric space group P21/n. The determined lattice parameters are a=8.580(7) Å, b=6.419(5) Å, c=23.277(18) Å, β=100.016(3)° and volume=1262.58(3) Å3. Powder XRD study reveals the crystalline nature of the grown sample. FT-IR and FT-Raman studies were carried out to identify the functional groups present in 2APPTS. FT-NMR spectral study confirms the number of protons and carbon present in the molecular structure of the title compound. Thermal behavior and stability of 2APPTS were investigated by thermogravimetric (TG) and differential thermal analyses (DTA). Transparency of the title crystal in UV-vis-NIR region was analyzed and the optical band gap energy was found to be 3.6 eV. The mechanical properties of the grown crystals have been analyzed by the Vickers microhardness method. The etching studies reveal the growth pattern and dislocations present in the grown 2APPTS crystal. The negative third order nonlinear optical parameters like refractive index (n2), absorption coefficient (β) and susceptibility (χ(3)) were estimated by Z-scan studies.

  10. Electron Correlation Theory and Experimental Measurements of the Third-Order Nonlinear Optical Properties of Conjugated Linear Chains.

    NASA Astrophysics Data System (ADS)

    Heflin, James Randolph, Jr.

    1990-01-01

    Comprehensive theoretical and experimental studies of the magnitude, sign, dispersion, and length dependence of the third order molecular susceptibility gamma _{ijkl}(-omega_4 ;omega_1, omega_2, omega_3 ) demonstrate that the microscopic origin of the nonresonant third order nonlinear optical properties of conjugated linear chains is determined by the effects of electron correlation due to electron-electron repulsion. Multiple -excited configuration interaction calculations of gamma_{ijkl}(-omega _4;omega_1, omega_2, omega _3) for the archetypal class of quasi-one dimensional conjugated structures known as polyenes reveal for the first time the principal role of strongly correlated, energetically high-lying, two photon ^1 A_{rm g} virtual states in the largest of the two dominant, competing virtual excitation processes that determine gamma _{ijkl}(-omega_4 ;omega_1,omega _2,omega_3). It is also found in studies of the effects of conformation on gamma_{ijkl}( -omega_4;omega _1,omega_2, omega_3) that the origin of the third order optical properties remains basically the same for the all-trans and cis-transoid polyenes, and the results for the two conformations are unified by a common power law dependence of the dominant tensor component gamma_{xxxx}(- omega_4;omega_1 ,omega_2,omega _3) on the physical end-to-end length L of the chain with an exponent of 3.5. Calculations for a noncentrosymmetric conjugated chain demonstrate that virtual excitation processes involving diagonal transition moments that are forbidden in centrosymmetric structures lead to a more than an order of magnitude enhancement in gamma_{xxxx}(-omega _4;omega_1, omega_2,omega _3) compared to the analog centrosymmetric structure. Experimental measurements of the dispersion in the isotropically averaged dc-induced second harmonic susceptibility and third harmonic susceptibility in two important polyene structures confirm the

  11. Spherical integral transforms of second-order gravitational tensor components onto third-order gravitational tensor components

    NASA Astrophysics Data System (ADS)

    Šprlák, Michal; Novák, Pavel

    2016-10-01

    New spherical integral formulas between components of the second- and third-order gravitational tensors are formulated in this article. First, we review the nomenclature and basic properties of the second- and third-order gravitational tensors. Initial points of mathematical derivations, i.e., the second- and third-order differential operators defined in the spherical local North-oriented reference frame and the analytical solutions of the gradiometric boundary-value problem, are also summarized. Secondly, we apply the third-order differential operators to the analytical solutions of the gradiometric boundary-value problem which gives 30 new integral formulas transforming (1) vertical-vertical, (2) vertical-horizontal and (3) horizontal-horizontal second-order gravitational tensor components onto their third-order counterparts. Using spherical polar coordinates related sub-integral kernels can efficiently be decomposed into azimuthal and isotropic parts. Both spectral and closed forms of the isotropic kernels are provided and their limits are investigated. Thirdly, numerical experiments are performed to test the consistency of the new integral transforms and to investigate properties of the sub-integral kernels. The new mathematical apparatus is valid for any harmonic potential field and may be exploited, e.g., when gravitational/magnetic second- and third-order tensor components become available in the future. The new integral formulas also extend the well-known Meissl diagram and enrich the theoretical apparatus of geodesy.

  12. Third-order nonlinear optical response of Ag-CdSe/PVA hybrid nanocomposite

    NASA Astrophysics Data System (ADS)

    Tripathi, S. K.; Kaur, Ramneek; Kaur, Jaspreet; Sharma, Mamta

    2015-09-01

    Hybrid nanocomposites of II-VI semiconductor nanoparticles are gaining great interest in nonlinear optoelectronic devices. Present work includes the characterization of CdSe polymer nanocomposite prepared by chemical in situ technique. From X-ray diffraction, the hexagonal wurtzite structure of nanoparticles has been confirmed with spherical morphology from transmission electron microscopy. Ag-CdSe hybrid polymer nanocomposite has been prepared chemically at different Ag concentrations. The presence of Ag in hybrid nanocomposite has been confirmed with energy-dispersive X-ray spectroscopy. The effect of varying Ag concentration on the linear and nonlinear optical properties of the nanocomposites has been studied. In linear optical parameters, the linear absorption coefficient, refractive index, extinction coefficient and optical conductivity have been calculated. The third-order nonlinear optical properties have been observed with open- and closed-aperture Z-scan technique. The large nonlinear refractive index ~10-5 cm2/W with self-focusing behaviour is due to the combined effect of quantum confinement and thermo-optical effects. The enhanced nonlinearity with increasing Ag content is due to the surface plasmon resonance, which enhances the local electric field near the nanoparticle surface. Thus, Ag-CdSe hybrid polymer nanocomposite has favourable nonlinear optical properties for various optoelectronic applications.

  13. A third-order mode high frequency biosensor with atomic resolution.

    PubMed

    Cai, Hua-Lin; Yang, Yi; Chen, Xiao; Mohammad, Mohammad Ali; Ye, Tian-Xiang; Guo, Cang-Ran; Yi, Li-Ting; Zhou, Chang-Jian; Liu, Jing; Ren, Tian-Ling

    2015-09-15

    An atomic resolution ultra-high sensitivity surface acoustic wave (SAW) biosensor for DNA sequences and cells detection is proposed. Interdigitated transducers (IDTs) fabricated on LiNbO3 substrate achieve a high quality factor (Q) of over 4000 at a frequency of 6.4 GHz (third-order harmonic mode) using an optimized design and process. The biosensor shows excellent linear responses to target DNA in the range from 1 μg/ml to 1 ng/ml with a high sensitivity of 6.7 × 10(-16)g/cm(2)/Hz, hence the difference of a single hybridized DNA base can also be distinguished. With such a high mass resolution, the biosensor is capable of quantitative detection of living cancer cells. The frequency responses of single mouse mammary adenocarcinoma (EMT6) cell and mouse fibroblast (3T3) cell are studied. The interferences in the experiments show insignificant influence on the frequency shift, which verifies the high selectivity of the biosensor. The biosensor is also able to repeat the sensing ability after rough cleaning, therefore cost reduction is achieved from the recycling process in practical applications. The detection limit is defined from the noise analysis of the device, atomic resolution is realized according to the calculation, thereby initiating a potential tool for high-precision medical diagnoses and phenomena observation at the atomic-level.

  14. Third-order transport coefficients for electron and positron swarms in gases

    NASA Astrophysics Data System (ADS)

    Simonovic, Ilija; Dujko, Sasa; White, Ronald; Petrovic, Zoran

    2015-09-01

    A multi term solution of the Boltzmann equation has been used to calculate third-order transport coefficients of charged particle swarms in neutral gases under the influence of electric and magnetic fields. The hierarchy resulting from a spherical harmonic decomposition of the Boltzmann equation in the hydrodynamic regime is solved numerically by representing the speed dependence of the phase-space distribution function in terms of an expansion in Sonine polynomials about a Maxwellian velocity distribution at an internally determined temperature. A group projector technique is employed to determine the structure and symmetries along individual elements of the skewness tensor when both electric and magnetic fields are present. Results are given for electron and positron swarms for certain model and real gases over a range of electric and magnetic field strengths. The results of the Boltzmann equation analysis are compared with those obtained by a Monte Carlo simulation technique. Various aspects in the behavior of skewness tensor elements are investigated, including the existence of correlation with low-order transport coefficients, sensitivity to post-ionization energy partitioning and errors of two-term approximation for solving Boltzmann's equation.

  15. Third-order thermodynamic perturbation theory for effective potentials that model complex fluids

    NASA Astrophysics Data System (ADS)

    Zhou, Shiqi; Solana, J. R.

    2008-08-01

    We have performed Monte Carlo simulations to obtain the thermodynamic properties of fluids with two kinds of hard-core plus attractive-tail or oscillatory potentials. One of them is the square-well potential with small well width. The other is a model potential with oscillatory and decaying tail. Both model potentials are suitable for modeling the effective potential arising in complex fluids and fluid mixtures with extremely-large-size asymmetry, as is the case of the solvent-induced depletion interactions in colloidal dispersions. For the former potential, the compressibility factor, the excess energy, the constant-volume excess heat capacity, and the chemical potential have been obtained. For the second model potential only the first two of these quantities have been obtained. The simulations cover the whole density range for the fluid phase and several temperatures. These simulation data have been used to test the performance of a third-order thermodynamic perturbation theory (TPT) recently developed by one of us [S. Zhou, Phys. Rev. E 74, 031119 (2006)] as compared with the well-known second-order TPT based on the macroscopic compressibility approximation due to Barker and Henderson. It is found that the first of these theories provides much better accuracy than the second one for all thermodynamic properties analyzed for the two effective potential models.

  16. Simulations of the stratocumulus-topped boundary layer with a third-order closure model

    NASA Technical Reports Server (NTRS)

    Moeng, C. H.; Randall, D. A.

    1984-01-01

    A third order closure model is proposed by Andre et al. (1982), in which the time rate of change terms, the relaxation and rapid effects for the pressure related terms, and the clipping approximation are included along with the quasi-normal closure, to study turbulence in a cloudy layer which is cooled radiatively from above. A spurious oscillation which is strongest near the inversion occurs. An analysis of the problem shows that the oscillation arises from the mean gradient and buoyancy terms of the triple moment equations; these terms are largest near the cloud top. The oscillation is physical, rather than computational. In nature the oscillation is effectively damped, by a mechanism which apparently is not included in our model. In the stably stratified layer just above the mixed layer top, turbulence can excite gravity waves, whose energy is radiated away. Because the closure assumption for the pressure terms does not take into account the transport of wave energy, the model generates spurious oscillations. Damping of the oscillations is possible by introducing diffusion terms into the triple moment equations. With a large enough choice for the diffusion coefficient, the oscillation is effectively eliminated. The results are quite sensitive to the ad hoc eddy coefficient.

  17. Exploiting multi-lead electrocardiogram correlations using robust third-order tensor decomposition.

    PubMed

    Padhy, Sibasankar; Dandapat, Samarendra

    2015-10-01

    In this Letter, a robust third-order tensor decomposition of multi-lead electrocardiogram (MECG) comprising of 12-leads is proposed to reduce the dimension of the storage data. An order-3 tensor structure is employed to represent the MECG data by rearranging the MECG information in three dimensions. The three-dimensions of the formed tensor represent the number of leads, beats and samples of some fixed ECG duration. Dimension reduction of such an arrangement exploits correlations present among the successive beats (intra-beat and inter-beat) and across the leads (inter-lead). The higher-order singular value decomposition is used to decompose the tensor data. In addition, multiscale analysis has been added for effective care of ECG information. It grossly segments the ECG characteristic waves (P-wave, QRS-complex, ST-segment and T-wave etc.) into different sub-bands. In the meantime, it separates high-frequency noise components into lower-order sub-bands which helps in removing noise from the original data. For evaluation purposes, we have used the publicly available PTB diagnostic database. The proposed method outperforms the existing algorithms where compression ratio is under 10 for MECG data. Results show that the original MECG data volume can be reduced by more than 45 times with acceptable diagnostic distortion level. PMID:26609416

  18. Stochastic, real-space, imaginary-time evaluation of third-order Feynman-Goldstone diagrams.

    PubMed

    Willow, Soohaeng Yoo; Hirata, So

    2014-01-14

    A new, alternative set of interpretation rules of Feynman-Goldstone diagrams for many-body perturbation theory is proposed, which translates diagrams into algebraic expressions suitable for direct Monte Carlo integrations. A vertex of a diagram is associated with a Coulomb interaction (rather than a two-electron integral) and an edge with the trace of a Green's function in real space and imaginary time. With these, 12 diagrams of third-order many-body perturbation (MP3) theory are converted into 20-dimensional integrals, which are then evaluated by a Monte Carlo method. It uses redundant walkers for convergence acceleration and a weight function for importance sampling in conjunction with the Metropolis algorithm. The resulting Monte Carlo MP3 method has low-rank polynomial size dependence of the operation cost, a negligible memory cost, and a naturally parallel computational kernel, while reproducing the correct correlation energies of small molecules within a few mEh after 10(6) Monte Carlo steps.

  19. Stochastic, real-space, imaginary-time evaluation of third-order Feynman–Goldstone diagrams

    SciTech Connect

    Willow, Soohaeng Yoo; Hirata, So

    2014-01-14

    A new, alternative set of interpretation rules of Feynman–Goldstone diagrams for many-body perturbation theory is proposed, which translates diagrams into algebraic expressions suitable for direct Monte Carlo integrations. A vertex of a diagram is associated with a Coulomb interaction (rather than a two-electron integral) and an edge with the trace of a Green's function in real space and imaginary time. With these, 12 diagrams of third-order many-body perturbation (MP3) theory are converted into 20-dimensional integrals, which are then evaluated by a Monte Carlo method. It uses redundant walkers for convergence acceleration and a weight function for importance sampling in conjunction with the Metropolis algorithm. The resulting Monte Carlo MP3 method has low-rank polynomial size dependence of the operation cost, a negligible memory cost, and a naturally parallel computational kernel, while reproducing the correct correlation energies of small molecules within a few mE{sub h} after 10{sup 6} Monte Carlo steps.

  20. Ethylenediaminium di(4-nitrophenolate): a third order NLO material for optical limiting applications.

    PubMed

    Thangaraj, M; Ravi, G; Sabari Girisun, T C; Vinitha, G; Loganathan, A

    2015-03-01

    Single crystals of ethylenediaminium di(4-nitrophenolate) [EDA4NP] were grown by slow evaporation solution growth technique using ethanol as solvent at constant temperature. It crystallizes in monoclinic centrosymmetric space group C2/c with cell dimension a=11.326Ǻ, b=7.264Ǻ, c=20.036Ǻ; β=93.55°. Fourier Transform Infra Red (FT-IR) spectrum was recorded to identify various functional groups present in EDA4NP. Nuclear Magnetic Resonance (NMR) spectral studies were performed to confirm the functional groups. Thermogravimetric analysis and differential thermal analysis showed that the compound melts at 142.9°C. The material possesses a wide optical transparency window in the visible and near IR region (500-1200nm). The nonlinear refractive index, nonlinear absorption coefficient and third-order nonlinear susceptibility of EDA4NP were estimated to be n2=5.46×10(-8)cm(2)W(-1), β=0.65×10(-3)cmW(-1) and χ((3))=2.96×10(-6)esu respectively. The limiting behavior observed with the sample is attributed mainly to nonlinear refraction. PMID:25498811

  1. Stochastic, real-space, imaginary-time evaluation of third-order Feynman-Goldstone diagrams.

    PubMed

    Willow, Soohaeng Yoo; Hirata, So

    2014-01-14

    A new, alternative set of interpretation rules of Feynman-Goldstone diagrams for many-body perturbation theory is proposed, which translates diagrams into algebraic expressions suitable for direct Monte Carlo integrations. A vertex of a diagram is associated with a Coulomb interaction (rather than a two-electron integral) and an edge with the trace of a Green's function in real space and imaginary time. With these, 12 diagrams of third-order many-body perturbation (MP3) theory are converted into 20-dimensional integrals, which are then evaluated by a Monte Carlo method. It uses redundant walkers for convergence acceleration and a weight function for importance sampling in conjunction with the Metropolis algorithm. The resulting Monte Carlo MP3 method has low-rank polynomial size dependence of the operation cost, a negligible memory cost, and a naturally parallel computational kernel, while reproducing the correct correlation energies of small molecules within a few mEh after 10(6) Monte Carlo steps. PMID:24437869

  2. Third-Order Development of Shape, Gravity, and Moment of Inertia of Ceres

    NASA Astrophysics Data System (ADS)

    Rambaux, N.; Chambat, F.; Castillo, J. C.

    2015-12-01

    Ceres is the target of the space mission Dawn. It is a protoplanet that is left over from the formation of the solar System about 4.6 billion years ago and its study could improve our knowledge of the early solar system. Quantifying these properties under the assumption of hydrostatic equilibrium forms the basis for interpreting shape and gravity data in terms of interior structure and infer deviations from hydrostaticity that can bring information on the thermal and chemical history of the planet. Here, we investigate the hydrostatic shape and gravitational potential coefficients of Ceres that is large enough to have undergone internal differentiation and chemical stratification. The Dawn spacecraft is expected to obtained a high-resolution shape data, with an accuracy better than 200 m/pixel. In order to reach an accuracy of few tens of meters for this 9 hours self-gravitating body, the shape models developed up to first order are not enough because they attain an accuracy of 1.8 km. Therefore, we numerically integrate Clairaut's equations of rotational equilibrium expanded up to third order in a small parameter m, the geodetic parameter, to reach an accuracy of 25 meters. The following geodetical quantities under the hydrostatic hypothesis are derived: flattening and other shape parameters, gravitational potential coefficients, and moments of inertia. This type of modeling will be instrumental to the estimation of non-hydrostatic contributions to Ceres' shape to be measured by Dawn.

  3. Controlling the growth of porphyrin based nanostructures for tuning third-order NLO properties.

    PubMed

    Wang, Liang; Chen, Yanli; Jiang, Jianzhuang

    2014-01-01

    A series of porphyrin nanospindles with controlled long axis length distributions of 330, 550, 800 nm, and 4 μm have been successfully fabricated via hierarchical self-assembly of cationic porphyrin (H₆TPyP)(4+) with the help of anionic surfactant sodium dodecyl sulfonate (SDS) due to the effective electrostatic interaction. These newly fabricated nanostructures are characterized by TEM and SEM techniques, powder X-ray diffraction analysis, electronic absorption spectroscopy, and confocal laser scanning microscopy (CLSM). The Z-scan technique with a laser duration of 5 ns at the wavelength of 532 nm reveals unreported size-dependent third-order NLO switching properties: the nonlinear absorption changes from saturation absorption to reversed saturation absorption and the nonlinear refraction from self-defocus to self-focus due to the change of the dominant scattering effect, from Rayleigh scattering for nanostructures with a smaller size than the wavelength of laser light, to Mie scattering for nanostructures with a larger size than the laser wavelength. This result is useful for the development of organic nanostructures with desired NLO properties, in particular the optical limiting properties.

  4. Ethylenediaminium di(4-nitrophenolate): a third order NLO material for optical limiting applications.

    PubMed

    Thangaraj, M; Ravi, G; Sabari Girisun, T C; Vinitha, G; Loganathan, A

    2015-03-01

    Single crystals of ethylenediaminium di(4-nitrophenolate) [EDA4NP] were grown by slow evaporation solution growth technique using ethanol as solvent at constant temperature. It crystallizes in monoclinic centrosymmetric space group C2/c with cell dimension a=11.326Ǻ, b=7.264Ǻ, c=20.036Ǻ; β=93.55°. Fourier Transform Infra Red (FT-IR) spectrum was recorded to identify various functional groups present in EDA4NP. Nuclear Magnetic Resonance (NMR) spectral studies were performed to confirm the functional groups. Thermogravimetric analysis and differential thermal analysis showed that the compound melts at 142.9°C. The material possesses a wide optical transparency window in the visible and near IR region (500-1200nm). The nonlinear refractive index, nonlinear absorption coefficient and third-order nonlinear susceptibility of EDA4NP were estimated to be n2=5.46×10(-8)cm(2)W(-1), β=0.65×10(-3)cmW(-1) and χ((3))=2.96×10(-6)esu respectively. The limiting behavior observed with the sample is attributed mainly to nonlinear refraction.

  5. Static and dynamic properties of polymer brush with topological ring structures: Molecular dynamic simulation

    NASA Astrophysics Data System (ADS)

    Wan, Wu-Bing; Lv, Hong-Hong; Merlitz, Holger; Wu, Chen-Xu

    2016-10-01

    By defining a topological constraint value (rn), the static and dynamic properties of a polymer brush composed of moderate or short chains with different topological ring structures are studied using molecular dynamics simulation, and a comparison with those of linear polymer brush is also made. For the center-of-mass height of the ring polymer brush scaled by chain length h ˜ N ν , there is no significant difference of exponent from that of a linear brush in the small topological constraint regime. However, as the topological constraint becomes stronger, one obtains a smaller exponent. It is found that there exists a master scaling power law of the total stretching energy scaled by chain length N for moderate chain length regime, F ene ˜ Nρ ν , for ring polymer brushes, but with a larger exponent ν than 5/6, indicating an influence of topological constraint to the dynamic properties of the system. A topological invariant of free energy scaled by 5/4 is found. Project supported by the National Natural Science Foundation of China (Grant Nos. 11374243 and 11574256).

  6. Quasi-static multiaxial testing of PBX 9501: Creep effects on Estane molecular weight

    SciTech Connect

    Peterson, P.D.; Idar, D.J.; Rabie, R.; Fugard, C.S.; King, W.; Buntain, G.A.; Crane, N.B.

    1999-02-01

    High explosives (HE) can be subjected to low level loading due to weapon design. As with other materials, loads well below the elastic limit may still lead to material property changes over time. PBX 9501, a conventional high explosive, has been used in several system designs. To evaluate potential environmental aging effects on HE, it is necessary to characterize material-flow and mechanical-property changes occurring in PBX 9501. Low-level loads may bring about material changes if creep related phenomena, such as polymer disentanglement or uncrosslinking, occur in the material. Recently, several studies on HE have increased understanding of the effects of density and the relative percentage of constituents on materials properties, e.g. elastic modulus, ultimate strength, and strain at ultimate strength, at low strain rates ({approx} 10{sup {minus}3} to 10{sup {minus}1} s{sup {minus}1}). However, the authors are only beginning to understand the effects of quasi-static multiaxial loading on PBX 9501 and Estane molecular weight (MW) changes. The results of these experiments are presented in this report.

  7. The third-order optical nonlinearities of Ge-Ga-Sb(In)-S chalcogenide glasses

    SciTech Connect

    Guo, Haitao; Chen, Hongyan; Hou, Chaoqi; Lin, Aoxiang; Zhu, Yonggang; Lu, Shoudi; Gu, Shaoxuan; Lu, Min; Peng, Bo

    2011-05-15

    Research highlights: {yields} It is firstly demonstrated that the nonlinear refractive index n{sub 2} is dependent on the covalency of bonds in chalcogenide glass. {yields} Homopolar metallic bonds in chalcogenide glass have positive contribution to large nonlinear refractive index n{sub 2} also. {yields} The 80GeS{sub 2}.20Sb{sub 2}S{sub 3} glass would be expected to be used in the all-optical switches working at 1330 nm and 1550 nm telecommunication wavelengths. -- Abstract: The third-order optical nonlinearities of 80GeS{sub 2}.(20 - x)Ga{sub 2}S{sub 3}.xY{sub 2}S{sub 3} (x = 0, 5, 10, 15, 20 and Y = Sb or In) chalcogenide glasses were investigated utilizing the Z-scan method at the wavelength of 800 nm and their linear optical properties and structure were also studied. By analyzing the compositional dependences and possible influencing factors including the linear refractive index, the concentration of lone electron pairs, the optical bandgap and the amount of weak covalent/homopolar bonds, it indicates that the electronic contribution in weak heteropolar covalent and homopolar metallic bonds is responsible for large nonlinear refractive index n{sub 2} in the chalcogenide glasses. These chalcogenide glasses have characteristics of environmentally friendship, wide transparency in the visible region, high nonlinear refractive index n{sub 2} and low nonlinear absorption coefficient {beta}, and would be expected to be used in the all-optical switches working at 1330 nm and 1550 nm telecommunication wavelengths.

  8. Third-order aberrations in GRIN crystalline lens: A new method based on axial and field rays

    PubMed Central

    Río, Arturo Díaz del; Gómez-Reino, Carlos; Flores-Arias, M. Teresa

    2014-01-01

    This paper presents a new procedure for calculating the third-order aberration of gradient-index (GRIN) lenses that combines an iterative numerical method with the Hamiltonian theory of aberrations in terms of two paraxial rays with boundary conditions on general curved end surfaces and, as a second algebraic step has been presented. Application of this new method to a GRIN human is analyzed in the framework of the bi-elliptical model. The different third-order aberrations are determined, except those that need for their calculation skew rays, because the study is made only for meridional rays. PMID:25444647

  9. Third-order aberrations in GRIN crystalline lens: a new method based on axial and field rays.

    PubMed

    Río, Arturo Díaz Del; Gómez-Reino, Carlos; Flores-Arias, M Teresa

    2015-01-01

    This paper presents a new procedure for calculating the third-order aberration of gradient-index (GRIN) lenses that combines an iterative numerical method with the Hamiltonian theory of aberrations in terms of two paraxial rays with boundary conditions on general curved end surfaces and, as a second algebraic step has been presented. Application of this new method to a GRIN human is analyzed in the framework of the bi-elliptical model. The different third-order aberrations are determined, except those that need for their calculation skew rays, because the study is made only for meridional rays. PMID:25444647

  10. Third-order aberrations in GRIN crystalline lens: a new method based on axial and field rays.

    PubMed

    Río, Arturo Díaz Del; Gómez-Reino, Carlos; Flores-Arias, M Teresa

    2015-01-01

    This paper presents a new procedure for calculating the third-order aberration of gradient-index (GRIN) lenses that combines an iterative numerical method with the Hamiltonian theory of aberrations in terms of two paraxial rays with boundary conditions on general curved end surfaces and, as a second algebraic step has been presented. Application of this new method to a GRIN human is analyzed in the framework of the bi-elliptical model. The different third-order aberrations are determined, except those that need for their calculation skew rays, because the study is made only for meridional rays.

  11. Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

    PubMed

    Nishimoto, Yoshio

    2015-09-01

    We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well. PMID:26342360

  12. JOSA COMMUNICATIONS: Stabilization of soliton trains in optical fibers in the presence of third-order dispersion

    NASA Astrophysics Data System (ADS)

    Uzunov, I. M.; Gölles, M.; Lederer, F.

    1995-06-01

    We analyze the propagation of soliton trains with small initial separation in the presence of third-order dispersion. We show that both the amplitudes and the positions can be stabilized, provided that phase modulation is applied and adjacent pulses are initially out of phase.

  13. A third order of accuracy difference scheme for Dirichlet type overdermined problem with mixed boundary value conditions

    NASA Astrophysics Data System (ADS)

    Ashyralyyev, Charyyar; Dedeturk, Mutlu

    2016-08-01

    Approximation of Dirichlet type overdetermined multidimensional elliptic problem with Dirichlet-Neumann boundary conditions are discussed. A third order of accuracy difference scheme for its approximate solution is proposed. The stability, almost coercive stability and coercive stability inequalities for the solution of constructed difference scheme are established. Test example for a two-dimensional elliptic problem is presented.

  14. Time-dependent density-functional tight-binding method with the third-order expansion of electron density

    SciTech Connect

    Nishimoto, Yoshio

    2015-09-07

    We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

  15. A Kramers-Moyal Approach to the Analysis of Third-Order Noise with Applications in Option Valuation

    PubMed Central

    Popescu, Dan M.; Lipan, Ovidiu

    2015-01-01

    We propose the use of the Kramers-Moyal expansion in the analysis of third-order noise. In particular, we show how the approach can be applied in the theoretical study of option valuation. Despite Pawula’s theorem, which states that a truncated model may exhibit poor statistical properties, we show that for a third-order Kramers-Moyal truncation model of an option’s and its underlier’s price, important properties emerge: (i) the option price can be written in a closed analytical form that involves the Airy function, (ii) the price is a positive function for positive skewness in the distribution, (iii) for negative skewness, the price becomes negative only for price values that are close to zero. Moreover, using third-order noise in option valuation reveals additional properties: (iv) the inconsistencies between two popular option pricing approaches (using a “delta-hedged” portfolio and using an option replicating portfolio) that are otherwise equivalent up to the second moment, (v) the ability to develop a measure R of how accurately an option can be replicated by a mixture of the underlying stocks and cash, (vi) further limitations of second-order models revealed by introducing third-order noise. PMID:25625856

  16. A third-order compact gas-kinetic scheme on unstructured meshes for compressible Navier-Stokes solutions

    NASA Astrophysics Data System (ADS)

    Pan, Liang; Xu, Kun

    2016-08-01

    In this paper, for the first time a third-order compact gas-kinetic scheme is proposed on unstructured meshes for the compressible viscous flow computations. The possibility to design such a third-order compact scheme is due to the high-order gas evolution model, where a time-dependent gas distribution function at cell interface not only provides the fluxes across a cell interface, but also presents a time accurate solution for flow variables at cell interface. As a result, both cell averaged and cell interface flow variables can be used for the initial data reconstruction at the beginning of next time step. A weighted least-square procedure has been used for the initial reconstruction. Therefore, a compact third-order gas-kinetic scheme with the involvement of neighboring cells only can be developed on unstructured meshes. In comparison with other conventional high-order schemes, the current method avoids the Gaussian point integration for numerical fluxes along a cell interface and the multi-stage Runge-Kutta method for temporal accuracy. The third-order compact scheme is numerically stable under CFL condition CFL ≈ 0.5. Due to its multidimensional gas-kinetic formulation and the coupling of inviscid and viscous terms, even with unstructured meshes, the boundary layer solution and vortex structure can be accurately captured by the current scheme. At the same time, the compact scheme can capture strong shocks as well.

  17. Linear system identification - The application of Lion's identification scheme to a third order system with noisy input-output measurements

    NASA Technical Reports Server (NTRS)

    Brown, C. M., Jr.; Monopoli, R. V.

    1974-01-01

    A linear system identification technique developed by Lion is adapted for use on a third-order system with six unknown parameters and noisy input-output measurements. A digital computer is employed so that rapid identification takes place with only two state variable filters. Bias in the parameter estimates is partially eliminated by a signal-to-noise ratio testing procedure.

  18. Third order nonlinear optical properties of stacked bacteriochlorophylls in bacterial photosynthetic light-harvesting proteins

    SciTech Connect

    Chen, L.X.; Laible, P.D.; Spano, F.C.; Manas, E.S.

    1997-09-01

    Enhancement of the nonresonant second order molecular hyperpolarizabilities {gamma} were observed in stacked macrocyclic molecular systems, previously in a {micro}-oxo silicon phthalocyanine (SiPcO) monomer, dimer and trimer series, and now in bacteriochlorophyll a (BChla) arrays of light harvesting (LH) proteins. Compared to monomeric BChla in a tetrahydrofuran (THF) solution, the <{gamma}> for each macrocycle was enhanced in naturally occurring stacked macrocyclic molecular systems in the bacterial photosynthetic LH proteins where BChla`s are arranged in tilted face-to-face arrays. In addition, the {gamma} enhancement is more significant in B875 of LH1 than in B850 in LH2. Theoretical modeling of the nonresonant {gamma} enhancement using simplified molecular orbitals for model SiPcO indicated that the energy level of the two photon state is crucial to the {gamma} enhancement when a two photon process is involved, whereas the charge transfer between the monomers is largely responsible when one photon near resonant process is involved. The calculated results can be extended to {gamma} enhancement in B875 and B850 arrays, suggesting that BChla in B875 are more strongly coupled than in B850. In addition, a 50--160 fold increase in <{gamma}> for the S{sub 1} excited state of relative to S{sub 0} of bacteriochlorophyll in vivo was observed which provides an alternative method for probing excited state dynamics and a potential application for molecular switching.

  19. Synthesis, Z-Scan and Degenerate Four Wave Mixing characterization of certain novel thiocoumarin derivatives for third order nonlinear optical applications

    NASA Astrophysics Data System (ADS)

    Jayakrishnan, K.; Joseph, Antony; Mathew, K. Paulson; Siji, T. B.; Chandrasekharan, K.; Narendran, N. K. Siji; Jaseela, M. A.; Muraleedharan, K.

    2016-08-01

    The third order nonlinear optical features of certain novel thiocoumarin derivatives have been studied. Single beam Z-scan study on these compounds reveals that the compounds exhibit self defocusing effect upon irradiation with 532 nm, 7 ns pulses of Nd:YAG laser. Nonlinear absorption coefficient, nonlinear refractive index and second-order molecular hyperpolarizability values were estimated. The optical power limiting properties of the compounds are found to be attributable to both two-photon and excited state absorption. Some of the samples show nonlinear absorption coefficient (βeff) as high as 24.5 cm/GW. UV-Visible and photoluminescence outputs of these compounds reveal remarkable absorptive and emissive properties. This article also reports extraordinary growth of third order optical nonlinearity in pure coumarin upon certain donor substitutions in lieu of hydrogen. Degenerate Four Wave Mixing (DFWM) signals of the compounds were analyzed to verify the Z-scan results. Electrostatic Surface Potential (ESP) mapping and structure optimization techniques have been employed to interpret the structure-property relationship of each molecule.

  20. Study on third order nonlinear optical properties of a metal organic complex-Monothiourea-cadmium Sulphate Dihydrate single crystals grown in silica gel

    NASA Astrophysics Data System (ADS)

    Sivanandan, T.; Kalainathan, S.

    2015-04-01

    The third order nonlinear optical properties of Monothiourea-cadmium Sulphate Dihydrate crystal were measured using a He-Ne laser (λ=632.8 nm) by a Z-scan technique. The magnitude of nonlinear refractive index (n2) and nonlinear absorption coefficient was found to be 4.4769×10-11 m2/W and 1.233×10-2 m/W respectively. The third order non-linear optical susceptibility χ(3) was found to be in the order of 3.6533×10-2 esu. The negative sign of non-linear refractive index shows the self-defocusing nature of the gel grown crystal. The second-order molecular hyperpolarizability γ of the grown crystal is 1.2822×10-33 esu. Laser damage threshold was measured by using an Nd: YAG laser (1064 nm). Photoconductivity studies of the gel grown crystal revealed that the crystal possesses positive photoconducting nature. The results obtained from Z-scan, laser damage threshold and photoconducting studies reveal that the crystal can be a possible candidate material for photonics device, optical switches, and optical power limiting application.

  1. Four Dibutylamino Substituents Are Better Than Eight in Modulating the Electronic Structure and Third-Order Nonlinear-Optical Properties of Phthalocyanines.

    PubMed

    Chen, Yuxiang; Cao, Wei; Wang, Chiming; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang

    2016-03-21

    2(3),9(10),16(17),23(24)-Tetrakis(dibutylamino)phthalocyanine compounds M{Pc[N(C4H9)2]4} (1-5; M = 2H, Mg, Ni, Cu, Zn) were prepared and characterized by a range of spectroscopic methods in addition to elemental analysis. Electrochemical and electronic absorption spectroscopic studies revealed the more effective conjugation of the nitrogen lone pair of electrons in the dibutylamino side chains with the central phthalocyanine π system in M{Pc[N(C4H9)2]4} than in M{Pc[N(C4H9)2]8}, which, in turn, results in superior third-order nonlinear-optical (NLO) properties of H2{Pc[N(C4H9)2]4} (1) over H2{Pc[N(C4H9)2]8}, as revealed by the obviously larger effective imaginary third-order molecular hyperpolarizability (Im{χ((3))}) of 6.5 × 10(-11) esu for the former species than for the latter one with a value of 3.4 × 10(-11) esu. This is well rationalized on the basis of both structural and theoretical calculation results. The present result seems to represent the first effort toward directly connecting the peripheral functional substituents, electronic structures, and NLO functionality together for phthalocyanine molecular materials, which will be helpful for the development of functional phthalocyanine materials via molecular design and synthesis even through only tuning of the peripheral functional groups.

  2. Four Dibutylamino Substituents Are Better Than Eight in Modulating the Electronic Structure and Third-Order Nonlinear-Optical Properties of Phthalocyanines.

    PubMed

    Chen, Yuxiang; Cao, Wei; Wang, Chiming; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang

    2016-03-21

    2(3),9(10),16(17),23(24)-Tetrakis(dibutylamino)phthalocyanine compounds M{Pc[N(C4H9)2]4} (1-5; M = 2H, Mg, Ni, Cu, Zn) were prepared and characterized by a range of spectroscopic methods in addition to elemental analysis. Electrochemical and electronic absorption spectroscopic studies revealed the more effective conjugation of the nitrogen lone pair of electrons in the dibutylamino side chains with the central phthalocyanine π system in M{Pc[N(C4H9)2]4} than in M{Pc[N(C4H9)2]8}, which, in turn, results in superior third-order nonlinear-optical (NLO) properties of H2{Pc[N(C4H9)2]4} (1) over H2{Pc[N(C4H9)2]8}, as revealed by the obviously larger effective imaginary third-order molecular hyperpolarizability (Im{χ((3))}) of 6.5 × 10(-11) esu for the former species than for the latter one with a value of 3.4 × 10(-11) esu. This is well rationalized on the basis of both structural and theoretical calculation results. The present result seems to represent the first effort toward directly connecting the peripheral functional substituents, electronic structures, and NLO functionality together for phthalocyanine molecular materials, which will be helpful for the development of functional phthalocyanine materials via molecular design and synthesis even through only tuning of the peripheral functional groups. PMID:26931202

  3. Ab initio molecular dynamics study of the static, dynamic, and electronic properties of liquid mercury at room temperature.

    PubMed

    Calderín, L; González, L E; González, D J

    2009-05-21

    We report a study on several static, dynamic, and electronic properties of liquid Hg at room temperature. We have performed ab initio molecular dynamics simulations using Kohn-Sham density functional theory combined with a nonlocal ultrasoft pseudopotential. The calculated static structure shows good agreement with the available experimental data. We present results for the single-particle dynamics, and recent experimental data are analyzed. The calculated dynamic structure factors S(q,omega) fairly agree with their experimental counterparts as measured by inelastic x-ray (and neutron) scattering experiments. The dispersion relation exhibits a positive dispersion, which however is not so marked as suggested by the experiment; moreover, its slope at the long-wavelength limit provides a good estimate of the experimental sound velocity. We have also analyzed the dynamical processes behind the S(q,omega) in terms of a model including a relaxation mechanism with both fast and slow characteristic time scales. PMID:19466841

  4. Near-microsecond human aquaporin 4 gating dynamics in static and alternating external electric fields: Non-equilibrium molecular dynamics

    NASA Astrophysics Data System (ADS)

    English, Niall J.; Garate, José-A.

    2016-08-01

    An extensive suite of non-equilibrium molecular-dynamics simulation has been performed for ˜0.85-0.9 μs of human aquaporin 4 in the absence and presence of externally applied static and alternating electric fields applied along the channels (in both axial directions in the static case, taken as the laboratory z-axis). These external fields were of 0.0065 V/Å (r.m.s.) intensity (of the same order as physiological electrical potentials); alternating fields ranged in frequency from 2.45 to 500 GHz. In-pore gating dynamics was studied, particularly of the relative propensities for "open" and "closed" states of the conserved arginines in the arginine/aromatic area (itself governed in no small part by external-field response of the dipolar alignment of the histidine-201 residue in the selectivity filter). In such a manner, the intimate connection of field-response governing "two-state" histidine states was established statistically and mechanistically. Given the appreciable size of the energy barriers for histidine-201 alignment, we have also performed non-equilibrium metadynamics/local-elevation of static fields applied along both directions to construct the free-energy landscape thereof in terms of external-field direction, elucidating the importance of field direction on energetics. We conclude from direct measurement of deterministic molecular dynamics in conjunction with applied-field metadynamics that the intrinsic electric field within the channel points along the +z-axis, such that externally applied static fields in this direction serve to "open" the channel in the selectivity-filter and the asparagine-proline-alanine region.

  5. Near-microsecond human aquaporin 4 gating dynamics in static and alternating external electric fields: Non-equilibrium molecular dynamics.

    PubMed

    English, Niall J; Garate, José-A

    2016-08-28

    An extensive suite of non-equilibrium molecular-dynamics simulation has been performed for ∼0.85-0.9 μs of human aquaporin 4 in the absence and presence of externally applied static and alternating electric fields applied along the channels (in both axial directions in the static case, taken as the laboratory z-axis). These external fields were of 0.0065 V/Å (r.m.s.) intensity (of the same order as physiological electrical potentials); alternating fields ranged in frequency from 2.45 to 500 GHz. In-pore gating dynamics was studied, particularly of the relative propensities for "open" and "closed" states of the conserved arginines in the arginine/aromatic area (itself governed in no small part by external-field response of the dipolar alignment of the histidine-201 residue in the selectivity filter). In such a manner, the intimate connection of field-response governing "two-state" histidine states was established statistically and mechanistically. Given the appreciable size of the energy barriers for histidine-201 alignment, we have also performed non-equilibrium metadynamics/local-elevation of static fields applied along both directions to construct the free-energy landscape thereof in terms of external-field direction, elucidating the importance of field direction on energetics. We conclude from direct measurement of deterministic molecular dynamics in conjunction with applied-field metadynamics that the intrinsic electric field within the channel points along the +z-axis, such that externally applied static fields in this direction serve to "open" the channel in the selectivity-filter and the asparagine-proline-alanine region. PMID:27586951

  6. Performance optimization of RoF systems using 120° hybrid coupler for OSSB signal against third order intermodulation

    NASA Astrophysics Data System (ADS)

    Kumar, Parvin; Sharma, Sanjay Kumar; Singla, Shelly

    2016-10-01

    The performance of radio over fiber (RoF) system with dual drive Mach Zehender modulator has been optimized against third order intermodulation distortion by using 120° hybrid coupler in transmission system. Signal to Noise Distortion ratio (SNDR) has been evaluated and a performance comparison is also drawn for the systems based on 90° and 120° hybrid coupler in both noise and intermodulation distortion dominant environment. The SNDR is efficiently improved by employing 120° hybrid coupler in noise dominant and intermodulation distortion dominant environment. An improvement of 4.86 dB is obtained in the maximum SNDR with 120° hybrid coupler is obtained over at 20 km optical fiber length compared with a 90° hybrid coupler based system. A significant reduction of third order intermodulation power at receiver has also been observed with 120° hybrid coupler.

  7. Third order nonlinear optical properties and optical limiting behavior of alkali metal complexes of p-nitrophenol

    NASA Astrophysics Data System (ADS)

    Thangaraj, M.; Vinitha, G.; Sabari Girisun, T. C.; Anandan, P.; Ravi, G.

    2015-10-01

    Optical nonlinearity of metal complexes of p-nitrophenolate (M=Li, Na and K) in ethanol is studied by using a continuous wave (cw) diode pumped Nd:YAG laser (532 nm, 50 mW). The predominant mechanism of observed nonlinearity is thermal in origin. The nonlinear refractive index and the nonlinear absorption coefficient of the samples were found to be in the order of 10-8 cm2/W and 10-3 cm/W respectively. Magnitude of third-order optical parameters varies according to the choice of alkali metal chosen for metal complex formation of p-nitrophenolate. The third-order nonlinear susceptibility was found to be in the order of 10-6 esu. The observed saturable absorption and the self-defocusing effect were used to demonstrate the optical limiting action at 532 nm by using the same cw laser beam.

  8. Role of the human lens gradient-index profile in the compensation of third-order ocular aberrations

    NASA Astrophysics Data System (ADS)

    Díaz, José A.; Fernández-Dorado, José; Sorroche, Francisco

    2012-07-01

    The open question regarding the compensation of the ocular aberrations between the cornea and the lens is currently being investigated. We report additional insights considering the role of the lens gradient-index (GRIN) profile in third-order ocular aberrations, since this profile changes through life. Thus, we have calculated the contribution of that profile to the ocular aberrations with aging by applying the Seidel third-order theory of tilted and decentered elements, and by using a schematic-eye model. The results show the GRIN profile is needed to account for the decoupling of the aberrations between the cornea and the lens because the geometrical changes of the ocular surfaces with aging are not enough. Therefore, the current developments of aging human-eye models, as well as the experimental studies, cannot neglect the changes of the lens GRIN structure through life when modelling mechanisms of the compensation of ocular aberrations.

  9. Large third-order optical nonlinearities in iron oxide thin films synthesized by reactive pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Mulenko, S. A.; Rudenko, V. I.; Liakhovetskyi, V. R.; Brodin, A. M.; Stefan, N.

    2016-10-01

    We report on a study of the third-order nonlinear optical properties of Fe2O3 thin films, grown by the method of laser deposition on silica (SiO2) substrates. The films were synthesized on substrates at different temperatures (293 K and 800 K) and under different oxygen pressures (0.1 Pa, 0.5 Pa, 1.0 Pa). The resulting films were amorphous, if grown on cold substrates (293 K), or polycrystalline otherwise. The third-order optical susceptibility χ(3) of the films was determined by the Z-scan method at the wavelengths of 1064 nm and 532 nm and the laser pulse width of 20 ns. Remarkably high χ(3) values on the order of 10-4 esu at 1064 nm are obtained. The results show that Fe2O3 thin films are promising nonlinear materials for contemporary optoelectronics.

  10. Soliton's eigenvalue based analysis on the generation mechanism of rogue wave phenomenon in optical fibers exhibiting weak third order dispersion.

    PubMed

    Weerasekara, Gihan; Tokunaga, Akihiro; Terauchi, Hiroki; Eberhard, Marc; Maruta, Akihiro

    2015-01-12

    One of the extraordinary aspects of nonlinear wave evolution which has been observed as the spontaneous occurrence of astonishing and statistically extraordinary amplitude wave is called rogue wave. We show that the eigenvalues of the associated equation of nonlinear Schrödinger equation are almost constant in the vicinity of rogue wave and we validate that optical rogue waves are formed by the collision between quasi-solitons in anomalous dispersion fiber exhibiting weak third order dispersion.

  11. Study on the third-order nonlinear optical properties of bis(tetrabutylammonium)bis(1,3-dithiole-2-thione-4,5-dithiolato)cadium

    NASA Astrophysics Data System (ADS)

    Yang, Hongliang; Wang, Xinqiang; Ren, Quan; Zhang, Guanghui; Sun, Xiangbing; Feng, Lin; Wang, Shufeng; Wang, Zhenwei

    2005-12-01

    A dmit2- salt: bis(tetrabutylammonium)bis(1,3-dithiole-2-thione-4,5-dithiolato) cadium (BCDT) was synthesized. The Optical Kerr Effect (OKE) signal of its acetone solution was measured by femtosecond optical Kerr gate technique. Using CS2 OKE signal as reference signal measured under identical conditions, the third-order optical nonlinear susceptibility, χ(3), of the sample solution was obtained to be about 1.08 × 10-13 esu at the concentration of 3.4 × 10-4 M. The second-order hyperpolarizability for BCDT molecular was estimated to be as large as 1.9 × 10-31 esu. Its response time was about 239 fs, which is believed to be the contribution from the delocalized electrons.

  12. Using Apatitic Conodont Oxygen Isotopic Values to Determine the Cause of Late Ordovician Third-Order Stratigraphic Sequences

    NASA Astrophysics Data System (ADS)

    Tyra, T. A.; Maya, E.; Atudorei, V.; Stephen, L. A.

    2007-12-01

    Recent work suggests a link between third-order (~1-5 Myr) sea-level fluctuations and climate change, even in greenhouse periods. Upper Ordovician third-order transgressive-regressive sequences are pervasive in the stratigraphic record, can be correlated worldwide (i.e. North America, Baltica, China), and ambiguous in cause. We are evaluating climate's role in third-order sea-level change by analyzing the δ18O of conodont apatite, which is a proxy for both glacio-eustasy and paleotemperature. Conodont phosphatic oxygen is a more robust repository of primary oxygen isotope values than more extensively-studied calcareous fossils, which have been extensively studied. If sea-level change is climatically-driven (glacio-eustasy and thermo-eustasy), δ18O values will decrease with sea-level rise and increase with sea-level fall. We report preliminary results from Upper Ordovician sequences in the Monitor Range of central Nevada. The six stratigraphic sequences (30m-95m thick) preserve basinal-to-outer-shelf carbonates with the youngest sequence representing the Hirnantian glaciation. We collected conodont samples at a 2-10m resolution and also determined bulk carbonate δ13C for additional chemostratigraphy. With this information, we hope to determine if glacio-eustasy has a role within the five pre-Hirnantian sequences.

  13. Study of dispersion compensation effect of femtosecond laser amplifier using home-made third-order autocorrelator

    NASA Astrophysics Data System (ADS)

    Bao, Wenxia; Zhang, Nan; Zhu, Xiaonong

    2013-12-01

    Detailed experimental and theoretical analyses of the dispersion compensation effect in a femtosecond laser amplifier are presented. It is confirmed that the temporal structures in the vicinity of the central peak of the amplified laser pulse are primarily caused by the uncompensated third- and/or fourth-order dispersion. The specific detrimental roles played by the third- and fourth-order dispersions such as resulting in the formation of asymmetrical pulse shapes and satellite pulses are revealed and experimentally verified with third-order autocorrelation measurements. With the help of a third-order autocorrelator, it is more efficient and accurate to optimize the third- and fourth-order dispersion compensation when the roundtrip times of a laser pulse inside the regenerative amplifier changes. For practical applications, in order to achieve laser pulses with highest quality, namely with minimum pulse energy in their wings, it is imperative to optimize the dispersion-control parameters while monitoring the laser pulses with a third-order autocorrelator.

  14. Investigation of third-order nonlinear optical properties of NNDC-doped PMMA thin films by Z-scan technique

    NASA Astrophysics Data System (ADS)

    Chen, Jingwei; Wang, Xinqiang; Ren, Quan; Patil, P. S.; Li, Tingbin; Yang, Hongliang; Zhang, Jingnan; Li, Guochao; Zhu, Luyi

    2011-11-01

    A novel chalcone derivative, (2 E)-1-(2,4-di- chloro-5-fluorophenyl)-3-[4-dimethylamino)phenyl]prop-2-en-1-one, abbreviated as NNDC, was prepared and characterized by elemental analyses, infrared (IR) and proton nuclear magnetic resonance (1H NMR) spectrum, and thermal analyses. The NNDC-doped poly(methyl methacrylate) (PMMA) thin films with five different doping concentrations by weight were prepared by using a spin-coating method. Their linear optical properties were investigated by using a prism coupling measuring system. The third-order nonlinear optical properties of NNDC in 1,2-dichloroethane (NNDC/1,2-dichloroethane) solution and NNDC-doped PMMA (NNDC/PMMA) films were investigated by using the laser Z-scan technique with 20 ps pulses at 532 nm. A self-focusing effect was observed from the Z-scan curves for solution and thin films and the nonlinear refractive index of the film increases with the increase of the doping concentration. In addition, nonlinear absorption was negligible for all samples. The magnitude of third-order nonlinear refraction index n 2 and the third-order nonlinear susceptibility χ (3) for thin films were 10-15 m2/W and 10-9 esu, respectively, which are about three orders larger than that of NNDC/1,2-dichloroethane solution. Some necessary analyses were presented. The results show that this material is a promising candidate for application in the nonlinear optical devices at 532 nm.

  15. Static and dynamic length scales in supercooled liquids: insights from molecular dynamics simulations of water and tri-propylene oxide.

    PubMed

    Klameth, F; Henritzi, P; Vogel, M

    2014-04-14

    We perform molecular dynamics simulations to study static and dynamic length scales in molecular supercooled liquids, in particular, water. For a determination of these scales, we use equilibrium configurations and pin appropriate subsets of molecules so as to obtain random matrices, cylindrical pores, and slit confinements. Static length scales ξ(s) are determined by analyzing overlap correlation functions for various fractions of pinned molecules or distances to the confining walls. For water in all confinements and for propylene oxide trimers in random geometry, a linear increase of ξ(s) with inverse temperature is found. Dynamic length scales ξ(d) are determined by analogous analysis of fraction-dependent or position-resolved correlation times of structural relaxation. While ξ(d) continuously grows upon cooling in the cylindrical and slit confinements, we find no evidence for a temperature dependence in random matrices, implying that molecular dynamics in parsed volumes is qualitatively different from that in bulk liquids. Finally, we study possible connections between the growth of the static and dynamic length scales and the slowdown of the structural relaxation of the supercooled bulk liquids. For water, we observe a linear relation between ln τ(α) and ξ(s)²/T in the whole accessible range down to the critical temperature of mode-coupling theory, T(c). In the weakly supercooled regime, the same relation holds also for ξ(d), as obtained from cylindrical and slit confinements, but deviations from this behavior are observed near T(c). The results are discussed in connection with random first-order theory and experimental studies of liquid dynamics in nanoscopic confinements and binary mixtures.

  16. Crystalline perfection, third-order nonlinear optical properties and optical limiting studies of 3, 4-Dimethoxy -4‧-methoxychalcone single crystal

    NASA Astrophysics Data System (ADS)

    Patil, P. S.; Maidur, Shivaraj R.; Rao, S. Venugopal; Dharmaprakash, S. M.

    2016-07-01

    Transparent good quality single crystals of organic nonlinear optical material, 3, 4-Dimethoxy -4‧-methoxychalcone (DMMC) were grown by slow evaporation solution growth technique in acetone at ambient temperature. The lattice parameters were estimated from powder X-ray diffraction. The crystalline perfection has been evaluated by high resolution X-ray diffractometry (HRXRD). The UV-vis-NIR absorption spectrum reveals that the crystal is transparent between 440 nm and 900 nm for optical applications. The fluorescence spectrum shows a peak at about 482 nm and indicates that the crystal has a blue fluorescence emission. The third order nonlinear optical properties of solution of DMMC in N, N-Dimethylformamide (DMF) solvent has been investigated using Z-scan technique with femtosecond (fs) Ti:sapphire laser pulses at 800 nm wavelength. The calculated values of nonlinear refractive index, nonlinear absorption coefficient, and the magnitude of third-order susceptibility are of the order of - 7.7×10-14cm2/W, 1.7×10-9 cm/W and 6.7×10-12 e.s.u. respectively. The two photon absorption (2PA) cross section and molecular second-order hyperpolarizability values obtained is of the order of 10-49 cm4 s/photon/molecule and 2.8×10-31 e.s.u. respectively. The crystal shows optical-limiting (OL) effects for femtosecond laser pulses at 800 nm. The results suggest that the nonlinear properties investigated for DMMC are comparable with some of the reported chalcone derivatives and can be desirable for nonlinear optical applications.

  17. Efficient split field FDTD analysis of third-order nonlinear materials in two-dimensionally periodic media

    NASA Astrophysics Data System (ADS)

    Francés, Jorge; Bleda, Sergio; Bej, Subhajit; Tervo, Jani; Navarro-Fuster, Víctor; Fenoll, Sandra; Martínez-Gaurdiola, Francisco J.; Neipp, Cristian

    2016-04-01

    In this work the split-field finite-difference time-domain method (SF-FDTD) has been extended for the analysis of two-dimensionally periodic structures with third-order nonlinear media. The accuracy of the method is verified by comparisons with the nonlinear Fourier Modal Method (FMM). Once the formalism has been validated, examples of one- and two-dimensional nonlinear gratings are analysed. Regarding the 2D case, the shifting in resonant waveguides is corroborated. Here, not only the scalar Kerr effect is considered, the tensorial nature of the third-order nonlinear susceptibility is also included. The consideration of nonlinear materials in this kind of devices permits to design tunable devices such as variable band filters. However, the third-order nonlinear susceptibility is usually small and high intensities are needed in order to trigger the nonlinear effect. Here, a one-dimensional CBG is analysed in both linear and nonlinear regime and the shifting of the resonance peaks in both TE and TM are achieved numerically. The application of a numerical method based on the finite- difference time-domain method permits to analyse this issue from the time domain, thus bistability curves are also computed by means of the numerical method. These curves show how the nonlinear effect modifies the properties of the structure as a function of variable input pump field. When taking the nonlinear behaviour into account, the estimation of the electric field components becomes more challenging. In this paper, we present a set of acceleration strategies based on parallel software and hardware solutions.

  18. Investigation on second and third order nonlinear optical, phase matching and birefringence properties of γ-glycine single crystals

    NASA Astrophysics Data System (ADS)

    Peramaiyan, G.; Pandi, P.; Jayaramakrishnan, V.; Das, Subhasis; Mohan Kumar, R.

    2012-12-01

    Optical quality γ-glycine single crystal of dimension 9 × 9 × 8 mm3 has been grown by slow cooling method in the presence of lithium nitrate. The third order nonlinear refractive index and nonlinear absorption coefficient of the grown crystal were measured by Z-scan studies. The dispersion of birefringence behaviour was studied by modified channelled spectrum method. The relative second harmonic generation efficiency of grown crystal was measured by Kurtz and Perry technique and phase matching angle was also measured using Nd:YAG laser.

  19. Two novel bi-functional hybrid materials constructed from POMs and a Schiff base with excellent third-order NLO and catalytic properties.

    PubMed

    Hu, Gonghao; Miao, Hao; Mei, Hua; Zhou, Shuai; Xu, Yan

    2016-05-10

    The first polyoxometalates modified by a porphyrin-resembling planar Schiff base have been successfully designed and synthesized under hydrothermal conditions. The third-order NLO responses indicated that they are excellent third-order NLO materials. Their catalytic performances are also investigated.

  20. Two novel bi-functional hybrid materials constructed from POMs and a Schiff base with excellent third-order NLO and catalytic properties.

    PubMed

    Hu, Gonghao; Miao, Hao; Mei, Hua; Zhou, Shuai; Xu, Yan

    2016-05-10

    The first polyoxometalates modified by a porphyrin-resembling planar Schiff base have been successfully designed and synthesized under hydrothermal conditions. The third-order NLO responses indicated that they are excellent third-order NLO materials. Their catalytic performances are also investigated. PMID:27117492

  1. Calculated Third Order Rate Constants for Interpreting the Mechanisms of Hydrolyses of Chloroformates, Carboxylic Acid Halides, Sulfonyl Chlorides and Phosphorochloridates

    PubMed Central

    Bentley, T. William

    2015-01-01

    Hydrolyses of acid derivatives (e.g., carboxylic acid chlorides and fluorides, fluoro- and chloroformates, sulfonyl chlorides, phosphorochloridates, anhydrides) exhibit pseudo-first order kinetics. Reaction mechanisms vary from those involving a cationic intermediate (SN1) to concerted SN2 processes, and further to third order reactions, in which one solvent molecule acts as the attacking nucleophile and a second molecule acts as a general base catalyst. A unified framework is discussed, in which there are two reaction channels—an SN1-SN2 spectrum and an SN2-SN3 spectrum. Third order rate constants (k3) are calculated for solvolytic reactions in a wide range of compositions of acetone-water mixtures, and are shown to be either approximately constant or correlated with the Grunwald-Winstein Y parameter. These data and kinetic solvent isotope effects, provide the experimental evidence for the SN2-SN3 spectrum (e.g., for chloro- and fluoroformates, chloroacetyl chloride, p-nitrobenzoyl p-toluenesulfonate, sulfonyl chlorides). Deviations from linearity lead to U- or V-shaped plots, which assist in the identification of the point at which the reaction channel changes from SN2-SN3 to SN1-SN2 (e.g., for benzoyl chloride). PMID:26006228

  2. Linear Optical and Third-Order Nonlinear Optical Properties of Some Fluorenyl- and Triarylamine-Containing Tetracyanobutadiene Derivatives.

    PubMed

    Pokladek, Ziemowit; Ripoche, Nicolas; Betou, Marie; Trolez, Yann; Mongin, Olivier; Olesiak-Banska, Joanna; Matczyszyn, Katarzyna; Samoc, Marek; Humphrey, Mark G; Blanchard-Desce, Mireille; Paul, Frédéric

    2016-07-11

    The synthesis and characterization of four new tetracyanobutadiene (TCBD) derivatives (1-3 and 2') incorporating 2- or 2,7-fluorenyl and diphenylamino moieties are reported. The electroactivity of 1-3 and 2' was studied by cyclic voltammetry (CV), while the linear optical and (third-order) nonlinear optical (NLO) properties were investigated by electronic spectroscopy and Z-scan studies, respectively. All experimental investigations were rationalized by DFT computations, providing an insight into the electronic structure of these derivatives and on their application potential. We show that these derivatives are nonluminescent in solution at ambient temperatures, but become fluorescent in solvent glasses. This finding constitutes an unprecedented observation for TCBD derivatives. Also, we show by Z-scan studies that these derivatives behave as two-photon absorbers in the near-IR range (800-1050 nm). These third-order NLO properties are discussed and compared with those of their alkynyl precursors (4-6), which have been investigated by two-photon excited fluorescence (TPEF). PMID:27297358

  3. Reverse saturable absorption studies in polymerized indole - Effect of polymerization in the phenomenal enhancement of third order optical nonlinearity

    NASA Astrophysics Data System (ADS)

    Jayakrishnan, K.; Joseph, Antony; Bhattathiripad, Jayakrishnan; Ramesan, M. T.; Chandrasekharan, K.; Siji Narendran, N. K.

    2016-04-01

    We report our results on the identification of large order enhancement in nonlinear optical coefficients of polymerized indole and its comparative study with reference to its monomer counterpart. Indole monomer shows virtually little third order effects whereas its polymerized version exhibits phenomenal increase in its third order nonlinear optical parameters such as nonlinear refractive index and nonlinear absorption. Open aperture Z-scan trace of polyindole done with Q-switched Nd:YAG laser source (532 nm, 7 ns), shows β value as high as 89 cm/GW at a beam energy of 0.83 GW/cm2. Closed aperture Z-scan done at identical energies reveals nonlinear refractive index of the order of -3.55 × 10-17 m2/W. Band gap measurement of polyindole was done with UV-Vis absorption spectra and compared with that of Indole. FTIR spectra of the monomer and polymerized versions were recorded and relevant bond formations were confirmed from the characteristic peaks. Photo luminescent spectra were investigated to know the emission features of both molecules. Beam energy (I0) versus nonlinear absorption coefficient (β) plot indicates reverse saturable type of absorption behaviour in polyindole molecules. Degenerate Four Wave Mixing (DFWM) plot of polyindole reveals quite a cubic dependence between probe and phase conjugate signal and the resulting χ(3) is comparable with Z-scan results. Optical limiting efficiency of polyindole is comparable with certain derivatives of porphyrins, phthalocyanines and graphene oxides.

  4. Growth and characterization of a single crystal of Urea Adipic acid (UAA) - A third order nonlinear optical material

    NASA Astrophysics Data System (ADS)

    Shanthi, A.; Krishnan, C.; Selvarajan, P.

    2014-03-01

    An organic single crystal of Urea Adipic acid (UAA) was successfully grown in methanol solvent by slow solvent evaporation technique at room temperature (30 °C). The structure of grown crystal was elucidated from the X-ray diffraction study and it belongs to monoclinic system with centrosymmetric space group P21/c. The optical transmission spectrum of UAA has been recorded and its theoretical calculations were carried out to determine the linear optical constants such as linear absorption coefficient, extinction coefficient, refractive index and reflectance etc. The third-order nonlinearities of UAA crystal have been investigated by Z-scan method. The values of nonlinear refractive index (n2), the absorption coefficient (β) and third-order nonlinear susceptibility (χ(3)) are found to be the order of 0.96 × 10-10 cm2/W, 1.248 × 10-4 cm/W and 6.44 × 10-8 esu respectively. Fourier Transform Infra Red and Raman spectroscopy studies reveal the intermolecular interactions present in the UAA sample. The dielectric and mechanical measurements of the title compound are also reported.

  5. Third-order Middle Miocene-Early Pliocene depositional sequences in the prograding delta complex of the Pannonian Basin

    USGS Publications Warehouse

    Vakarcs, G.; Vail, P.R.; Tari, G.; Pogácsás, Gy.; Mattick, R.E.; Szabo, A.

    1994-01-01

    Few studies exist in the geologic literature that show the distribution of seismic facies and depositional sequences within a lacustrine basin. The Pannonian Basin of Central Europe offers a unique opportunity to evaluate the influence of the eustatic signal on lacustrine deposition. Seismic stratigraphie and sedimentological studies indicate that the Middle Miocene-Early Pliocene infill of the transtensional Pannonian Basin was formed by large delta systems. Systematic sequence stratigraphie analysis of 6000 km of reflection seismic data and more than 100 hydrocarbon exploration wells in Hungary allowed the identification of twelve third-order sequence boundaries in the late Neogene sedimentary fill. This number of depositional sequences corresponds to that of the published global eustatic curve for this time period. Furthermore, based on magnetostratigraphic and radiometric data, the ages of these depositional sequences can be tentatively correlated with the global eustatic curve. The Pannonian Basin became isolated from the world sea at the Sarmatian/Pannonian (11.5 Ma) boundary and formed a large lake. The stratal patterns and sedimentary facies of individual systems tracts within the lacustrine sequences display the same characteristics as marine depositional sequences. The relatively low rate of thermal subsidence and the high rate of sediment supply resulted in a good sequence resolution. Within the third-order sequences higher-order sequences can be recognized with an average duration of about 0.1-0.5 Ma. ?? 1994.

  6. Synthesis of "cactus" top-decorated aligned carbon nanotubes and their third-order nonlinear optical properties.

    PubMed

    Li, P H; Qu, Y L; Xu, X J; Zhu, Y W; Yu, T; Chin, K C; Mi, J; Gao, X Y; Lim, C T; Shen, Z X; Wee, A T S; Ji, W; Sow, C H

    2006-04-01

    We report a new morphology of "cactus" top-decorated aligned carbon nanotubes grown by the PECVD method using pure C2H2 gas. Unlike most previous reports, no additional carrier gas is used for pretreatment. Carbon nanotubes can still grow and maintain the tubular structure underneath the "cactus" tops. It is proposed that the H atoms produced by the dissociation of C2H2 activate the catalyst nanoparticles. Scanning electron microscopy (SEM) shows that the top "cactus" morphology is composed of a large quantity of small nanosheets. Transmission electron microscopy (TEM) reveals the amorphous carbon nature of these "cactus" structures. The formation of these "cactus" structures is possibly due to covalent absorption and reconstruction of carbon atoms on the broken graphite layers of nanotubes produced by the strong ion bombardment under plasma. The third-order optical nonlinearities and nonlinear dynamics are also investigated. The third-order nonlinear susceptibility magnitude /chi(3)/ is found to be 2.2 x 10(-11) esu, and the relaxation process takes place in about 1.8 ps. PMID:16736755

  7. Size effects of 109° domain walls in rhombohedral barium titanate single crystals—A molecular statics analysis

    NASA Astrophysics Data System (ADS)

    Endres, Florian; Steinmann, Paul

    2016-01-01

    Ferroelectric functional materials are of great interest in science and technology due to their electromechanically coupled material properties. Therefore, ferroelectrics, such as barium titanate, are modeled and simulated at the continuum scale as well as at the atomistic scale. Due to recent advancements in related manufacturing technologies the modeling and simulation of smart materials at the nanometer length scale is getting more important not only to predict but also fundamentally understand the complex material behavior of such materials. In this study, we analyze the size effects of 109° nanodomain walls in ferroelectric barium titanate single crystals in the rhombohedral phase using a recently proposed extended molecular statics algorithm. We study the impact of domain thicknesses on the spontaneous polarization, the coercive field, and the lattice constants. Moreover, we discuss how the electromechanical coupling of an applied electric field and the introduced strain in the converse piezoelectric effect is affected by the thickness of nanodomains.

  8. Static Properties and Stark Effect of the Ground State of the HD Molecular Ion

    NASA Technical Reports Server (NTRS)

    Bhatia, A. K.; Drachman, Richard J.

    1999-01-01

    We have calculated static properties of the ground state of the HD(+) ion and its lowest-lying P-state without making use of the Born-Oppenheimer approximation, as was done in the case of H2(+) and D2(+) [Phys. Rev. A 58, 2787 (1998)]. The ion is treated as a three-body system whose ground state is spherically symmetric. The wavefunction is of generalized Hylleraas type, but it is necessary to include high powers of the internuclear distance to localize the nuclear motion. We obtain good values of the energies of the ground S-state and lowest P-state and compare them with earlier calculations. Expectation values are obtained for various operators, the Fermi contact parameters, and the permanent quadrupole moment. The cusp conditions are also calculated. The polarizability was then calculated using second-order perturbation theory with intermediate P pseudostates. Since the nuclei in HD(+) are not of equal mass there is dipole coupling between the lowest two rotational states, which are almost degenerate. This situation is carefully analyzed, and the Stark shift is calculated variationally as a function of the applied electric field.

  9. Molecularly engineered surfaces for cell biology: from static to dynamic surfaces.

    PubMed

    Gooding, J Justin; Parker, Stephen G; Lu, Yong; Gaus, Katharina

    2014-04-01

    Surfaces with a well-defined presentation of ligands for receptors on the cell membrane can serve as models of the extracellular matrix for studying cell adhesion or as model cell surfaces for exploring cell-cell contacts. Because such surfaces can provide exquisite control over, for example, the density of these ligands or when the ligands are presented to the cell, they provide a very precise strategy for understanding the mechanisms by which cells respond to external adhesive cues. In the present feature article, we present an overview of the basic biology of cell adhesion before discussing surfaces that have a static presentation of immobile ligands. We outline the biological information that such surfaces have given us, before progressing to recently developed switchable surfaces and surfaces that mimic the lipid bilayer, having adhesive ligands that can move around the membrane and be remodeled by the cell. Finally, the feature article closes with some of the biological information that these new types of surfaces could provide.

  10. Static and dynamic properties of model elastomer with various cross-linking densities: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Liu, Jun; Cao, Dapeng; Zhang, Liqun

    2009-07-01

    The effects of the cross-linking density on the static and dynamic properties of polymer networks are examined by using a molecular dynamics simulation based on a simple elastomer model. Simulation results indicate that the introduced cross-linking junctions show almost no effect on the static structure factor. The glass transition temperature Tg increases slightly with the cross-linking density. By analyzing the mean square displacement of the monomers, the chain diffusion, and the incoherent intermediate dynamic structure factor ϕqs(t) at the chain and segmental length scales, it is found that the mobilities of the monomers and chains are retarded and the relaxation behavior is hindered by the cross linking of polymers. Furthermore, the spatial localization of the monomers is also observed at a long time period for a highly cross-linked system. For the cross-linked system, the time-temperature superposition principle is valid at the segmental length scale but breaks down at the chain length scale. The effect of the cross-linking density on the terminal relaxation is investigated by the end-to-end vector correlation, which is well fitted to the Kohlrauch-William-Watts (KWW) or modified KWW functions. The characteristic relaxation time shows an approximately linear relationship with the cross-linking density. It is demonstrated that the relaxation behavior tends to broaden, attributed to the stronger intermolecular coupling or cooperativity induced by the cross linking, suggesting that the system with a higher cross-linking degree becomes more fragile. For the dynamic properties, the bond orientation and the end-to-end distance along the deformed direction, which is an indicator of the entropic change, and the nonbonded energy are examined during the deformation and relaxation processes, respectively. The results explore the molecular mechanism accounting for the residual stress in the stress relaxation of cross-linked elastomer networks.

  11. Static and dynamic properties of model elastomer with various cross-linking densities: a molecular dynamics study.

    PubMed

    Liu, Jun; Cao, Dapeng; Zhang, Liqun

    2009-07-21

    The effects of the cross-linking density on the static and dynamic properties of polymer networks are examined by using a molecular dynamics simulation based on a simple elastomer model. Simulation results indicate that the introduced cross-linking junctions show almost no effect on the static structure factor. The glass transition temperature T(g) increases slightly with the cross-linking density. By analyzing the mean square displacement of the monomers, the chain diffusion, and the incoherent intermediate dynamic structure factor phi(q)(s)(t) at the chain and segmental length scales, it is found that the mobilities of the monomers and chains are retarded and the relaxation behavior is hindered by the cross linking of polymers. Furthermore, the spatial localization of the monomers is also observed at a long time period for a highly cross-linked system. For the cross-linked system, the time-temperature superposition principle is valid at the segmental length scale but breaks down at the chain length scale. The effect of the cross-linking density on the terminal relaxation is investigated by the end-to-end vector correlation, which is well fitted to the Kohlrauch-William-Watts (KWW) or modified KWW functions. The characteristic relaxation time shows an approximately linear relationship with the cross-linking density. It is demonstrated that the relaxation behavior tends to broaden, attributed to the stronger intermolecular coupling or cooperativity induced by the cross linking, suggesting that the system with a higher cross-linking degree becomes more fragile. For the dynamic properties, the bond orientation and the end-to-end distance along the deformed direction, which is an indicator of the entropic change, and the nonbonded energy are examined during the deformation and relaxation processes, respectively. The results explore the molecular mechanism accounting for the residual stress in the stress relaxation of cross-linked elastomer networks. PMID:19624229

  12. Parameter passing between molecular dynamics and continuum models for droplets on solid substrates: the static case.

    PubMed

    Tretyakov, Nikita; Müller, Marcus; Todorova, Desislava; Thiele, Uwe

    2013-02-14

    We study equilibrium properties of polymer films and droplets on a solid substrate employing particle-based simulation techniques (molecular dynamics) and a continuum description. Parameter-passing techniques are explored that facilitate a detailed comparison of the two models. In particular, the liquid-vapor, solid-liquid, and solid-vapor interface tensions, and the Derjaguin or disjoining pressure are determined by molecular dynamics simulations. This information is then introduced into continuum descriptions accounting for (i) the full curvature and (ii) a long-wave approximation of the curvature (thin film model). A comparison of the dependence of the contact angle on droplet size indicates that the theories agree well if the contact angles are defined in a compatible manner. PMID:23425491

  13. Simultaneous second- and third- order spectral phase control of Ti:sapphire laser pulses using achromatic doublet prisms.

    PubMed

    Mueller, Alexander; Fuerbach, Alexander

    2016-03-20

    The standard technique commonly utilized to introduce large amounts of negative group delay dispersion (GDD) into the beam path of ultrashort laser pulses with low insertion losses is the use of a pair of prisms in a double pass configuration. However, one disadvantage of this approach is the unavoidable introduction of additional high-order spectral phase errors, most notably third-order dispersion (TOD) due to the characteristics of the refractive index of available optical materials. In this paper we provide an overview of the dispersive properties of more than 100 common types of optical glasses, used either as a bulk stretcher or in a prism compressor configuration. In addition, we present a novel method that enables independent control of GDD and TOD in a prism-only setup. The performance of different prism combinations is analyzed numerically, and design guidelines are given. PMID:27140563

  14. Third-order spontaneous parametric down-conversion in thin optical fibers as a photon-triplet source

    SciTech Connect

    Corona, Maria; Garay-Palmett, Karina; U'Ren, Alfred B.

    2011-09-15

    We study the third-order spontaneous parametric down-conversion (TOSPDC) process, as a means to generate entangled photon triplets. Specifically, we consider thin optical fibers as the nonlinear medium to be used as the basis for TOSPDC in configurations where phase matching is attained through the use of more than one fiber transverse modes. Our analysis in this paper, which follows from our earlier paper [Opt. Lett. 36, 190-192 (2011)], aims to supply experimentalists with the details required in order to design a TOSPDC photon-triplet source. Specifically, our analysis focuses on the photon triplet state, on the rate of emission, and on the TOSPDC phase-matching characteristics for the cases of frequency-degenerate and frequency nondegenerate TOSPDC.

  15. Large third-order optical nonlinearity in Au:SiO{sub 2} composite films near the percolation threshold

    SciTech Connect

    Liao, H.B.; Xiao, R.F.; Fu, J.S.; Yu, P.; Wong, G.K.; Sheng, P.

    1997-01-01

    Very large third-order optical nonlinearity, {chi}{sup (3)}{approximately}2.5{times}10{sup {minus}6} esu, measured by a degenerate four wave mixing method using a short pulse (70 picosecond) laser, has been found in the rapid-thermal annealed Au:SiO{sub 2} composite films at concentrations below the Au percolation threshold. The dependence of the {chi}{sup (3)} on Au concentration, p, follows a cubic power law. The maximum figure of merit, {chi}{sup (3)}/{alpha} (with {alpha} being the absorption coefficient) is about 10{sup {minus}11} esu cm. We explain this result as due to local field enhancement arising from the Mie resonance of the Au nanoclusters, with strong interaction between the nanoclusters further promoting the effect. {copyright} {ital 1997 American Institute of Physics.}

  16. Third-order-accurate numerical methods for efficient, large time-step solutions of mixed linear and nonlinear problems

    SciTech Connect

    Cobb, J.W.

    1995-02-01

    There is an increasing need for more accurate numerical methods for large-scale nonlinear magneto-fluid turbulence calculations. These methods should not only increase the current state of the art in terms of accuracy, but should also continue to optimize other desired properties such as simplicity, minimized computation, minimized memory requirements, and robust stability. This includes the ability to stably solve stiff problems with long time-steps. This work discusses a general methodology for deriving higher-order numerical methods. It also discusses how the selection of various choices can affect the desired properties. The explicit discussion focuses on third-order Runge-Kutta methods, including general solutions and five examples. The study investigates the linear numerical analysis of these methods, including their accuracy, general stability, and stiff stability. Additional appendices discuss linear multistep methods, discuss directions for further work, and exhibit numerical analysis results for some other commonly used lower-order methods.

  17. Third-order correlation function and ghost imaging of chaotic thermal light in the photon counting regime

    SciTech Connect

    Zhou Yu; Simon, Jason; Liu Jianbin; Shih, Yanhua

    2010-04-15

    In a near-field three-photon correlation measurement, we observed the third-order temporal and spatial correlation functions of chaotic thermal light in the single-photon counting regime. In the study, we found that the probability of jointly detecting three randomly radiated photons from a chaotic thermal source by three individual detectors is 6 times greater if the photodetection events fall in the coherence time and coherence area of the radiation field than if they do not. From the viewpoint of quantum mechanics, the observed phenomenon is the result of three-photon interference. By making use of this property, we measured the three-photon thermal light lensless ghost image of a double spot and achieved higher visibility compared with the two-photon thermal light ghost image.

  18. Investigation of the third-order nonlinear property of Ge-Se-Te glasses at mid-infrared

    NASA Astrophysics Data System (ADS)

    Sun, Lihong; Chen, Feifei; Xu, Yinsheng; Huang, Yicong; Liu, Shuo; Zhao, Zheming; Wang, Xunsi; Zhang, Peiqing; Dai, Shixun; Zhang, Xianghua

    2016-09-01

    In this study, a series of Ge20Te x Se(80- x) ( x = 0, 5, 10, 20, 30, 60, 70) chalcogenide glasses were prepared using conventional melt-quenching technique. Through absorption spectra analysis, the optical Tauc gaps were derived in detail along the increase in the Te content which can be supported by structural changing of glass network shown by Raman spectra. The third-order optical nonlinearity of the glasses at mid-infrared wavelength of 3.1 μm was investigated by traditional Z-scan method. The nonlinear refractive index of the glasses increased with the increase in the Te content, typically the measured nonlinear refractive index of Ge20Se50Te30 glass increased to 8.2 ± 1.2 × 10-18 m2/W. The relationship between the nonlinear refractive index and the optical band gap was analyzed.

  19. Third order maximum-principle-satisfying direct discontinuous Galerkin methods for time dependent convection diffusion equations on unstructured triangular meshes

    DOE PAGES

    Chen, Zheng; Huang, Hongying; Yan, Jue

    2015-12-21

    We develop 3rd order maximum-principle-satisfying direct discontinuous Galerkin methods [8], [9], [19] and [21] for convection diffusion equations on unstructured triangular mesh. We carefully calculate the normal derivative numerical flux across element edges and prove that, with proper choice of parameter pair (β0,β1) in the numerical flux formula, the quadratic polynomial solution satisfies strict maximum principle. The polynomial solution is bounded within the given range and third order accuracy is maintained. There is no geometric restriction on the meshes and obtuse triangles are allowed in the partition. As a result, a sequence of numerical examples are carried out to demonstratemore » the accuracy and capability of the maximum-principle-satisfying limiter.« less

  20. Simultaneous second- and third- order spectral phase control of Ti:sapphire laser pulses using achromatic doublet prisms.

    PubMed

    Mueller, Alexander; Fuerbach, Alexander

    2016-03-20

    The standard technique commonly utilized to introduce large amounts of negative group delay dispersion (GDD) into the beam path of ultrashort laser pulses with low insertion losses is the use of a pair of prisms in a double pass configuration. However, one disadvantage of this approach is the unavoidable introduction of additional high-order spectral phase errors, most notably third-order dispersion (TOD) due to the characteristics of the refractive index of available optical materials. In this paper we provide an overview of the dispersive properties of more than 100 common types of optical glasses, used either as a bulk stretcher or in a prism compressor configuration. In addition, we present a novel method that enables independent control of GDD and TOD in a prism-only setup. The performance of different prism combinations is analyzed numerically, and design guidelines are given.

  1. Discussion about generation mechanisms of third-order nonlinear signals in surface acoustic wave resonators based on simulation

    NASA Astrophysics Data System (ADS)

    Nakagawa, Ryo; Suzuki, Takanao; Shimizu, Hiroshi; Kyoya, Haruki; Nako, Katsuhiro; Hashimoto, Ken-ya

    2016-07-01

    In this paper, we discuss the generation mechanisms of third-order nonlinearity in surface acoustic wave (SAW) devices on the basis of simulation results, which are obtained by a proposed method for this discussion. First, eight nonlinear terms are introduced to the piezoelectric constitutive equations, and nonlinear stress and electric flux fields are estimated using linear strain and electric fields calculated by a linear analysis, i.e., the coupling of mode simulation. Then, their contributions are embedded as voltage and current sources, respectively, in an equivalent circuit model, and nonlinear signals appearing at external ports are estimated. It is shown that eight coefficients of the nonlinear terms can be determined from a series of experiments carried out at various driving and resulting frequencies. This is because the effect of each nonlinear term on the nonlinear signal outputs changes markedly with the conditions. When the coefficients are determined properly, the simulations agree well with some measurement results under various conditions.

  2. Third-order nonlinear optical response of indigo carmine under 633 nm excitation for nonlinear optical applications

    NASA Astrophysics Data System (ADS)

    Pramodini, S.; Poornesh, P.

    2014-11-01

    We report thermally induced third-order nonlinearity and optical limiting behaviour of Indigo Carmine dye. z-Scan technique was used to determine the sign and magnitude of absorptive and refractive nonlinearities. Continuous wave (CW) He-Ne laser operating at 633 nm was used as source of excitation. In open aperture z-scan experiments, samples exhibited reverse saturable absorption (RSA) process. For closed aperture z-scan experiments, samples revealed self-defocusing property. The presence of donor and acceptor groups in the structure increases the conjugation length and in turn increases the optical nonlinearity. Induced self-diffraction rings pattern was recorded for the samples and it is attributed to refractive index change and thermal lensing. Also, optical limiting and clamping studies were carried out for various input power. Optical clamping of about ~1 mW was observed. This endorses that the dye under investigation is a positive candidate for opto-electronic and photonic applications.

  3. Third order maximum-principle-satisfying direct discontinuous Galerkin methods for time dependent convection diffusion equations on unstructured triangular meshes

    SciTech Connect

    Chen, Zheng; Huang, Hongying; Yan, Jue

    2015-12-21

    We develop 3rd order maximum-principle-satisfying direct discontinuous Galerkin methods [8], [9], [19] and [21] for convection diffusion equations on unstructured triangular mesh. We carefully calculate the normal derivative numerical flux across element edges and prove that, with proper choice of parameter pair (β01) in the numerical flux formula, the quadratic polynomial solution satisfies strict maximum principle. The polynomial solution is bounded within the given range and third order accuracy is maintained. There is no geometric restriction on the meshes and obtuse triangles are allowed in the partition. As a result, a sequence of numerical examples are carried out to demonstrate the accuracy and capability of the maximum-principle-satisfying limiter.

  4. A clock steering method: using a third-order type 3 DPLL equivalent to a Kalman filter with a delay

    NASA Astrophysics Data System (ADS)

    Wu, Yiwei; Gong, Hang; Zhu, Xiangwei; Ou, Gang

    2015-12-01

    In this paper we propose a new clock steering method, which uses a third-order type 3 digital phase locked loop (DPLL) which is equivalent to a Kalman filter with a delay. A general overview of the theoretical framework is described in detail including the transfer functions, the structure and control values, the specifications, and the approach to choosing a parameter. Simulations show that the performance of the time and frequency steering errors and the frequency stability are quite desirable. Comparing with traditional clock steering methods, it is easier to work with just one parameter. The DPLL method satisfies the requirements of generating a local representation of universal time coordinated and the system time of a global navigation satellite system.

  5. Crystal structure, growth and characterizations of a novel organic third-order nonlinear optical crystal: guanidinium cinnamate

    NASA Astrophysics Data System (ADS)

    Dhavamurthy, M.; Raja, R.; Syed Suresh Babu, K.; Mohan, R.

    2016-08-01

    Guanidinium cinnamate (GUCN), a single crystal, was grown by slow evaporation technique. Single-crystal X-ray diffraction study revealed that GUCN crystal belongs to monoclinic crystal system with the space group P21/c. Thermal studies revealed that the GUCN is thermally stable up to 238 °C. The optical transmittance studies were carried out for the crystal, and the lower cutoff wavelength of the grown crystal was observed at 322 nm. The luminescent study showed that the GUCN crystal has high degree of luminescence. Third-order nonlinear refractive index n2, nonlinear absorption coefficient β and susceptibility χ(3) parameters were estimated by Z-scan technique. The four independent tensor coefficients ɛ11, ɛ22, ɛ33 and ɛ13 of dielectric permittivities for monoclinic GUCN were calculated. The mechanical properties of the grown crystals were studied using Vickers micro-hardness tester at different planes.

  6. Soft X-Ray Microscopy at HZB: Zone Plate Development and Imaging Using the Third Order of Diffraction

    NASA Astrophysics Data System (ADS)

    Rehbein, S.; Guttmann, P.; Werner, S.; Schneider, G.

    2011-09-01

    The Helmholtz-Zentrum Berlin (HZB) operates a transmission x-ray microscope (TXM) in the soft x-ray photon energy range with an energy resolution up to E/ΔE = 104 [1]. An approach to achieve ultrahigh spatial resolution with conventional, standard zone plate optics is to employ higher orders of diffraction of the zone plate objective [2]. In this paper, we demonstrate that 11-nm lines and spaces of a multilayer test structure are clearly resolved by the x-ray microscope using the third order of diffraction of a zone plate objective with 20-nm outermost zone width. The disadvantage of high-order imaging is an about one order of magnitude lower diffraction efficiency of the used zone plates employed in the third order compared to the first order of diffraction. In addition, the measured background signal in the TXM images is no longer negligible. Therefore, we worked on the fabrication of zone plates with sub-20-nm outermost zone width to increase the spatial resolution in the first order of diffraction. A new high-resolution 100-keV e-beam lithography system from VISTEC, which was recently installed at the Helmholtz-Zentrum Berlin, makes these developments possible. Initial results on zone plates with an outermost zone width down to 15 nm exposed with the new e-beam system are presented. Furthermore, the contrast transfer function of the transmission x-ray microscope operating in partial coherence mode is measured by using the first and third diffraction order of the zone plate objective.

  7. Soft X-Ray Microscopy at HZB: Zone Plate Development and Imaging Using the Third Order of Diffraction

    SciTech Connect

    Rehbein, S.; Guttmann, P.; Werner, S.; Schneider, G.

    2011-09-09

    The Helmholtz-Zentrum Berlin (HZB) operates a transmission x-ray microscope (TXM) in the soft x-ray photon energy range with an energy resolution up to E/{Delta}E = 10{sup 4}. An approach to achieve ultrahigh spatial resolution with conventional, standard zone plate optics is to employ higher orders of diffraction of the zone plate objective. In this paper, we demonstrate that 11-nm lines and spaces of a multilayer test structure are clearly resolved by the x-ray microscope using the third order of diffraction of a zone plate objective with 20-nm outermost zone width. The disadvantage of high-order imaging is an about one order of magnitude lower diffraction efficiency of the used zone plates employed in the third order compared to the first order of diffraction. In addition, the measured background signal in the TXM images is no longer negligible. Therefore, we worked on the fabrication of zone plates with sub-20-nm outermost zone width to increase the spatial resolution in the first order of diffraction. A new high-resolution 100-keV e-beam lithography system from VISTEC, which was recently installed at the Helmholtz-Zentrum Berlin, makes these developments possible. Initial results on zone plates with an outermost zone width down to 15 nm exposed with the new e-beam system are presented. Furthermore, the contrast transfer function of the transmission x-ray microscope operating in partial coherence mode is measured by using the first and third diffraction order of the zone plate objective.

  8. Nonlinear elastic response of strong solids: First-principles calculations of the third-order elastic constants of diamond

    DOE PAGES

    Hmiel, A.; Winey, J. M.; Gupta, Y. M.; Desjarlais, M. P.

    2016-05-23

    Accurate theoretical calculations of the nonlinear elastic response of strong solids (e.g., diamond) constitute a fundamental and important scientific need for understanding the response of such materials and for exploring the potential synthesis and design of novel solids. However, without corresponding experimental data, it is difficult to select between predictions from different theoretical methods. Recently the complete set of third-order elastic constants (TOECs) for diamond was determined experimentally, and the validity of various theoretical approaches to calculate the same may now be assessed. We report on the use of density functional theory (DFT) methods to calculate the six third-order elasticmore » constants of diamond. Two different approaches based on homogeneous deformations were used: (1) an energy-strain fitting approach using a prescribed set of deformations, and (2) a longitudinal stress-strain fitting approach using uniaxial compressive strains along the [100], [110], and [111] directions, together with calculated pressure derivatives of the second-order elastic constants. The latter approach provides a direct comparison to the experimental results. The TOECs calculated using the energy-strain approach differ significantly from the measured TOECs. In contrast, calculations using the longitudinal stress-uniaxial strain approach show good agreement with the measured TOECs and match the experimental values significantly better than the TOECs reported in previous theoretical studies. Lastly, our results on diamond have demonstrated that, with proper analysis procedures, first-principles calculations can indeed be used to accurately calculate the TOECs of strong solids.« less

  9. Using bifurcations in the determination of lock-in ranges for third-order phase-locked loops

    NASA Astrophysics Data System (ADS)

    Piqueira, José Roberto Castilho

    2009-05-01

    Transmission and switching in digital telecommunication networks require distribution of precise time signals among the nodes. Commercial systems usually adopt a master-slave (MS) clock distribution strategy building slave nodes with phase-locked loop (PLL) circuits. PLLs are responsible for synchronizing their local oscillations with signals from master nodes, providing reliable clocks in all nodes. The dynamics of a PLL is described by an ordinary nonlinear differential equation, with order one plus the order of its internal linear low-pass filter. Second-order loops are commonly used because their synchronous state is asymptotically stable and the lock-in range and design parameters are expressed by a linear equivalent system [Gardner FM. Phaselock techniques. New York: John Wiley & Sons; 1979]. In spite of being simple and robust, second-order PLLs frequently present double-frequency terms in PD output and it is very difficult to adapt a first-order filter in order to cut off these components [Piqueira JRC, Monteiro LHA. Considering second-harmonic terms in the operation of the phase detector for second order phase-locked loop. IEEE Trans Circuits Syst I 2003;50(6):805-9; Piqueira JRC, Monteiro LHA. All-pole phase-locked loops: calculating lock-in range by using Evan's root-locus. Int J Control 2006;79(7):822-9]. Consequently, higher-order filters are used, resulting in nonlinear loops with order greater than 2. Such systems, due to high order and nonlinear terms, depending on parameters combinations, can present some undesirable behaviors, resulting from bifurcations, as error oscillation and chaos, decreasing synchronization ranges. In this work, we consider a second-order Sallen-Key loop filter [van Valkenburg ME. Analog filter design. New York: Holt, Rinehart & Winston; 1982] implying a third order PLL. The resulting lock-in range of the third-order PLL is determined by two bifurcation conditions: a saddle-node and a Hopf.

  10. Solvent effect on the third order optical nonlinearity and optical limiting ability of betanin natural dye extracted from red beet root

    NASA Astrophysics Data System (ADS)

    Thankappan, Aparna; Thomas, Sheenu; Nampoori, V. P. N.

    2013-10-01

    We report on the solvent effect on the third order optical nonlinearity of betanin natural dye extracted from red beet root and their third order nonlinear optical (NLO) properties have been studied using a Q-switched Nd:YAG laser at 532 nm. The third order nonlinearity of these samples are dominated by nonlinear absorption, which leads to strong optical limiting and their strength is influenced by the solvent used, suggesting that betanin natural dyes are promising candidate for the development of photonic nonlinear optic devices.

  11. Static and dynamic properties of confined, cold ion plasmas: MD (molecular dynamics) simulations

    SciTech Connect

    Schiffer, J.P.

    1989-01-01

    Some four years ago it was suggested that in the new generation of heavy ion accelerator storage rings for multiply charged ions, being planned in Europe, one may well attain internal temperatures that would correspond to very cold plasmas. Since that time, the techniques of electron or laser cooling of such beams has evolved and it may well be possible to reach temperatures corresponding to a plasma coupling parameter {Gamma} >> 100. I was fortunate to have had an opportunity to collaborate during 1986-87 with my former colleague Aneesur Rahman, of Molecular Dynamics fame, and we adapted the MD method to the calculation of the properties of cold confined plasmas. After Rahman's premature death two years ago I have continued the exploration of these systems and would like to summarize the results here. 9 refs., 10 figs.

  12. Growth, spectral, optical, thermal, surface analysis and third order nonlinear optical properties of an organic single crystal: 1-(2-Methyl-6-nitro-4-phenyl-3-quinolyl) ethanone

    NASA Astrophysics Data System (ADS)

    Nirosha, M.; Kalainathan, S.; Sarveswari, S.; Vijayakumar, V.; Srikanth, A.

    2015-02-01

    Single crystal of 1-(2-Methyl-6-nitro-4-phenyl-3-quinolyl) ethanone was grown using slow evaporation solution growth technique. Single crystal X-ray diffraction study reveals the lattice parameters of the grown crystal. The modes of vibration of different molecular groups present in 2M6NQE were identified by FTIR spectral analysis. Its optical behavior was examined through UV-vis-NIR absorption and PL emission spectrum. They signify that the crystal has transparency in the region between 383 and 1100 nm. The PL spectrum of the title compound shows green emission in the crystal. From the thermal analysis, 2M6NQE has found to be thermally stable up to 263 °C, and the melting point of the material is 170 °C. The estimations of third order non-linear optical properties like non-linear absorption coefficient (β), non-linear refractive index (n2) and susceptibility [χ(3)] were calculated using Z-scan technique. It has observed that, crystal exhibits reverse saturation absorption and self-defocusing performance. Etching study was carried out for the grown crystal using different solvents.

  13. Second- and third-order nonlinear optical and quantum chemical studies on 2-amino-4-picolinium-nitrophenolate-nitrophenol: A phasematchable organic single crystal

    NASA Astrophysics Data System (ADS)

    Thirupugalmani, K.; Karthick, S.; Shanmugam, G.; Kannan, V.; Sridhar, B.; Nehru, K.; Brahadeeswaran, S.

    2015-11-01

    The title compound, 2-amino-4-picolinium-nitrophenolate-nitrophenol (2A4PNN), has been synthesized and optical quality single crystals of 2A4PNN were grown by solution growth technique. The crystal structure was solved by single crystal X-ray diffraction method. The 2A4PNN molecule was found to possess intermolecular herringbone structure and to crystallize in orthorhombic crystal system with a noncentrosymmetric space group of Pna21 (Point group mm2). The functional groups of 2A4PNN were confirmed through FT-IR and Raman vibrational spectroscopic studies and NMR spectrum was recorded to study its molecular structure. The UV-Vis and photoluminescence spectra were recorded to explore its optical transmittance and emission properties respectively. The SHG efficiency and phasematchability were investigated through Kurtz and Perry powder technique using sieved/graded powders derived from polycrystals of 2A4PNN. The laser damage threshold studies of 2A4PNN single crystal were performed on (1 0 0) plane using a pulsed Nd:YAG laser (1064 nm). The third-order optical properties of 2A4PNN single crystal were measured by Z-scan technique. In addition, the quantum chemical studies were performed on the isolated 2A4PNN molecule using density functional theory (DFT) calculations at the B3LYP/6-311++G (d, p) basis set.

  14. Equilibrium fluctuations of liquid state static properties in a subvolume by molecular dynamics

    NASA Astrophysics Data System (ADS)

    Heyes, D. M.; Dini, D.; Smith, E. R.

    2016-09-01

    System property fluctuations increasingly dominate a physical process as the sampling volume decreases. The purpose of this work is to explore how the fluctuation statistics of various thermodynamic properties depend on the sampling volume, using molecular dynamics (MD) simulations. First an examination of various expressions for calculating the bulk pressure of a bulk liquid is made, which includes a decomposition of the virial expression into two terms, one of which is the Method of Planes (MOP) applied to the faces of the cubic simulation cell. Then an analysis is made of the fluctuations of local density, temperature, pressure, and shear stress as a function of sampling volume (SV). Cubic and spherical shaped SVs were used within a spatially homogeneous LJ liquid at a state point along the melting curve. It is shown that the MD-generated probability distribution functions (PDFs) of all of these properties are to a good approximation Gaussian even for SV containing only a few molecules (˜10), with the variances being inversely proportional to the SV volume, Ω. For small subvolumes the shear stress PDF fits better to a Gaussian than the pressure PDF. A new stochastic sampling technique to implement the volume averaging definition of the pressure tensor is presented, which is employed for cubic, spherical, thin cubic, and spherical shell SV. This method is more efficient for less symmetric SV shapes.

  15. Saturated sodium chloride solution under an external static electric field: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Ren, Gan; Wang, Yan-Ting

    2015-12-01

    The behavior of saturated aqueous NaCl solutions under a constant external electric field (E) was studied by molecular dynamics (MD) simulation. Our dynamic MD simulations indicated that the irreversible nucleation process towards crystallization is accelerated by a moderate E but retarded or even prohibited under a stronger E, which can be understood by the competition between self-diffusion and drift motion. The former increases with E, thereby accelerating the nucleation process, whereas the latter pulls oppositely charged ions apart under a stronger E, thereby decelerating nucleation. Additionally, our steady-state MD simulations indicated that a first-order phase transition occurs in saturated solutions at a certain threshold Ec. The magnitude of Ec increases with concentration because larger clusters form more easily when the solution is more concentrated and require a stronger E to dissociate. Project supported by the National Basic Research Program of China (Grant No. 2013CB932804) and the National Natural Science Foundation of China (Grant Nos. 91227115, 11274319, and 11421063).

  16. Equilibrium fluctuations of liquid state static properties in a subvolume by molecular dynamics.

    PubMed

    Heyes, D M; Dini, D; Smith, E R

    2016-09-14

    System property fluctuations increasingly dominate a physical process as the sampling volume decreases. The purpose of this work is to explore how the fluctuation statistics of various thermodynamic properties depend on the sampling volume, using molecular dynamics (MD) simulations. First an examination of various expressions for calculating the bulk pressure of a bulk liquid is made, which includes a decomposition of the virial expression into two terms, one of which is the Method of Planes (MOP) applied to the faces of the cubic simulation cell. Then an analysis is made of the fluctuations of local density, temperature, pressure, and shear stress as a function of sampling volume (SV). Cubic and spherical shaped SVs were used within a spatially homogeneous LJ liquid at a state point along the melting curve. It is shown that the MD-generated probability distribution functions (PDFs) of all of these properties are to a good approximation Gaussian even for SV containing only a few molecules (∼10), with the variances being inversely proportional to the SV volume, Ω. For small subvolumes the shear stress PDF fits better to a Gaussian than the pressure PDF. A new stochastic sampling technique to implement the volume averaging definition of the pressure tensor is presented, which is employed for cubic, spherical, thin cubic, and spherical shell SV. This method is more efficient for less symmetric SV shapes. PMID:27634268

  17. Equilibrium fluctuations of liquid state static properties in a subvolume by molecular dynamics.

    PubMed

    Heyes, D M; Dini, D; Smith, E R

    2016-09-14

    System property fluctuations increasingly dominate a physical process as the sampling volume decreases. The purpose of this work is to explore how the fluctuation statistics of various thermodynamic properties depend on the sampling volume, using molecular dynamics (MD) simulations. First an examination of various expressions for calculating the bulk pressure of a bulk liquid is made, which includes a decomposition of the virial expression into two terms, one of which is the Method of Planes (MOP) applied to the faces of the cubic simulation cell. Then an analysis is made of the fluctuations of local density, temperature, pressure, and shear stress as a function of sampling volume (SV). Cubic and spherical shaped SVs were used within a spatially homogeneous LJ liquid at a state point along the melting curve. It is shown that the MD-generated probability distribution functions (PDFs) of all of these properties are to a good approximation Gaussian even for SV containing only a few molecules (∼10), with the variances being inversely proportional to the SV volume, Ω. For small subvolumes the shear stress PDF fits better to a Gaussian than the pressure PDF. A new stochastic sampling technique to implement the volume averaging definition of the pressure tensor is presented, which is employed for cubic, spherical, thin cubic, and spherical shell SV. This method is more efficient for less symmetric SV shapes.

  18. Application of third-order multivariate calibration algorithms to the determination of carbaryl, naphthol and propoxur by kinetic spectroscopic measurements.

    PubMed

    Santa-Cruz, Pablo; García-Reiriz, Alejandro

    2014-10-01

    In the present work a new application of third-order multivariate calibration algorithms is presented, in order to quantify carbaryl, naphthol and propoxur using kinetic spectroscopic data. The time evolution of fluorescence data matrices was measured, in order to follow the alkaline hydrolysis of the pesticides mentioned above. This experimental system has the additional complexity that one of the analytes is the reaction product of another analyte, and this fact generates linear dependency problems between concentration profiles. The data were analyzed by three different methods: parallel factor analysis (PARAFAC), unfolded partial least-squares (U-PLS) and multi-dimensional partial least-squares (N-PLS); these last two methods were assisted with residual trilinearization (RTL) to model the presence of unexpected signals not included in the calibration step. The ability of the different algorithms to predict analyte concentrations was checked with validation samples. Samples with unexpected components, tiabendazole and carbendazim, were prepared and spiked water samples of a natural stream were used to check the recovered concentrations. The best results were obtained with U-PLS/RTL and N-PLS/RTL with an average of the limits of detection of 0.035 for carbaryl, 0.025 for naphthol and 0.090 for propoxur (mg L(-1)), because these two methods are more flexible regarding the structure of the data.

  19. Coupled third-order simplified spherical harmonics and diffusion equation-based fluorescence tomographic imaging of liver cancer

    NASA Astrophysics Data System (ADS)

    Chen, Xueli; Sun, Fangfang; Yang, Defu; Liang, Jimin

    2015-09-01

    For fluorescence tomographic imaging of small animals, the liver is usually regarded as a low-scattering tissue and is surrounded by adipose, kidneys, and heart, all of which have a high scattering property. This leads to a breakdown of the diffusion equation (DE)-based reconstruction method as well as a heavy computational burden for the simplified spherical harmonics equation (SPN). Coupling the SPN and DE provides a perfect balance between the imaging accuracy and computational burden. The coupled third-order SPN and DE (CSDE)-based reconstruction method is developed for fluorescence tomographic imaging. This is achieved by doubly using the CSDE for the excitation and emission processes of the fluorescence propagation. At the same time, the finite-element method and hybrid multilevel regularization strategy are incorporated in inverse reconstruction. The CSDE-based reconstruction method is first demonstrated with a digital mouse-based liver cancer simulation, which reveals superior performance compared with the SPN and DE-based methods. It is more accurate than the DE-based method and has lesser computational burden than the SPN-based method. The feasibility of the proposed approach in applications of in vivo studies is also illustrated with a liver cancer mouse-based in situ experiment, revealing its potential application in whole-body imaging of small animals.

  20. The Liquid-Water Oscillation in Modeling Boundary-Layer Cumuli with Third-Order Turbulence Closure Models

    NASA Technical Reports Server (NTRS)

    Cheng, A.; Xu, K.-M.; Golaz, J.-C.

    2004-01-01

    A hierarchy of third-order turbulence closure models are used to simulate boundary-layer cumuli in this study. An unrealistically strong liquid-water oscillation (LWO) is found in the fully prognostic model, which predicts all third moments. The LWO propagates from cloud base to cloud top with a speed of 1 m/s. The period of the oscillation is about 1000 s. Liquid-water buoyancy terms in the third-moment equations contribute to the LWO. The LWO mainly affects the vertical profiles of cloud fraction, mean liquid-water mixing ratio and the fluxes of liquid-water potential temperature and total water, but has less impact on the vertical profiles of other second-moments and third-moments. In order to minimize the LWO, a moderate large diffusion coefficient and a large turbulent dissipation at its originating level are needed. However, this approach distorts the vertical distributions of cloud fraction and liquid-water mixing ratio. A better approach is to parameterize liquid-water buoyancy more reasonably. A minimally prognostic model, which diagnoses all third moments except for vertical velocity, is shown to produce better results, compared to a fully prognostic model.

  1. Self-oscillations of a third order PLL in periodic and chaotic mode and its tracking in a slave PLL

    NASA Astrophysics Data System (ADS)

    Sarkar, B. C.; Chakraborty, S.

    2014-03-01

    The dynamics of a third order phase locked loop (PLL) with a resonant low pass filter (LPF) has been studied numerically in the parameter space of the system. The range of stable synchronous operating zone of the PLL, expressed in terms of system and signal parameters, is estimated. The obtained results are in agreement with the analytically predicted results in the literature. The PLL dynamics in the unstable region is found to have a sequence of period doubling bifurcation and chaos. In the master-slave mode of operation of two 3rd order PLLs, the slave PLL can track the periodic as well as chaotic dynamics of the master PLL for a narrow range of effective frequency offset when other design parameters are within the stable zone as predicted for an isolated PLL. The synchronization of the master and slave PLLs in this condition is proved to be a generalized one using the auxiliary slave system approach. Experimental observations on prototype hardware circuits for an isolated PLL and for a master-slave PLL arrangement are also given.

  2. Investigation on third-order optical nonlinearities of newly synthesized stilbazolium derivative crystal by Z-scan technique

    NASA Astrophysics Data System (ADS)

    Senthil, K.; Kalainathan, S.; Kumar, A. Ruban

    2015-06-01

    New stilbazolium derivatives chromophores with donor-π-acceptor structure: 2-[2-(4-Diethylamino-phenyl)-vinyl]-1-methyl-pyridinium naphthalene-2-sulfonate (DESNS) have been synthesized via Knoevenagel condensations reaction. Luminescence property of the grown crystal indicates that the DESNS is an excellent orange and red light emitting material. The chemical etching studies made on the surface of DESNS and to assess the perfection of the grown crystals, which reveals that formation of layer growth pattern. Both the values of dielectric constant and dielectric loss of the crystal were calculated by varying the frequencies at ambient temperature. The effective third-order nonlinear optical susceptibility χ(3) of the grown crystal have been investigated by Z-scan technique using He-Ne laser at 632.8nm, which is found to be χ(3) = 3.509× 10-4esu. The negative sign of the nonlinear refractive index n2 = 5.1242×10-12 m2/W indicates that title material exhibits self-defocusing optical nonlinearity.

  3. Role of negative-third order dispersion, intrapulse Raman scattering and self steepening effect on soliton intra-channel interaction

    NASA Astrophysics Data System (ADS)

    Mani, Bhupeshwaran; Jawahar, A.; Sivasubramanian, A.; Chitra, K.

    2015-07-01

    Here, we demonstrate the combined influence of Intrapulse Raman Scattering (IRS), Self-Steepening (SS) and negative Third Order Dispersion (n-TOD) on soliton interaction. The peculiar particle nature of soliton results in interaction of in-phase adjacent pulses while helps in deviation of out-of phase pulses. We show how the interaction of the soliton can be avoided due to combined effect of IRS, SS and negative TOD as these effects apart from various nonlinear dynamics results in shifting of pulses. The interaction point of solitons in 160 Gbps system is found to be at 24.22Km for an initial relative spacing of qo=5.28 using Perturbation theory. This in-phase soliton pair tracing inside the fiber in noted using Split-Step Fourier Transform. Further, impact of interaction is realized in 160 Gbps telecommunication model which yielded Q=0 at Ip depicting perfect interaction resulting in bit error without influence while yielded fair Quality facto of 112.375, 124.59, 93.57, 75.12, 63.23 and 46.97 with influence for various TOD values of -0.03, -0.04, -0.05, -0.06, -0.07 and -0.09 ps3/Km and TR=4fs demonstrating no interaction.

  4. Hydro-Geomorphologic Effects Of Large Wood Jams On A Third-Order Stream (Tierra Del Fuego, Argentina)

    NASA Astrophysics Data System (ADS)

    Mao, L.; Andreoli, A.; Comiti, F.; Lenzi, M. A.; Iturraspe, R.; Burns, S.; Novillo, M. G.

    2007-05-01

    Dead wood pieces, especially when organized in jams, play an important geomorphic role in streams because of the effects on flow hydraulics, pool formation and sediments storage. The increase of stream morphological diversity and complexity also exerts also an important ecological role. This work reports on geomorphic role of large wood pieces and jams in a third order mountain stream located in the Southern Tierra del Fuego (Argentina), and draining an old-growth nothofagus forested basin not influenced by the beavers damming activity. Even if the in-stream number of wood pieces (length > 1m; diameter > 0.1 m) is comparable to what observed in other climatic areas, the slow growth of the nothofagus forest causes a lower wood abundance in terms of volumetric load. Since the relatively small dimensions of the surveyed large wood pieces, almost the 70% of them demonstrated to have been fluvial transported and the also wood jams reflect the apparent dynamic of wood in the channel. Wood jams exert a significant influence on the channel morphology, representing almost the half of the drop caused by steps and being responsible for the creation of 30% of the pools. The LW-forced pool volume is strongly and positively correlated to the height of the LW jam, and a significant inverse relationship between pool spacing and wood density within is evident if only the LW-forced pools are considered. The geomorphic influence of LW jams is also exerted by a considerable sediment storing capacity.

  5. Coexistence of multiple attractors and crisis route to chaos in autonomous third order Duffing-Holmes type chaotic oscillators

    NASA Astrophysics Data System (ADS)

    Kengne, J.; Njitacke Tabekoueng, Z.; Fotsin, H. B.

    2016-07-01

    We perform a systematic analysis of a system consisting of an autonomous third order Duffing-Holmes type chaotic oscillator recently introduced by Tamasevicius et al. (2009). In this type of oscillators, the symmetrical characteristics of the nonlinear component necessary for generating chaotic oscillations is synthesized by using a pair of semiconductor diodes connected in anti-parallel. Based on the Shockley diode equation and a judicious choice of state variables, we derive a smooth mathematical model (involving hyperbolic sine and cosine functions) for a better description of both the regular and chaotic dynamics of the oscillator. The bifurcation analysis shows that chaos is achieved via the classical period-doubling and symmetry restoring crisis scenarios. More interestingly, some regions of the parameter space corresponding to the coexistence of multiple attractors (e.g. coexistence of four different attractors for the same values of system parameters) are discovered. This striking phenomenon is unique and has not yet been reported previously in an electrical circuit (the universal Chua's circuit included, in spite the immense amount of related research work), and thus represents a meaningful contribution to the understanding of the behavior of nonlinear dynamical systems in general. Some PSpice simulations of the nonlinear dynamics of the oscillator are carried out to verify the theoretical analysis.

  6. Hybrid DFT Functional-Based Static and Molecular Dynamics Studies of Excess Electron in Liquid Ethylene Carbonate

    SciTech Connect

    Yu, J. M.; Balbuena, P. B.; Budzien, J. L.; Leung, Kevin

    2011-02-22

    We applied static and dynamic hybrid functional density functional theory (DFT) calculations to study the interactions of one and two excess electrons with ethylene carbonate (EC) liquid and clusters. Optimal structures of (EC)n and (EC)n- clusters devoid of Li+ ions, n = 1–6, were obtained. The excess electron was found to be localized on a single EC in all cases, and the EC dimeric radical anion exhibits a reduced barrier associated with the breaking of the ethylene carbon–oxygen covalent bond compared to EC-. In ab initio molecular dynamics (AIMD) simulations of EC- solvated in liquid EC, large fluctuations in the carbonyl carbon–oxygen bond lengths were observed. AIMD simulations of a two-electron attack on EC in EC liquid and on Li metal surfaces yielded products similar to those predicted using nonhybrid DFT functionals, except that CO release did not occur for all attempted initial configurations in the liquid state.

  7. Third-order elastic constants, vibrational anharmonicity, and the Invar behavior of the Fe72Pt28 alloy

    NASA Astrophysics Data System (ADS)

    Saunders, G. A.; Senin, H. B.; Sidek, H. A. A.; Pelzl, J.

    1993-12-01

    In the ferromagnetic state the alloy Fe72Pt28 shows strong Invar effects governed by magnetoelastic interactions, including a negative hydrostatic pressure dependence of the bulk modulus: it becomes easier to squeeze under pressure. This remarkable behavior has prompted study of its nonlinear acoustic properties by determining its third-order elastic stiffness tensor components (TOEC) from measurements of the influence of uniaxial stress on the velocities of ultrasonic waves between 230 and 370 K, covering the range in which Fe72Pt28 has a negative thermal expansion, a property central to the Invar behavior. To obtain complete sets of the TOEC from 230 K up to the Curie point (367 K), the results have been combined with data for the hydrostatic pressure dependences of ultrasonic wave velocities. The TOEC quantify the first-order anharmonic terms in the interatomic potential and hence the long-wavelength acoustic phonon anharmonicities which are central to the Invar properties of this alloy. The tensor components C111, C112, and C123 are anomalously positive, in accord with the negative values previously determined for the hydrostatic pressure derivatives (∂C11/∂P)T,P=0 and (∂BS/∂P)T,P=0. Thus, the large stress-induced longitudinal-acoustic-mode softening in the ferromagnetic phase is confirmed, reinforcing the suggestion that the vibrational anharmonicities of the longitudinal acoustic modes, which have large negative mode Grüneisen parameters, play an important part in causing the thermal expansion of Fe72Pt28 to be negative.

  8. Time-dependent fifth-order bands in nominally third-order 2D IR vibrational echo spectra.

    PubMed

    Thielges, Megan C; Fayer, Michael D

    2011-09-01

    Progress in the field of 2D IR vibrational spectroscopy has been bolstered by the production of intense mid-IR laser pulses. As higher-energy pulses are employed, a concomitant increase occurs in the likelihood of fifth-order contributions to the 2D IR spectra. We report the appearance of fifth-order signals in 2D IR spectra of CO bound to the active site of the enzyme cytochrome P450(cam) with the substrate norcamphor. Two bands with novel time dependences, one on the diagonal and one off-diagonal, are not accounted for by normal third-order interactions. These bands are associated with a ν = 1-2 vibrational transition frequency. Both bands decay to 0 and then grow back in with opposite sign. The diagonal band is positive at short time, decays to 0, reappears with negative sign, before eventually decaying to 0. The off-diagonal band is negative at short time, decays to 0, reappears positive, and then decays to 0. The appearance and time dependence of these bands are characterized. Understanding these fifth-order bands is useful because they may be misidentified with time-dependent bands that arise from other processes, such as chemical exchange, vibrational coupling, or energy transfer. The presence and unusual time dependences of the fifth-order bands are reproduced with model calculations that account for the fact that vibrational relaxation from the ν = 2 to 1 level is approximately a factor of 2 faster than that from the ν = 1 to 0 level.

  9. Analysis and comparison of CVS-ADC approaches up to third order for the calculation of core-excited states

    SciTech Connect

    Wenzel, Jan Holzer, Andre; Wormit, Michael; Dreuw, Andreas

    2015-06-07

    The extended second order algebraic-diagrammatic construction (ADC(2)-x) scheme for the polarization operator in combination with core-valence separation (CVS) approximation is well known to be a powerful quantum chemical method for the calculation of core-excited states and the description of X-ray absorption spectra. For the first time, the implementation and results of the third order approach CVS-ADC(3) are reported. Therefore, the CVS approximation has been applied to the ADC(3) working equations and the resulting terms have been implemented efficiently in the adcman program. By treating the α and β spins separately from each other, the unrestricted variant CVS-UADC(3) for the treatment of open-shell systems has been implemented as well. The performance and accuracy of the CVS-ADC(3) method are demonstrated with respect to a set of small and middle-sized organic molecules. Therefore, the results obtained at the CVS-ADC(3) level are compared with CVS-ADC(2)-x values as well as experimental data by calculating complete basis set limits. The influence of basis sets is further investigated by employing a large set of different basis sets. Besides the accuracy of core-excitation energies and oscillator strengths, the importance of cartesian basis functions and the treatment of orbital relaxation effects are analyzed in this work as well as computational timings. It turns out that at the CVS-ADC(3) level, the results are not further improved compared to CVS-ADC(2)-x and experimental data, because the fortuitous error compensation inherent in the CVS-ADC(2)-x approach is broken. While CVS-ADC(3) overestimates the core excitation energies on average by 0.61% ± 0.31%, CVS-ADC(2)-x provides an averaged underestimation of −0.22% ± 0.12%. Eventually, the best agreement with experiments can be achieved using the CVS-ADC(2)-x method in combination with a diffuse cartesian basis set at least at the triple-ζ level.

  10. A Third-Order Item Response Theory Model for Modeling the Effects of Domains and Subdomains in Large-Scale Educational Assessment Surveys

    ERIC Educational Resources Information Center

    Rijmen, Frank; Jeon, Minjeong; von Davier, Matthias; Rabe-Hesketh, Sophia

    2014-01-01

    Second-order item response theory models have been used for assessments consisting of several domains, such as content areas. We extend the second-order model to a third-order model for assessments that include subdomains nested in domains. Using a graphical model framework, it is shown how the model does not suffer from the curse of…

  11. Third-order nonlinear optical investigations of meso-tetrakis(2,3,5,6-tetrafluoro-N,N-dimethyl-4-anilinyl)porphyrin and its metal complexes

    NASA Astrophysics Data System (ADS)

    Siji Narendran, N. K.; Soman, Rahul; Arunkumar, Chellaiah; Chandrasekharan, K.

    2015-02-01

    We report here the experimental investigation on third-order nonlinear optical parameters of 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-N,N-dimethyl-4-anilinyl)porphyrin and its various metal complexes, using Z-scan technique at 532 nm. The third-order nonlinear optical susceptibilities (χ(3)) were of the order 10-12 esu and are compared through degenerate four wave mixing (DFWM). The operating mechanism is reverse saturable absorption (RSA) as the effective excited-state absorption cross-section was found higher than ground state absorption cross-section as well as the magnitude of nonlinear absorption coefficient was found decreasing with on-axis input intensity. The compounds found to exhibit good optical limiting at 532 nm, 7 ns excitation steering applications in laser safety.

  12. Simultaneous two and three photon resonant enhancement of third-order NLO susceptibility in an azo-dye functionalized polymer film.

    PubMed

    Jerca, Florica Adriana; Jerca, Valentin Victor; Kajzar, Francois; Manea, Ana Maria; Rau, Ileana; Vuluga, Dumitru Mircea

    2013-05-21

    We report the observation of simultaneous two and three photon resonances, enhancing the third-order NLO susceptibility in a thin film of an azo-dye polymer. The possibility of 2-3 orders of magnitude increase in χ((3)) susceptibility is sustained by quantum mechanical calculations. This improves the applications of azo-polymers in all optical signal processing as well as in nonlinear optical imaging.

  13. Regional Recovery of the Disturbing Gravitational Potential from Satellite Observations of First-, Second- and Third-order Radial Derivatives of the Disturbing Gravitational Potential

    NASA Astrophysics Data System (ADS)

    Novak, P.; Pitonak, M.; Sprlak, M.

    2015-12-01

    Recently realized gravity-dedicated satellite missions allow for measuring values of scalar, vectorial (Gravity Recovery And Climate Experiment - GRACE) and second-order tensorial (Gravity field and steady-state Ocean Circulation Explorer - GOCE) parameters of the Earth's gravitational potential. Theoretical aspects related to using moving sensors for measuring elements of a third-order gravitational tensor are currently under investigation, e.g. the gravity-dedicated satellite mission OPTIMA (OPTical Interferometry for global Mass change detection from space) should measure third-order derivatives of the Earth's gravitational potential. This contribution investigates regional recovery of the disturbing gravitational potential on the Earth's surface from satellite observations of first-, second- and third-order radial derivatives of the disturbing gravitational potential. Synthetic measurements along a satellite orbit at the altitude of 250 km are synthetized from the global gravitational model EGM2008 and polluted by the Gaussian noise. The process of downward continuation is stabilized by the Tikhonov regularization. Estimated values of the disturbing gravitational potential are compared with the same quantity synthesized directly from EGM2008. Finally, this contribution also discusses merging a regional solution into a global field as a patchwork.

  14. Solitonic dynamics and excitations of the nonlinear Schrödinger equation with third-order dispersion in non-Hermitian PT-symmetric potentials

    PubMed Central

    Chen, Yong; Yan, Zhenya

    2016-01-01

    Solitons are of the important significant in many fields of nonlinear science such as nonlinear optics, Bose-Einstein condensates, plamas physics, biology, fluid mechanics, and etc. The stable solitons have been captured not only theoretically and experimentally in both linear and nonlinear Schrödinger (NLS) equations in the presence of non-Hermitian potentials since the concept of the parity-time -symmetry was introduced in 1998. In this paper, we present novel bright solitons of the NLS equation with third-order dispersion in some complex -symmetric potentials (e.g., physically relevant -symmetric Scarff-II-like and harmonic-Gaussian potentials). We find stable nonlinear modes even if the respective linear -symmetric phases are broken. Moreover, we also use the adiabatic changes of the control parameters to excite the initial modes related to exact solitons to reach stable nonlinear modes. The elastic interactions of two solitons are exhibited in the third-order NLS equation with -symmetric potentials. Our results predict the dynamical phenomena of soliton equations in the presence of third-order dispersion and -symmetric potentials arising in nonlinear fiber optics and other physically relevant fields. PMID:27002543

  15. Possibilities of the regional gravity field recovery from first-, second- and third-order radial derivatives of the disturbing gravitational potential measured on moving platforms

    NASA Astrophysics Data System (ADS)

    Pitonak, Martin; Sprlak, Michal; Novak, Pavel; Tenzer, Robert

    2016-04-01

    Recently realized gravity-dedicated satellite missions allow for measuring values of scalar, vectorial (Gravity Recovery And Climate Experiment - GRACE) and second-order tensorial (Gravity field and steady-state Ocean Circulation Explorer - GOCE) parameters of the Earth's gravitational potential. Theoretical aspects related to using moving sensors for measuring elements of the third-order gravitational tensor are currently under investigation, e.g., the gravity field-dedicated satellite mission OPTIMA (OPTical Interferometry for global Mass change detection from space) should measure third-order derivatives of the Earth's gravitational potential. This contribution investigates regional recovery of the disturbing gravitational potential on the Earth's surface from satellite and aerial observations of the first-, second- and third-order radial derivatives of the disturbing gravitational potential. Synthetic measurements along a satellite orbit at the altitude of 250 km and along an aircraft track at the altitude of 10 km are synthetized from the global gravitational model EGM2008 and polluted by the Gaussian noise. The process of downward continuation is stabilized by the Tikhonov regularization. Estimated values of the disturbing gravitational potential are compared with the same quantity synthesized directly from EGM2008.

  16. Size-, electric-field-, and frequency-dependent third-order nonlinear optical properties of hydrogenated silicon nanoclusters

    PubMed Central

    Li, Haipeng; Xu, Hu; Shen, Xiaopeng; Han, Kui; Bi, Zetong; Xu, Runfeng

    2016-01-01

    We investigated the electronic properties and second hyperpolarizabilities of hydrogenated silicon nanoclusters (H-SiNCs) by using the density functional theory method. The effects of cluster size, external electric field and incident frequency on the second hyperpolarizability were also examined, respectively. We found that small H-SiNCs exhibit large second hyperpolarizability. With the increase of the number of silicon atoms in H-SiNCs, the frontier molecular orbital energy gap decreases, attributed to the enhancement of the second hyperpolarizability. Interestingly, we also found the electric-field-induced gigantic enhancement of the second hyperpolarizability for H-SiNCs due to the change of electron density distributions. In addition, our results demonstrate a significant dependence on the frequency of incident light. PMID:27305957

  17. [60]Fullerene-porphyrin [n]pseudorotaxanes: self-assembly, photophysics and third-order NLO response.

    PubMed

    Đorđević, L; Marangoni, T; De Leo, F; Papagiannouli, I; Aloukos, P; Couris, S; Pavoni, E; Monti, F; Armaroli, N; Prato, M; Bonifazi, D

    2016-04-28

    By means of different spectroscopic techniques, we investigate a novel series of porphyrin derivatives (H2TPP), connected to dibenzo-24-crown-8 (DB24C8) moieties, which undergo self-assembly with different methano[60]fullerene units bearing dibenzylammonium (DBA) cations. The formation of both [2] and [3]pseudorotaxanes was proved by means of NMR, UV-Vis-NIR absorption and emission spectroscopies. With the support of molecular modelling studies, spectroscopic investigations showed the presence of a secondary interaction between the porphyrin and the C60 chromophores leading to the formation of different types of "face-to-face" assemblies. Remarkably, investigations of the non-linear optical response of these supramolecular systems showed that individual porphyrin and fullerene derivatives exhibit significantly lower second hyperpolarizability values when compared to their pseudorotaxanes functionalised counterparts. This proves that this class of supramolecular materials possesses relevant NLO response, which strongly depends on the structural arrangement of the chromophores in solution.

  18. [60]Fullerene-porphyrin [n]pseudorotaxanes: self-assembly, photophysics and third-order NLO response.

    PubMed

    Đorđević, L; Marangoni, T; De Leo, F; Papagiannouli, I; Aloukos, P; Couris, S; Pavoni, E; Monti, F; Armaroli, N; Prato, M; Bonifazi, D

    2016-04-28

    By means of different spectroscopic techniques, we investigate a novel series of porphyrin derivatives (H2TPP), connected to dibenzo-24-crown-8 (DB24C8) moieties, which undergo self-assembly with different methano[60]fullerene units bearing dibenzylammonium (DBA) cations. The formation of both [2] and [3]pseudorotaxanes was proved by means of NMR, UV-Vis-NIR absorption and emission spectroscopies. With the support of molecular modelling studies, spectroscopic investigations showed the presence of a secondary interaction between the porphyrin and the C60 chromophores leading to the formation of different types of "face-to-face" assemblies. Remarkably, investigations of the non-linear optical response of these supramolecular systems showed that individual porphyrin and fullerene derivatives exhibit significantly lower second hyperpolarizability values when compared to their pseudorotaxanes functionalised counterparts. This proves that this class of supramolecular materials possesses relevant NLO response, which strongly depends on the structural arrangement of the chromophores in solution. PMID:26890806

  19. Size-, electric-field-, and frequency-dependent third-order nonlinear optical properties of hydrogenated silicon nanoclusters

    NASA Astrophysics Data System (ADS)

    Li, Haipeng; Xu, Hu; Shen, Xiaopeng; Han, Kui; Bi, Zetong; Xu, Runfeng

    2016-06-01

    We investigated the electronic properties and second hyperpolarizabilities of hydrogenated silicon nanoclusters (H-SiNCs) by using the density functional theory method. The effects of cluster size, external electric field and incident frequency on the second hyperpolarizability were also examined, respectively. We found that small H-SiNCs exhibit large second hyperpolarizability. With the increase of the number of silicon atoms in H-SiNCs, the frontier molecular orbital energy gap decreases, attributed to the enhancement of the second hyperpolarizability. Interestingly, we also found the electric-field-induced gigantic enhancement of the second hyperpolarizability for H-SiNCs due to the change of electron density distributions. In addition, our results demonstrate a significant dependence on the frequency of incident light.

  20. Twisted Thiophene-Based Chromophores with Enhanced Intramolecular Charge Transfer for Cooperative Amplification of Third-Order Optical Nonlinearity.

    PubMed

    Teran, Natasha B; He, Guang S; Baev, Alexander; Shi, Yanrong; Swihart, Mark T; Prasad, Paras N; Marks, Tobin J; Reynolds, John R

    2016-06-01

    Exploiting synergistic cooperation between multiple sources of optical nonlinearity, we report the design, synthesis, and nonlinear optical properties of a series of electron-rich thiophene-containing donor-acceptor chromophores with condensed π-systems and sterically regulated inter-aryl twist angles. These structures couple two key mechanisms underlying optical nonlinearity, namely, (i) intramolecular charge transfer, greatly enhanced by increased electron density and reduced aromaticity at chromophore thiophene rings and (ii) a twisted chromophore geometry, producing a manifold of close-lying excited states and dipole moment changes between ground and excited states that are nearly twice that of untwisted systems. Spectroscopic, electrochemical, and nonlinear Z-scan measurements, combined with quantum chemical calculations, illuminate relationships between molecular structure and mechanisms of enhancement of the nonlinear refractive index. Experiment and calculations together reveal ground-state structures that are strongly responsive to the solvent polarity, leading to substantial negative solvatochromism (Δλ ≈ 10(2) nm) and prevailing zwitterionic/aromatic structures in the solid state and in polar solvents. Ground-to-excited-state energy gaps below 2.0 eV are obtained in condensed π-systems, with lower energy gaps for twisted versus untwisted systems. The real part of the second hyperpolarizability in the twisted structures is much greater than the imaginary part, with the highest twist angle chromophore giving |Re(γ)/Im(γ)| ≈ 100, making such chromophores very promising for all-optical-switching applications. PMID:27232098

  1. Enhancement of the third-order nonlinear optical properties in open-shell singlet transition-metal dinuclear systems: effects of the group, of the period, and of the charge of the metal atom.

    PubMed

    Fukui, Hitoshi; Inoue, Yudai; Yamada, Taishi; Ito, Soichi; Shigeta, Yasuteru; Kishi, Ryohei; Champagne, Benoît; Nakano, Masayoshi

    2012-06-01

    Metal-metal multiply bonded complexes in their singlet state have been predicted to form a novel class of "σ-dominant" third-order nonlinear optical compounds based on the results of dichromium(II) and dimolybdenum(II) systems (H. Fukui et al. J. Phys. Chem. Lett.2011, 2, 2063) whose second hyperpolarizabilities (γ) are enhanced by the contribution of the dσ electrons with an intermediate diradical character. In this study, using the spin-unrestricted coupled-cluster method with singles and doubles as well as with perturbative triples, we investigate the dependences of γ on the group and on the period of the transition metals as well as on their atomic charges in several open-shell singlet dimetallic systems. A significant enhancement of γ is observed in those dimetallic systems composed of (i) transition metals with a small group number, (ii) transition metals with a large periodic number, and (iii) transition metals with a small positive charge. From the decomposition of the γ values into the contributions of dσ, dπ, and dδ electrons, the γ enhancements are shown to originate from the dσ contribution, because it corresponds to the intermediate diradical character region. Furthermore, the amplitude of dσ contribution turns out to be related to the size of the d(z(2)) atomic orbital of the transition metal, which accounts for the dependence of γ on the group, on the period, and on the charge of the metal atoms. These dependences provide a guideline for an effective molecular design of highly efficient third-order nonlinear optical (NLO) systems based on the metal-metal bonded systems.

  2. Simultaneous even- and third-order distortion suppression in a microwave photonic link based on orthogonal polarization modulation, balanced detection, and optical sideband filtering.

    PubMed

    Han, Xiuyou; Chen, Xiang; Yao, Jianping

    2016-06-27

    A microwave photonic link (MPL) with simultaneous suppression of the even-order and third-order distortions using a polarization modulator (PolM), an optical bandpass filter (OBPF), and a balanced photodetector (BPD) is proposed and experimentally demonstrated. The even-order distortions are suppressed by utilizing orthogonal polarization modulation based on the PolM and balanced differential detection based on the BPD. The third-order distortions (IMD3) are suppressed by optimizing the spectral response of the OBPF with an optimal power ratio between the optical carrier and the sidebands of the phase-modulated signals from the PolM. Since the suppression of the IMD3 is achieved when the MPL is optimized for even-order distortion suppression, the proposed MPL can operate with simultaneous suppression of the even-order and third-order distortions. The proposed MPL is analyzed theoretically and is verified by an experiment. For a two-tone RF signal of f1 = 10 GHz and f2 = 19.95 GHz, the spurious-free dynamic range (SFDR2) is enhanced by 23.4 dB for the second harmonic (2f1), and 29.1 and 27.6 dB for the second intermodulation (f2-f1 and f1 + f2), as compared with a conventional MPL. For a two-tone RF signal of f1 = 9.95 GHz and f2 = 10 GHz, the SFDR3 is increased by 13.1 dB as compared with a conventional MPL. PMID:27410633

  3. Influence of position-dependent effective mass on third-order nonlinear optical susceptibility of impurity doped quantum dots in the presence of Gaussian white noise

    NASA Astrophysics Data System (ADS)

    Saha, Surajit; Pal, Suvajit; Ganguly, Jayanta; Ghosh, Manas

    2016-03-01

    We inspect the influence of position-dependent effective mass (PDEM) on the third-order nonlinear optical susceptibility (TONOS) of impurity doped quantum dots (QDs) in the presence and absence of noise. The TONOS profiles have been followed as a function of incident photon energy for different values of PDEM. Using PDEM the said profile considerably deviates from that of fixed effective mass (FEM). However, a switch from one mode of application of noise to another primarily alters the TONOS peak intensity. The observations highlight the possibility of tuning the TONOS profiles of doped QD systems exploiting noise and PDEM.

  4. Investigation of electric field effect on the third order nonlinear optical properties of Fe3O4 nanoparticles-doped nematic liquid crystal

    NASA Astrophysics Data System (ADS)

    Dehghani, Z.; Saievar Iranizad, E.; Nadafan, M.

    2015-01-01

    Third order nonlinearity of Fe3O4 nanoparticles (NPs) doped in nematic liquid crystals (NLCs) was evaluated due to laser induced self-phase modulation. The influence of electric field on the nonlinear optical responses of the NLCs doped with Fe3O4 NPs was considered in different voltages. The measurements were performed for two commonly initial alignments (homogeneous and homeotropic) with different small compositional percentages of magnetic NPs. The experimental results show that the homogenous- aligned cell was considerably affected on the applied electric field while the nonlinearity of homeotropic-aligned NLCs with the Fe3O4 NPs did not approximately change in the presence of electric field.

  5. Nonlinear Optical Properties of X(C6H5)4 (X = B(-), C, N(+), P(+)): A New Class of Molecules with a Negative Third-Order Polarizability.

    PubMed

    Gieseking, Rebecca L; Ensley, Trenton R; Hu, Honghua; Hagan, David J; Risko, Chad; Van Stryland, Eric W; Brédas, Jean-Luc

    2015-08-01

    Organic π-conjugated materials have been widely used for a variety of nonlinear optical (NLO) applications. Molecules with negative real components Re(γ) of the third-order polarizability, which leads to nonlinear refraction in macroscopic systems, have important benefits for several NLO applications. However, few organic systems studied to date have negative Re(γ) in the long wavelength limit, and all inorganic materials show positive nonlinear refraction in this limit. Here, we introduce a new class of molecules of the form X(C6H5)4, where X = B(-), C, N(+), and P(+), that have negative Re(γ). The molecular mechanism for the NLO properties in these systems is very different from those in typical linear conjugated systems: These systems have a band of excited states involving single-electron excitations within the π-system, several of which have significant coupling to the ground state. Thus, Re(γ) cannot be understood in terms of a simplified essential-state model and must be analyzed in the context of the full sum-over-states expression. Although Re(γ) is significantly smaller than that of other commonly studied NLO chromophores, the introduction of a new molecular architecture offering the potential for a negative Re(γ) introduces new avenues of molecular design for NLO applications.

  6. Examination of the four-fifths law for longitudinal third-order moments in incompressible magnetohydrodynamic turbulence in a periodic box.

    PubMed

    Yoshimatsu, Katsunori

    2012-06-01

    The four-fifths law for third-order longitudinal moments is examined, using direct numerical simulation (DNS) data on three-dimensional (3D) forced incompressible magnetohydrodynamic (MHD) turbulence without a uniformly imposed magnetic field in a periodic box. The magnetic Prandtl number is set to one, and the number of grid points is 512(3). A generalized Kármán-Howarth-Kolmogorov equation for second-order velocity moments in isotropic MHD turbulence is extended to anisotropic MHD turbulence by means of a spherical average over the direction of r. Here, r is a separation vector. The viscous, forcing, anisotropic and nonstationary terms in the generalized equation are quantified. It is found that the influence of the anisotropic terms on the four-fifths law is negligible at small scales, compared to that of the viscous term. However, the influence of the directional anisotropy, which is measured by the departure of the third-order moments in a particular direction of r from the spherically averaged ones, on the four-fifths law is suggested to be substantial, at least in the case studied here.

  7. Diradical Character Tuning for the Third-Order Nonlinear Optical Properties of Quinoidal Oligothiophenes by Introducing Thiophene-S,S-dioxide Rings.

    PubMed

    Kishi, Ryohei; Ochi, Shoki; Izumi, Shioh; Makino, Akihiro; Nagami, Takanori; Fujiyoshi, Jun-ya; Matsushita, Naoyuki; Saito, Michika; Nakano, Masayoshi

    2016-01-22

    To create a design guideline for efficient third-order nonlinear optical (NLO) molecules, the chain-length (n) dependences of the diradical character y and the longitudinal second hyperpolarizability γ of quinoidal oligothiophenes (QTs), from monomers to octamers, involving thiophene-S,S-dioxide rings are investigated by using the density functional theory method. It turns out that the diradical character of the modified QTs is reduced as compared to those of the pristine QTs. By introducing an appropriate number of oxidized rings into the QT framework, intermediate y values can be achieved even in the systems with large values of n, in which the pristine QTs are predicted to have pure diradical character. Such intermediate diradical oligomers are shown to exhibit enhanced γ values as compared to the pristine QTs with the same value for n. From the calculation results, the introduction of the optimal number of thiophene-S,S-dioxide rings is predicted to be an efficient chemical modification for optimizing the third-order NLO properties of open-shell QTs through tuning the diradical characters. PMID:26670676

  8. Growth, optical, thermal, mechanical and dielectric studies of sodium succinate hexahydrate (β phase) single crystal: A promising third order NLO material

    NASA Astrophysics Data System (ADS)

    Mageshwari, P. S. Latha; Priya, R.; Krishnan, S.; Joseph, V.; Das, S. Jerome

    2016-11-01

    A third order nonlinear optical (NLO)single crystals of sodium succinate hexahydrate (SSH) (β phase) has been grown by a slow evaporation growth technique using aqueous solution at ambient temperature. The lattice parameters and morphology of SSH were determined by single crystal X-ray diffraction analysis. SSH crystallizes in centrosymmetric monoclinic system with space group P 21 / c and the crystalline purity was analyzed by powder X-ray diffraction analysis. The UV-vis-NIR spectrum reveals that the crystal is transparent in the entire visible region. The recorded FT-IR spectrum verified the presence of various functional groups in the material. NMR analysis of the grown crystal confirms the structural elucidation and detects the major and minor functional groups present in the title compound. ICP-OES analysis proved the presence of sodium in SSH. TG-DTA/DSCanalysis was used to investigate the thermal stability of the material. The dielectric permittivity and dielectric loss of SSH were carried out as a function of frequency for different temperatures and the results were discussed. The mechanical stability was evaluated from Vicker's microhardness test. The third order nonlinear optical properties of SSH has been investigated employing Z-scan technique with He-Ne laser operating at 632.8 nm wavelength.

  9. Simulation of Shallow Cumuli and Their Transition to Deep Convective Clouds by Cloud-resolving Models with Different Third-order Turbulence Closures

    NASA Technical Reports Server (NTRS)

    Cheng, Anning; Xu, Kuan-Man

    2006-01-01

    The abilities of cloud-resolving models (CRMs) with the double-Gaussian based and the single-Gaussian based third-order closures (TOCs) to simulate the shallow cumuli and their transition to deep convective clouds are compared in this study. The single-Gaussian based TOC is fully prognostic (FP), while the double-Gaussian based TOC is partially prognostic (PP). The latter only predicts three important third-order moments while the former predicts all the thirdorder moments. A shallow cumulus case is simulated by single-column versions of the FP and PP TOC models. The PP TOC improves the simulation of shallow cumulus greatly over the FP TOC by producing more realistic cloud structures. Large differences between the FP and PP TOC simulations appear in the cloud layer of the second- and third-order moments, which are related mainly to the underestimate of the cloud height in the FP TOC simulation. Sensitivity experiments and analysis of probability density functions (PDFs) used in the TOCs show that both the turbulence-scale condensation and higher-order moments are important to realistic simulations of the boundary-layer shallow cumuli. A shallow to deep convective cloud transition case is also simulated by the 2-D versions of the FP and PP TOC models. Both CRMs can capture the transition from the shallow cumuli to deep convective clouds. The PP simulations produce more and deeper shallow cumuli than the FP simulations, but the FP simulations produce larger and wider convective clouds than the PP simulations. The temporal evolutions of cloud and precipitation are closely related to the turbulent transport, the cold pool and the cloud-scale circulation. The large amount of turbulent mixing associated with the shallow cumuli slows down the increase of the convective available potential energy and inhibits the early transition to deep convective clouds in the PP simulation. When the deep convective clouds fully develop and the precipitation is produced, the cold pools

  10. Accurate static and dynamic properties of liquid electrolytes for Li-ion batteries from ab initio molecular dynamics.

    PubMed

    Ganesh, P; Jiang, De-en; Kent, P R C

    2011-03-31

    Lithium-ion batteries have the potential to revolutionize the transportation industry, as they did for wireless communication. A judicious choice of the liquid electrolytes used in these systems is required to achieve a good balance among high-energy storage, long cycle life and stability, and fast charging. Ethylene-carbonate (EC) and propylene-carbonate (PC) are popular electrolytes. However, to date, almost all molecular-dynamics simulations of these fluids rely on classical force fields, while a complete description of the functionality of Li-ion batteries will eventually require quantum mechanics. We perform accurate ab initio molecular-dynamics simulations of ethylene- and propylene-carbonate with LiPF(6) at experimental concentrations to build solvation models which explain available neutron scattering and nuclear magnetic resonance (NMR) results and to compute Li-ion solvation energies and diffusion constants. Our results suggest some similarities between the two liquids as well as some important differences. Simulations also provide useful insights into formation of solid-electrolyte interphases in the presence of electrodes in conventional Li-ion batteries.

  11. Progress toward time-resolved molecular imaging: A theoretical study of optimal parameters in static photoelectron holography

    NASA Astrophysics Data System (ADS)

    Sun, S. X.-L.; Kaduwela, A. P.; Gray, A. X.; Fadley, C. S.

    2014-05-01

    The availability of short-pulse free-electron lasers has led to the idea of using photoelectron holography as a method of directly imaging molecular dissociations or reactions in real time, as, e.g., in a recent theoretical study by Krasniqi et al., [F. Krasniqi, B. Najjari, L. Strüder, D. Rolles, A. Voitkiv, and J. Ullrich, Phys. Rev. A 81, 033411 (2010), 10.1103/PhysRevA.81.033411]. In this paper, we extend this earlier work and in particular look at two critical questions concerning the optimum type of data required for such holographic imaging: the choice of photoelectron kinetic energy (e.g., ˜300 eV versus ˜1700 eV as in the prior study), and the use of a single energy or multiple energies. After verifying that our calculations fully duplicate those in this prior paper, we show that using lower energies is preferable to using higher energies for image quality, a conclusion consistent with prior photoelectron holography studies at surfaces, and that multiple lower energies in which the hologram effectively spans a volume in kspace yields the best quality images that should be useful for such "molecular movies." Although the amount of data required for such multi-energy holography is roughly an order of magnitude higher than that for single energy, the reduction of artifacts and the improved quality of the images suggest this as the optimum ultimate future strategy for such dynamic imaging.

  12. Photoinduced processes and resonant third-order nonlinearity in poly (3-dodecylthiophene) studied by femtosecond time resolved degenerate four wave mixing

    NASA Astrophysics Data System (ADS)

    Pang, Yang; Prasad, Paras N.

    1990-08-01

    We have investigated the dynamics of resonant third-order optical nonlinearity of chemically prepared poly(3-dodecylthiophene) by the degenerate four wave mixing technique using 60 fs pulses at 620 nm. The measured effective value of χ(3) is 5.5×10-11 esu, sixfold smaller than that obtained with 400 fs pulses, emphasizing the pulse width dependence of effective χ(3) when the relaxation time of the photogenerated excitation responsible for the optical nonlinearity is comparable to the pulse width. Within the resolution of the optical pulse, the rise time of the nonlinear response is instantaneous and the dominant decay occurs within 200 fs, revealing that the short time, nonlinear response is derived from the initially photogenerated excitons. A detailed analysis of the total decay behavior is consistent with the polaron dynamics of the conformational deformation model proposed by Su, Schrieffer, and Heeger for a conjugated linear polymer with bond alternation.

  13. Studies on the growth aspects, structural, thermal, dielectric and third order nonlinear optical properties of solution grown 4-methylpyridinium p-nitrophenolate single crystal

    NASA Astrophysics Data System (ADS)

    Devi, S. Reena; Kalaiyarasi, S.; Zahid, I. MD.; Kumar, R. Mohan

    2016-11-01

    An ionic organic optical crystal of 4-methylpyridinium p-nitrophenolate was grown from methanol by slow evaporation method at ambient temperature. Powder and single crystal X-ray diffraction studies revealed the crystal system and its crystalline perfection. The rocking curve recorded from HRXRD study confirmed the crystal quality. FTIR spectral analysis confirmed the functional groups present in the title compound. UV-visible spectral study revealed the optical window and band gap of grown crystal. The thermal, electrical and surface laser damage threshold properties of harvested crystal were examined by using TGA/DTA, LCR/Impedance Analyzer and Nd:YAG laser system respectively. The third order nonlinear optical property of grown crystal was elucidated by Z-scan technique.

  14. Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator

    NASA Astrophysics Data System (ADS)

    Lefrancois, Daniel; Rehn, Dirk R.; Dreuw, Andreas

    2016-08-01

    For the calculation of adiabatic singlet-triplet gaps (STG) in diradicaloid systems the spin-flip (SF) variant of the algebraic diagrammatic construction (ADC) scheme for the polarization propagator in third order perturbation theory (SF-ADC(3)) has been applied. Due to the methodology of the SF approach the singlet and triplet states are treated on an equal footing since they are part of the same determinant subspace. This leads to a systematically more accurate description of, e.g., diradicaloid systems than with the corresponding non-SF single-reference methods. Furthermore, using analytical excited state gradients at ADC(3) level, geometry optimizations of the singlet and triplet states were performed leading to a fully consistent description of the systems, leading to only small errors in the calculated STGs ranging between 0.6 and 2.4 kcal/mol with respect to experimental references.

  15. Studies on the growth, structural, spectral and third-order nonlinear optical properties of Ammonium 3-carboxy-4-hydroxy benzenesulfonate monohydrate single crystal

    NASA Astrophysics Data System (ADS)

    Silambarasan, A.; Krishna Kumar, M.; Thirunavukkarasu, A.; Mohan Kumar, R.; Umarani, P. R.

    2015-01-01

    An organic nonlinear optical bulk single crystal, Ammonium 3-carboxy-4-hydroxy benzenesulfonate monohydrate (ACHBS) was successfully grown by solution growth technique. Single crystal X-ray diffraction study confirms that, the grown crystal belongs to P21/c space group. Powder X-ray diffraction and high resolution X-ray diffraction analyses revealed the crystallinity of the grown crystal. Infrared spectral analysis showed the vibrational behavior of chemical bonds and its functional groups. The thermal stability and decomposition stages of the grown crystal were studied by TG-DTA analysis. UV-Visible transmittance studies showed the transparency region and cut-off wavelength of the grown crystal. The third-order nonlinear optical susceptibility of the grown crystal was estimated by Z-scan technique using Hesbnd Ne laser source. The mechanical property of the grown crystal was studied by using Vicker's microhardness test.

  16. High-temperature, continuous-wave operation of terahertz quantum-cascade lasers with metal-metal waveguides and third-order distributed feedback.

    PubMed

    Wienold, M; Röben, B; Schrottke, L; Sharma, R; Tahraoui, A; Biermann, K; Grahn, H T

    2014-02-10

    Currently, different competing waveguide and resonator concepts exist for terahertz quantum-cascade lasers (THz QCLs). We examine the continuous-wave (cw) performance of THz QCLs with single-plasmon (SP) and metal-metal (MM) waveguides fabricated from the same wafer. While SP QCLs are superior in terms of output power, the maximum operating temperature for MM QCLs is typically much higher. For SP QCLs, we observed cw operation up to 73 K as compared to 129 K for narrow (≤ 15 μm) MM QCLs. In the latter case, single-mode operation and a narrow beam profile were achieved by applying third-order distributed-feedback gratings and contact pads which are optically insulated from the intended resonators. We present a quantitative analytic model for the beam profile, which is based on experimentally accessible parameters.

  17. Thermodynamics of third-order Lovelock-AdS black holes in the presence of Born-Infeld type nonlinear electrodynamics

    NASA Astrophysics Data System (ADS)

    Hendi, S. H.; Dehghani, A.

    2015-03-01

    In this paper, we obtain topological black hole solutions of third-order Lovelock gravity coupled with two classes of Born-Infeld-type nonlinear electrodynamics with anti-de Sitter asymptotic structure. We investigate geometric and thermodynamics properties of the solutions and obtain conserved quantities of the black holes. We examine the first law of thermodynamics and find that the conserved and thermodynamic quantities of the black hole solutions satisfy the first law of thermodynamics. Finally, we calculate the heat capacity and determinant of the Hessian matrix to evaluate thermal stability in both canonical and grand canonical ensembles. Moreover, we consider the extended phase space thermodynamics to obtain a generalized first law of thermodynamics as well as the extended Smarr formula.

  18. Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator.

    PubMed

    Lefrancois, Daniel; Rehn, Dirk R; Dreuw, Andreas

    2016-08-28

    For the calculation of adiabatic singlet-triplet gaps (STG) in diradicaloid systems the spin-flip (SF) variant of the algebraic diagrammatic construction (ADC) scheme for the polarization propagator in third order perturbation theory (SF-ADC(3)) has been applied. Due to the methodology of the SF approach the singlet and triplet states are treated on an equal footing since they are part of the same determinant subspace. This leads to a systematically more accurate description of, e.g., diradicaloid systems than with the corresponding non-SF single-reference methods. Furthermore, using analytical excited state gradients at ADC(3) level, geometry optimizations of the singlet and triplet states were performed leading to a fully consistent description of the systems, leading to only small errors in the calculated STGs ranging between 0.6 and 2.4 kcal/mol with respect to experimental references. PMID:27586899

  19. Synthesis, spectral and third-order nonlinear optical properties of terpyridine Zn(II) complexes based on carbazole derivative with polyether group

    NASA Astrophysics Data System (ADS)

    Kong, Ming; Liu, Yanqiu; Wang, Hui; Luo, Junshan; Li, Dandan; Zhang, Shengyi; Li, Shengli; Wu, Jieying; Tian, Yupeng

    2015-01-01

    Four novel Zn(II) terpyridine complexes (ZnLCl2, ZnLBr2, ZnLI2, ZnL(SCN)2) based on carbazole derivative group were designed, synthesized and fully characterized. Their photophysical properties including absorption and one-photon excited fluorescence, two-photon absorption (TPA) and optical power limiting (OPL) were further investigated systematically and interpreted on the basis of theoretical calculations (TD-DFT). The influences of different solvents on the absorption and One-Photon Excited Fluorescence (OPEF) spectral behavior, quantum yields and the lifetime of the chromophores have been investigated in detail. The third-order nonlinear optical (NLO) properties were investigated by open/closed aperture Z-scan measurements using femtosecond pulse laser in the range from 680 to 1080 nm. These results revealed that ZnLCl2 and ZnLBr2 exhibited strong two-photon absorption and ZnLCl2 showed superior optical power limiting property.

  20. Construction of Giant-Spin Hamiltonians from Many-Spin Hamiltonians by Third-Order Perturbation Theory and Application to an Fe3 Cr Single-Molecule Magnet.

    PubMed

    Tabrizi, Shadan Ghassemi; Arbuznikov, Alexei V; Kaupp, Martin

    2016-05-10

    A general giant-spin Hamiltonian (GSH) describing an effective spin multiplet of an exchange-coupled metal cluster with dominant Heisenberg interactions was derived from a many-spin Hamiltonian (MSH) by treating anisotropic interactions at the third order of perturbation theory. Going beyond the existing second-order perturbation treatment allows irreducible tensor operators of rank six (or corresponding Stevens operator equivalents) in the GSH to be obtained. Such terms were found to be of crucial importance for the fitting of high-field EPR spectra of a number of single-molecule magnets (SMMs). Also, recent magnetization measurements on trigonal and tetragonal SMMs have found the inclusion of such high-rank axial and transverse terms to be necessary to account for experimental data in terms of giant-spin models. While mixing of spin multiplets by local zero-field splitting interactions was identified as the major origin of these contributions to the GSH, a direct and efficient microscopic explanation had been lacking. The third-order approach developed in this work is used to illustrate the mapping of an MSH onto a GSH for an S=6 trigonal Fe3 Cr complex that was recently investigated by high-field EPR spectroscopy. Comparisons between MSH and GSH consider the simulation of EPR data with both Hamiltonians, as well as locations of diabolical points (conical intersections) in magnetic-field space. The results question the ability of present high-field EPR techniques to determine high-rank zero-field splitting terms uniquely, and lead to a revision of the experimental GSH parameters of the Fe3 Cr SMM. Indeed, a bidirectional mapping between MSH and GSH effectively constrains the number of free parameters in the GSH. This notion may in the future facilitate spectral fitting for highly symmetric SMMs. PMID:27062248

  1. Investigation of third order nonlinear optical properties of undoped and indium doped zinc oxide (InZnO) thin films by nanosecond Z-scan technique

    NASA Astrophysics Data System (ADS)

    Htwe, Zin Maung; Zhang, Yun-Dong; Yao, Cheng-Bao; Li, Hui; Li, Han-Yang; Yuan, Ping

    2016-02-01

    We report the investigation of third order nonlinear optical properties of undoped zinc oxide and indium doped zinc oxide thin films using nanosecond (6 ns, 18 μJ at 532 nm) Z-scan technique. Undoped (ZnO) and indium doped zinc oxide (InZnO) thin films were synthesized on quart silica substrate by using radio frequency (RF) magnetron sputtering technique. The structural and characterization of deposited thin films were analyzed by X-ray diffraction (XRD). In XRD results show different behaviors as amorphous oxide semiconductor and polycrystalline oxide semiconductor for ZnO and InZnO thin films respectively. Elemental compositions of thin films were analyzed by energy dispersive spectrometer (EDS). Surface morphology of ZnO and InZnO films were measured by using scanning electron microscopy (SEM), which show uniform and regular surface with small grain size distribution. Linear optical transmission and reflection thin films were analyzed by UV-VIS spectrometer. The UV-VIS results reveal that the optical transmittances of deposited thin films were increased after doping indium. The third order nonlinear optical properties of ZnO and InZnO thin films were carried out using nanosecond (6 ns) laser Z-scan technique at 532 nm wavelength. In open aperture case, both ZnO and InZnO thin films are show reverse saturable absorption (RSA) behaviors. For close-aperture Z-scan, the transmittance curve of ZnO thin film occurs as valley-peak (positive nonlinear refraction) characteristic, which indicates self-focusing behavior.

  2. Construction of Giant-Spin Hamiltonians from Many-Spin Hamiltonians by Third-Order Perturbation Theory and Application to an Fe3 Cr Single-Molecule Magnet.

    PubMed

    Tabrizi, Shadan Ghassemi; Arbuznikov, Alexei V; Kaupp, Martin

    2016-05-10

    A general giant-spin Hamiltonian (GSH) describing an effective spin multiplet of an exchange-coupled metal cluster with dominant Heisenberg interactions was derived from a many-spin Hamiltonian (MSH) by treating anisotropic interactions at the third order of perturbation theory. Going beyond the existing second-order perturbation treatment allows irreducible tensor operators of rank six (or corresponding Stevens operator equivalents) in the GSH to be obtained. Such terms were found to be of crucial importance for the fitting of high-field EPR spectra of a number of single-molecule magnets (SMMs). Also, recent magnetization measurements on trigonal and tetragonal SMMs have found the inclusion of such high-rank axial and transverse terms to be necessary to account for experimental data in terms of giant-spin models. While mixing of spin multiplets by local zero-field splitting interactions was identified as the major origin of these contributions to the GSH, a direct and efficient microscopic explanation had been lacking. The third-order approach developed in this work is used to illustrate the mapping of an MSH onto a GSH for an S=6 trigonal Fe3 Cr complex that was recently investigated by high-field EPR spectroscopy. Comparisons between MSH and GSH consider the simulation of EPR data with both Hamiltonians, as well as locations of diabolical points (conical intersections) in magnetic-field space. The results question the ability of present high-field EPR techniques to determine high-rank zero-field splitting terms uniquely, and lead to a revision of the experimental GSH parameters of the Fe3 Cr SMM. Indeed, a bidirectional mapping between MSH and GSH effectively constrains the number of free parameters in the GSH. This notion may in the future facilitate spectral fitting for highly symmetric SMMs.

  3. Human aquaporin 4 gating dynamics under and after nanosecond-scale static and alternating electric-field impulses: A molecular dynamics study of field effects and relaxation

    NASA Astrophysics Data System (ADS)

    Reale, Riccardo; English, Niall J.; Garate, José-Antonio; Marracino, Paolo; Liberti, Micaela; Apollonio, Francesca

    2013-11-01

    Water self-diffusion and the dipolar response of the selectivity filter within human aquaporin 4 have been studied using molecular dynamics (MD) simulations in the absence and presence of pulses of external static and alternating electric fields. The pulses were approximately 50 and 100 ns in duration and 0.0065 V/Å in (r.m.s.) intensity and were either static or else 2.45 or 100 GHz in frequency and applied both along and perpendicular to the channels. In addition, the relaxation of the aquaporin, water self-diffusion and gating dynamics following cessation of the impulses was studied. In previous work it was determined that switches in the dihedral angle of the selectivity filter led to boosting of water permeation events within the channels, in the presence of identical external static and alternating electric fields, although applied continuously. Here the application of field impulses (and subsequently, upon removal) has shown that it is the dipolar orientation of the histidine-201 residue in the selectivity filter which governs the dihedral angle, and hence influences water self-diffusion; this constitutes an appropriate order parameter. The dipolar response of this residue to the applied field leads to the adoption of four distinct states, which we modelled as time-homogeneous Markov jump processes, and may be distinguished in the potential of mean force (PMF) as a function of the dipolar orientation of histidine-201. The observations of enhanced "dipolar flipping" of H201 serve to explain increased levels of water self-diffusion within aquaporin channels during, and immediately following, field impulses, although the level of statistical certainty here is lower. Given the appreciable size of the energy barriers evident in PMFs computed directly from deterministic MD (whether in the absence or presence of external fields), metadynamics calculations were undertaken to explore the free-energy landscape of histidine-201 orientation with greater accuracy and

  4. Human aquaporin 4 gating dynamics under and after nanosecond-scale static and alternating electric-field impulses: a molecular dynamics study of field effects and relaxation.

    PubMed

    Reale, Riccardo; English, Niall J; Garate, José-Antonio; Marracino, Paolo; Liberti, Micaela; Apollonio, Francesca

    2013-11-28

    Water self-diffusion and the dipolar response of the selectivity filter within human aquaporin 4 have been studied using molecular dynamics (MD) simulations in the absence and presence of pulses of external static and alternating electric fields. The pulses were approximately 50 and 100 ns in duration and 0.0065 V/Å in (r.m.s.) intensity and were either static or else 2.45 or 100 GHz in frequency and applied both along and perpendicular to the channels. In addition, the relaxation of the aquaporin, water self-diffusion and gating dynamics following cessation of the impulses was studied. In previous work it was determined that switches in the dihedral angle of the selectivity filter led to boosting of water permeation events within the channels, in the presence of identical external static and alternating electric fields, although applied continuously. Here the application of field impulses (and subsequently, upon removal) has shown that it is the dipolar orientation of the histidine-201 residue in the selectivity filter which governs the dihedral angle, and hence influences water self-diffusion; this constitutes an appropriate order parameter. The dipolar response of this residue to the applied field leads to the adoption of four distinct states, which we modelled as time-homogeneous Markov jump processes, and may be distinguished in the potential of mean force (PMF) as a function of the dipolar orientation of histidine-201. The observations of enhanced "dipolar flipping" of H201 serve to explain increased levels of water self-diffusion within aquaporin channels during, and immediately following, field impulses, although the level of statistical certainty here is lower. Given the appreciable size of the energy barriers evident in PMFs computed directly from deterministic MD (whether in the absence or presence of external fields), metadynamics calculations were undertaken to explore the free-energy landscape of histidine-201 orientation with greater accuracy and

  5. Coupling the finite element method and molecular dynamics in the framework of the heterogeneous multiscale method for quasi-static isothermal problems

    NASA Astrophysics Data System (ADS)

    Ulz, Manfred H.

    2015-01-01

    Multiscale models are designed to handle problems with different length scales and time scales in a suitable and efficient manner. Such problems include inelastic deformation or failure of materials. In particular, hierarchical multiscale methods are computationally powerful as no direct coupling between the scales is given. This paper proposes a hierarchical two-scale setting appropriate for isothermal quasi-static problems: a macroscale treated by continuum mechanics and the finite element method and a microscale modelled by a canonical ensemble of statistical mechanics solved with molecular dynamics. This model will be implemented into the framework of the heterogeneous multiscale method. The focus is laid on an efficient coupling of the macro- and micro-solvers. An iterative solution algorithm presents the macroscopic solver, which invokes for each iteration an atomistic computation. As the microscopic computation is considered to be very time consuming, two optimisation strategies are proposed. Firstly, the macroscopic solver is chosen to reduce the number of required iterations to a minimum. Secondly, the number of time steps used for the time average on the microscale will be increased with each iteration. As a result, the molecular dynamics cell will be allowed to reach its state of thermodynamic equilibrium only in the last macroscopic iteration step. In the preceding iteration steps, the molecular dynamics cell will reach a state close to equilibrium by using considerably fewer microscopic time steps. This adapted number of microsteps will result in an accelerated algorithm (aFE-MD-HMM) obtaining the same accuracy of results at significantly reduced computational cost. Numerical examples demonstrate the performance of the proposed scheme.

  6. Azimuthal-Angle Dependence of Charged-Pion-Interferometry Measurements with Respect to Second- and Third-Order Event Planes in Au +Au Collisions at √sNN =200 GeV

    NASA Astrophysics Data System (ADS)

    Adare, A.; Afanasiev, S.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Al-Bataineh, H.; Alexander, J.; Aoki, K.; Aramaki, Y.; Atomssa, E. T.; Averbeck, R.; Awes, T. C.; Azmoun, B.; Babintsev, V.; Bai, M.; Baksay, G.; Baksay, L.; Barish, K. N.; Bassalleck, B.; Basye, A. T.; Bathe, S.; Baublis, V.; Baumann, C.; Bazilevsky, A.; Belikov, S.; Belmont, R.; Bennett, R.; Berdnikov, A.; Berdnikov, Y.; Bickley, A. A.; Bok, J. S.; Boyle, K.; Brooks, M. L.; Buesching, H.; Bumazhnov, V.; Bunce, G.; Butsyk, S.; Camacho, C. M.; Campbell, S.; Chen, C.-H.; Chi, C. Y.; Chiu, M.; Choi, I. J.; Choudhury, R. K.; Christiansen, P.; Chujo, T.; Chung, P.; Chvala, O.; Cianciolo, V.; Citron, Z.; Cole, B. A.; Connors, M.; Constantin, P.; Csanád, M.; Csörgő, T.; Dahms, T.; Dairaku, S.; Danchev, I.; Das, K.; Datta, A.; David, G.; Denisov, A.; Deshpande, A.; Desmond, E. J.; Dietzsch, O.; Dion, A.; Donadelli, M.; Drapier, O.; Drees, A.; Drees, K. A.; Durham, J. M.; Durum, A.; Dutta, D.; Edwards, S.; Efremenko, Y. V.; Ellinghaus, F.; Engelmore, T.; Enokizono, A.; En'yo, H.; Esumi, S.; Fadem, B.; Fields, D. E.; Finger, M.; Finger, M.; Fleuret, F.; Fokin, S. L.; Fraenkel, Z.; Frantz, J. E.; Franz, A.; Frawley, A. D.; Fujiwara, K.; Fukao, Y.; Fusayasu, T.; Garishvili, I.; Glenn, A.; Gong, H.; Gonin, M.; Goto, Y.; Granier de Cassagnac, R.; Grau, N.; Greene, S. V.; Grosse Perdekamp, M.; Gunji, T.; Gustafsson, H.-Å.; Haggerty, J. S.; Hahn, K. I.; Hamagaki, H.; Hamblen, J.; Han, R.; Hanks, J.; Hartouni, E. P.; Haslum, E.; Hayano, R.; He, X.; Heffner, M.; Hemmick, T. K.; Hester, T.; Hill, J. C.; Hohlmann, M.; Holzmann, W.; Homma, K.; Hong, B.; Horaguchi, T.; Hornback, D.; Huang, S.; Ichihara, T.; Ichimiya, R.; Ide, J.; Ikeda, Y.; Imai, K.; Inaba, M.; Isenhower, D.; Ishihara, M.; Isobe, T.; Issah, M.; Isupov, A.; Ivanischev, D.; Jacak, B. V.; Jia, J.; Jin, J.; Johnson, B. M.; Joo, K. S.; Jouan, D.; Jumper, D. S.; Kajihara, F.; Kametani, S.; Kamihara, N.; Kamin, J.; Kang, J. H.; Kapustinsky, J.; Karatsu, K.; Kawall, D.; Kawashima, M.; Kazantsev, A. V.; Kempel, T.; Khanzadeev, A.; Kijima, K. M.; Kim, B. I.; Kim, D. H.; Kim, D. J.; Kim, E.; Kim, E.-J.; Kim, S. H.; Kim, Y.-J.; Kinney, E.; Kiriluk, K.; Kiss, Á.; Kistenev, E.; Kochenda, L.; Komkov, B.; Konno, M.; Koster, J.; Kotchetkov, D.; Kozlov, A.; Král, A.; Kravitz, A.; Kunde, G. J.; Kurita, K.; Kurosawa, M.; Kwon, Y.; Kyle, G. S.; Lacey, R.; Lai, Y. S.; Lajoie, J. G.; Lebedev, A.; Lee, D. M.; Lee, J.; Lee, K.; Lee, K. B.; Lee, K. S.; Leitch, M. J.; Leite, M. A. L.; Leitner, E.; Lenzi, B.; Li, X.; Liebing, P.; Linden Levy, L. A.; Liška, T.; Litvinenko, A.; Liu, H.; Liu, M. X.; Love, B.; Luechtenborg, R.; Lynch, D.; Maguire, C. F.; Makdisi, Y. I.; Malakhov, A.; Malik, M. D.; Manko, V. I.; Mannel, E.; Mao, Y.; Masui, H.; Matathias, F.; McCumber, M.; McGaughey, P. L.; Means, N.; Meredith, B.; Miake, Y.; Mignerey, A. C.; Mikeš, P.; Miki, K.; Milov, A.; Mishra, M.; Mitchell, J. T.; Mohanty, A. K.; Morino, Y.; Morreale, A.; Morrison, D. P.; Moukhanova, T. V.; Murata, J.; Nagamiya, S.; Nagle, J. L.; Naglis, M.; Nagy, M. I.; Nakagawa, I.; Nakamiya, Y.; Nakamura, T.; Nakano, K.; Newby, J.; Nguyen, M.; Niida, T.; Nouicer, R.; Nyanin, A. S.; O'Brien, E.; Oda, S. X.; Ogilvie, C. A.; Oka, M.; Okada, K.; Onuki, Y.; Oskarsson, A.; Ouchida, M.; Ozawa, K.; Pak, R.; Pantuev, V.; Papavassiliou, V.; Park, I. H.; Park, J.; Park, S. K.; Park, W. J.; Pate, S. F.; Pei, H.; Peng, J.-C.; Pereira, H.; Peresedov, V.; Peressounko, D. Yu.; Pinkenburg, C.; Pisani, R. P.; Proissl, M.; Purschke, M. L.; Purwar, A. K.; Qu, H.; Rak, J.; Rakotozafindrabe, A.; Ravinovich, I.; Read, K. F.; Reygers, K.; Riabov, V.; Riabov, Y.; Richardson, E.; Roach, D.; Roche, G.; Rolnick, S. D.; Rosati, M.; Rosen, C. A.; Rosendahl, S. S. E.; Rosnet, P.; Rukoyatkin, P.; Ružička, P.; Sahlmueller, B.; Saito, N.; Sakaguchi, T.; Sakashita, K.; Samsonov, V.; Sano, S.; Sato, T.; Sawada, S.; Sedgwick, K.; Seele, J.; Seidl, R.; Semenov, A. Yu.; Seto, R.; Sharma, D.; Shein, I.; Shibata, T.-A.; Shigaki, K.; Shimomura, M.; Shoji, K.; Shukla, P.; Sickles, A.; Silva, C. L.; Silvermyr, D.; Silvestre, C.; Sim, K. S.; Singh, B. K.; Singh, C. P.; Singh, V.; Slunečka, M.; Soltz, R. A.; Sondheim, W. E.; Sorensen, S. P.; Sourikova, I. V.; Sparks, N. A.; Stankus, P. W.; Stenlund, E.; Stoll, S. P.; Sugitate, T.; Sukhanov, A.; Sziklai, J.; Takagui, E. M.; Taketani, A.; Tanabe, R.; Tanaka, Y.; Tanida, K.; Tannenbaum, M. J.; Tarafdar, S.; Taranenko, A.; Tarján, P.; Themann, H.; Thomas, T. L.; Todoroki, T.; Togawa, M.; Toia, A.; Tomášek, L.; Torii, H.; Towell, R. S.; Tserruya, I.; Tsuchimoto, Y.; Vale, C.; Valle, H.; van Hecke, H. W.; Vazquez-Zambrano, E.; Veicht, A.; Velkovska, J.; Vértesi, R.; Vinogradov, A. A.; Virius, M.; Vrba, V.; Vznuzdaev, E.; Wang, X. R.; Watanabe, D.; Watanabe, K.; Watanabe, Y.; Wei, F.; Wei, R.; Wessels, J.; White, S. N.; Winter, D.; Wood, J. P.; Woody, C. L.; Wright, R. M.; Wysocki, M.; Xie, W.; Yamaguchi, Y. L.; Yamaura, K.; Yang, R.; Yanovich, A.; Ying, J.; Yokkaichi, S.; You, Z.; Young, G. R.; Younus, I.; Yushmanov, I. E.; Zajc, W. A.; Zhang, C.; Zhou, S.; Zolin, L.; Phenix Collaboration

    2014-06-01

    Charged-pion-interferometry measurements were made with respect to the second- and third-order event plane for Au +Au collisions at √sNN =200 GeV. A strong azimuthal-angle dependence of the extracted Gaussian-source radii was observed with respect to both the second- and third-order event planes. The results for the second-order dependence indicate that the initial eccentricity is reduced during the medium evolution, which is consistent with previous results. In contrast, the results for the third-order dependence indicate that the initial triangular shape is significantly reduced and potentially reversed by the end of the medium evolution, and that the third-order oscillations are largely dominated by the dynamical effects from triangular flow.

  7. Azimuthal-angle dependence of charged-pion-interferometry measurements with respect to second- and third-order event planes in Au+Au collisions at √[S(NN)]=200  GeV.

    PubMed

    Adare, A; Afanasiev, S; Aidala, C; Ajitanand, N N; Akiba, Y; Al-Bataineh, H; Alexander, J; Aoki, K; Aramaki, Y; Atomssa, E T; Averbeck, R; Awes, T C; Azmoun, B; Babintsev, V; Bai, M; Baksay, G; Baksay, L; Barish, K N; Bassalleck, B; Basye, A T; Bathe, S; Baublis, V; Baumann, C; Bazilevsky, A; Belikov, S; Belmont, R; Bennett, R; Berdnikov, A; Berdnikov, Y; Bickley, A A; Bok, J S; Boyle, K; Brooks, M L; Buesching, H; Bumazhnov, V; Bunce, G; Butsyk, S; Camacho, C M; Campbell, S; Chen, C-H; Chi, C Y; Chiu, M; Choi, I J; Choudhury, R K; Christiansen, P; Chujo, T; Chung, P; Chvala, O; Cianciolo, V; Citron, Z; Cole, B A; Connors, M; Constantin, P; Csanád, M; Csörgő, T; Dahms, T; Dairaku, S; Danchev, I; Das, K; Datta, A; David, G; Denisov, A; Deshpande, A; Desmond, E J; Dietzsch, O; Dion, A; Donadelli, M; Drapier, O; Drees, A; Drees, K A; Durham, J M; Durum, A; Dutta, D; Edwards, S; Efremenko, Y V; Ellinghaus, F; Engelmore, T; Enokizono, A; En'yo, H; Esumi, S; Fadem, B; Fields, D E; Finger, M; Finger, M; Fleuret, F; Fokin, S L; Fraenkel, Z; Frantz, J E; Franz, A; Frawley, A D; Fujiwara, K; Fukao, Y; Fusayasu, T; Garishvili, I; Glenn, A; Gong, H; Gonin, M; Goto, Y; Granier de Cassagnac, R; Grau, N; Greene, S V; Grosse Perdekamp, M; Gunji, T; Gustafsson, H-Å; Haggerty, J S; Hahn, K I; Hamagaki, H; Hamblen, J; Han, R; Hanks, J; Hartouni, E P; Haslum, E; Hayano, R; He, X; Heffner, M; Hemmick, T K; Hester, T; Hill, J C; Hohlmann, M; Holzmann, W; Homma, K; Hong, B; Horaguchi, T; Hornback, D; Huang, S; Ichihara, T; Ichimiya, R; Ide, J; Ikeda, Y; Imai, K; Inaba, M; Isenhower, D; Ishihara, M; Isobe, T; Issah, M; Isupov, A; Ivanischev, D; Jacak, B V; Jia, J; Jin, J; Johnson, B M; Joo, K S; Jouan, D; Jumper, D S; Kajihara, F; Kametani, S; Kamihara, N; Kamin, J; Kang, J H; Kapustinsky, J; Karatsu, K; Kawall, D; Kawashima, M; Kazantsev, A V; Kempel, T; Khanzadeev, A; Kijima, K M; Kim, B I; Kim, D H; Kim, D J; Kim, E; Kim, E-J; Kim, S H; Kim, Y-J; Kinney, E; Kiriluk, K; Kiss, A; Kistenev, E; Kochenda, L; Komkov, B; Konno, M; Koster, J; Kotchetkov, D; Kozlov, A; Král, A; Kravitz, A; Kunde, G J; Kurita, K; Kurosawa, M; Kwon, Y; Kyle, G S; Lacey, R; Lai, Y S; Lajoie, J G; Lebedev, A; Lee, D M; Lee, J; Lee, K; Lee, K B; Lee, K S; Leitch, M J; Leite, M A L; Leitner, E; Lenzi, B; Li, X; Liebing, P; Linden Levy, L A; Liška, T; Litvinenko, A; Liu, H; Liu, M X; Love, B; Luechtenborg, R; Lynch, D; Maguire, C F; Makdisi, Y I; Malakhov, A; Malik, M D; Manko, V I; Mannel, E; Mao, Y; Masui, H; Matathias, F; McCumber, M; McGaughey, P L; Means, N; Meredith, B; Miake, Y; Mignerey, A C; Mikeš, P; Miki, K; Milov, A; Mishra, M; Mitchell, J T; Mohanty, A K; Morino, Y; Morreale, A; Morrison, D P; Moukhanova, T V; Murata, J; Nagamiya, S; Nagle, J L; Naglis, M; Nagy, M I; Nakagawa, I; Nakamiya, Y; Nakamura, T; Nakano, K; Newby, J; Nguyen, M; Niida, T; Nouicer, R; Nyanin, A S; O'Brien, E; Oda, S X; Ogilvie, C A; Oka, M; Okada, K; Onuki, Y; Oskarsson, A; Ouchida, M; Ozawa, K; Pak, R; Pantuev, V; Papavassiliou, V; Park, I H; Park, J; Park, S K; Park, W J; Pate, S F; Pei, H; Peng, J-C; Pereira, H; Peresedov, V; Peressounko, D Yu; Pinkenburg, C; Pisani, R P; Proissl, M; Purschke, M L; Purwar, A K; Qu, H; Rak, J; Rakotozafindrabe, A; Ravinovich, I; Read, K F; Reygers, K; Riabov, V; Riabov, Y; Richardson, E; Roach, D; Roche, G; Rolnick, S D; Rosati, M; Rosen, C A; Rosendahl, S S E; Rosnet, P; Rukoyatkin, P; Ružička, P; Sahlmueller, B; Saito, N; Sakaguchi, T; Sakashita, K; Samsonov, V; Sano, S; Sato, T; Sawada, S; Sedgwick, K; Seele, J; Seidl, R; Semenov, A Yu; Seto, R; Sharma, D; Shein, I; Shibata, T-A; Shigaki, K; Shimomura, M; Shoji, K; Shukla, P; Sickles, A; Silva, C L; Silvermyr, D; Silvestre, C; Sim, K S; Singh, B K; Singh, C P; Singh, V; Slunečka, M; Soltz, R A; Sondheim, W E; Sorensen, S P; Sourikova, I V; Sparks, N A; Stankus, P W; Stenlund, E; Stoll, S P; Sugitate, T; Sukhanov, A; Sziklai, J; Takagui, E M; Taketani, A; Tanabe, R; Tanaka, Y; Tanida, K; Tannenbaum, M J; Tarafdar, S; Taranenko, A; Tarján, P; Themann, H; Thomas, T L; Todoroki, T; Togawa, M; Toia, A; Tomášek, L; Torii, H; Towell, R S; Tserruya, I; Tsuchimoto, Y; Vale, C; Valle, H; van Hecke, H W; Vazquez-Zambrano, E; Veicht, A; Velkovska, J; Vértesi, R; Vinogradov, A A; Virius, M; Vrba, V; Vznuzdaev, E; Wang, X R; Watanabe, D; Watanabe, K; Watanabe, Y; Wei, F; Wei, R; Wessels, J; White, S N; Winter, D; Wood, J P; Woody, C L; Wright, R M; Wysocki, M; Xie, W; Yamaguchi, Y L; Yamaura, K; Yang, R; Yanovich, A; Ying, J; Yokkaichi, S; You, Z; Young, G R; Younus, I; Yushmanov, I E; Zajc, W A; Zhang, C; Zhou, S; Zolin, L

    2014-06-01

    Charged-pion-interferometry measurements were made with respect to the second- and third-order event plane for Au+Au collisions at sqrt[s_{NN}]=200  GeV. A strong azimuthal-angle dependence of the extracted Gaussian-source radii was observed with respect to both the second- and third-order event planes. The results for the second-order dependence indicate that the initial eccentricity is reduced during the medium evolution, which is consistent with previous results. In contrast, the results for the third-order dependence indicate that the initial triangular shape is significantly reduced and potentially reversed by the end of the medium evolution, and that the third-order oscillations are largely dominated by the dynamical effects from triangular flow.

  8. Synthesis, growth, structural and HOMO and LUMO, MEP analysis of a new stilbazolium derivative crystal: A enhanced third-order NLO properties with a high laser-induced damage threshold for NLO applications

    NASA Astrophysics Data System (ADS)

    Senthil, K.; Kalainathan, S.; Hamada, F.; Yamada, M.; Aravindan, P. G.

    2015-08-01

    the grown crystals. Its third-order nonlinear optical properties were investigated by Z-scan technique and proved that the 4MSTB crystal possesses two-photon absorptions (TPA) and the self-defocusing effect. The second-order molecular hyperpolarizability (γ) value at 632.8 nm is calculated to be 3.555 × 10-34 esu. The photoconductivity study of 4MSTB reveals that the negative photoconducting nature. The obtained all the results in the present work are making a 4MSTB promising candidate for the possible applications in optical switches, optical power limiter, and non-linear optical applications.

  9. Sol–gel synthesis of silver nanocrystals embedded in sodium borosilicate monolithic transparent glass with giant third-order optical nonlinearities

    SciTech Connect

    Pei, Lang; Xiang, Weidong; Zhao, Xiuli; Liang, Xiaojuan; Yang, Xinyu; Liu, Haitao; Chen, Zhaoping; Xie, Cuiping; Ma, Xin; Zhang, Chenglong; Ma, Li; Zhao, Jialong

    2014-11-15

    Highlights: • We prepared Ag-doped sodium borosilicate monolithic glass. • The influence of temperature on the SPR absorption peak intensity was studied. • Nonlinear optical properties of the glass were investigated. • A mechanism for the formation of Ag quantum dots glass was proposed. - Abstract: We report the preparation of uniform spherical shape silver nanocrystals doped sodium borosilicate monolithic transparent glass by sol–gel method. The characterization of the resulting Ag nanocrystals was accomplished by using X-ray powder diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and energy dispersive X-ray spectrum. Surface plasma resonance absorption peaks of the silver nanocrystals glass at about 406 nm have been obtained from ultraviolet–visible absorption spectrometer and their intensity is changed with different heat treatment temperatures. We have investigated the nonlinear optical properties of silver quantum dots doped glass using Z-scan technique. Third-order nonlinear optical susceptibility χ{sup (3)} of the glass was estimated to be 1.01 × 10{sup −11} esu. In particular, a mechanism for the formation of Ag quantum dots glass is proposed. This work will significantly promote the obtained material applications in optical devices.

  10. Third order optical non-linear (Z-scan), birefringence, photoluminescence, mechanical and etching studies on melaminium levulinate monohydrate (MLM) single crystal for optical device applications

    NASA Astrophysics Data System (ADS)

    Sivakumar, N.; Anbalagan, G.

    2016-10-01

    Z-scan studies on the grown crystal was investigated by diode-pumped Nd; YAG laser. Nonlinear refractive index (n2) and third-order nonlinear optical susceptibility (χ3) values of MLM were found to be -1.0 × 10-8 cm2/W and 1.36 × 10-6 esu respectively. Powder X-ray diffraction analysis depicted that the crystal belongs to monoclinic system with space group P21/c. Birefringence study revealed the optical dispersion behavior of MLM crystal. Linear refractive index on (10-1) plane was measured by prism coupling technique and was estimated to be 1.4705. Hardness study was carried out along three different planes which exhibit hardness anisotropy of 41.11%. Meyer's index values of the grown crystal for the (10-1), (010) and (111) planes were found to be 2.39, 2.61 and 2.04 respectively. Etching studies on the prominent (10-1) growth plane was explained by two dimensional layer growth mechanisms. Photoluminescence study was performed on MLM crystal to explore its efficacy towards optical device fabrications.

  11. Roles of drizzle in a one-dimensional third-order turbulence closure model of the nocturnal stratus-topped marine boundary layer

    NASA Technical Reports Server (NTRS)

    Wang, Shouping; Wang, Qing

    1994-01-01

    This study focuses on the effects of drizzle in a one-dimensional third-order turbulence closure model of the nocturnal stratus-topped marine boundary layer. When the simulated drizzle rate is relatively small (maximum approximately equal to 0.6 mm/day), steady-state solutions are obtained. The boundary layer stabilizes essentially because drizzle causes evaporative cooling of the subcloud layer. This stabilization considerably reduces the buoyancy flux and turbulence kinetic energy below the stratus cloud. Thus, drizzle tends to decouple the cloud from the subcloud layer in the model, as suggested by many observational studies. In addition, the evaporation of drizzle in the subcloud layer creates small scattered clouds, which are likely to represent cumulus clouds, below the solid stratus cloud in the model. The sensitivity experiments show that these scattered clouds help maintain a coupled boundary layer. When the drizzle rate is relatively large (maximum approximately equal to 0.9 mm/day), the response of the model becomes transient with bursts in turbulent fluxes. This phenomenon is related to the formation of the scattered cloud layer below the solid stratus cloud. It appears that the model is inadequate to represent the heat and moisture transport by strong updrafts covering a small fractional area in cumulus convection.

  12. Studies on the growth, spectral, structural, electrical, optical and mechanical properties of Uronium 3-carboxy-4-hydroxybenzenesulfonate single crystal for third-order nonlinear optical applications

    NASA Astrophysics Data System (ADS)

    Silambarasan, A.; Krishna Kumar, M.; Thirunavukkarasu, A.; Md Zahid, I.; Mohan Kumar, R.; Umarani, P. R.

    2015-05-01

    Organic Uronium 3-carboxy-4-hydroxybenzenesulfonate (UCHBS) nonlinear optical single crystal was grown by solution growth technique. The solubility and nucleation studies were performed for UCHBS at different temperatures 30, 35, 40, 45, 50 and 55 °C. The crystal structure of UCHBS was elucidated from single crystal X-ray diffraction study. High resolution X-ray diffraction technique was employed to study the perfection and internal defects of UCHBS crystal. Infrared and Raman spectra were recorded to analyze the vibrational behavior of chemical bonds and its functional groups. The physico-chemical changes, stability and decomposition stages of the UCHBS compound were established by TG-DTA studies. The dielectric phenomenon of UCHBS crystal was studied at different temperatures with respect to frequency. Linear optical properties of transmittance, cut-off wavelength, band gap of UCHBS were found from UV-visible spectral studies. Third-order nonlinear optical susceptibility, nonlinear refractive index, nonlinear optical absorption coefficient values were measured by Z-scan technique. The mechanical properties of UCHBS crystal was studied by using Vicker's microhardness test. The growth features of UCHBS crystal were analyzed from etching studies.

  13. Toward Realistic Simulation of low-Level Clouds Using a Multiscale Modeling Framework With a Third-Order Turbulence Closure in its Cloud-Resolving Model Component

    NASA Technical Reports Server (NTRS)

    Xu, Kuan-Man; Cheng, Anning

    2010-01-01

    This study presents preliminary results from a multiscale modeling framework (MMF) with an advanced third-order turbulence closure in its cloud-resolving model (CRM) component. In the original MMF, the Community Atmosphere Model (CAM3.5) is used as the host general circulation model (GCM), and the System for Atmospheric Modeling with a first-order turbulence closure is used as the CRM for representing cloud processes in each grid box of the GCM. The results of annual and seasonal means and diurnal variability are compared between the modified and original MMFs and the CAM3.5. The global distributions of low-level cloud amounts and precipitation and the amounts of low-level clouds in the subtropics and middle-level clouds in mid-latitude storm track regions in the modified MMF show substantial improvement relative to the original MMF when both are compared to observations. Some improvements can also be seen in the diurnal variability of precipitation.

  14. Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: the COSX-SCS-MP3 method

    NASA Astrophysics Data System (ADS)

    Izsák, Róbert; Neese, Frank

    2013-07-01

    The 'chain of spheres' approximation, developed earlier for the efficient evaluation of the self-consistent field exchange term, is introduced here into the evaluation of the external exchange term of higher order correlation methods. Its performance is studied in the specific case of the spin-component-scaled third-order Møller--Plesset perturbation (SCS-MP3) theory. The results indicate that the approximation performs excellently in terms of both computer time and achievable accuracy. Significant speedups over a conventional method are obtained for larger systems and basis sets. Owing to this development, SCS-MP3 calculations on molecules of the size of penicillin (42 atoms) with a polarised triple-zeta basis set can be performed in ∼3 hours using 16 cores of an Intel Xeon E7-8837 processor with a 2.67 GHz clock speed, which represents a speedup by a factor of 8-9 compared to the previously most efficient algorithm. Thus, the increased accuracy offered by SCS-MP3 can now be explored for at least medium-sized molecules.

  15. Design, synthesis and excellent third-order NLO properties of two new polyoxometalates constructed from Keggin polyanions bonded by a solvent molecule.

    PubMed

    Miao, Hao; Dong, Yayu; Chen, Ziwang; He, Xingxiang; Hu, Gonghao; Xu, Yan

    2016-08-01

    Two new monosubstituted Keggin structural polyoxometalates [H5PMo11O39Zn(C5H5N)]·(C5H5N)5·H2O (1) and [H5PW11O39Co(C5H5N)]·(C5H5N)2·(C6H8N)2·1.5CH3OH (2) have been successfully synthesized under hydrothermal conditions. Structural analysis indicates that the polyoxoanion of compound 1 is a solvent molecule-bonded zinc-monosubstituted Keggin structural cluster, [PMo11O39Zn(C5H5N)](5-), while the polyoxoanion of compound 2 is a cobalt-monosubstituted phosphotungstate polyanion bonded with one pendant pyridine molecule. Both 1 and 2 show 3D supramolecular interpenetrating structures constructed of inorganic polyanion layers and organic layers. Very interestingly, compounds 1 and 2 exhibit excellent third-order NLO properties, and the TPA cross section σ of 1 and 2 is 2571.3 GM and 2876.3 GM, respectively.

  16. Synthesis, characterization and theoretical investigations of the structure, electronic properties and third-order nonlinearity optics (NLO) of M(DPIP)₂.

    PubMed

    Li, Kang; Tang, Guodong; Kou, ShanShan; Culnane, Lance F; Zhang, Yu; Song, Yinglin; Li, Rongqing; Wei, Changmei

    2015-03-15

    Three complexes of M(DPIP)2 (M=Cu, Co, Zn as 1, 2, 3) were synthesized and characterized by elemental analysis, IR, UV-Vis, thermogravimetry, and X-ray diffraction. Their nonlinear optical properties were measured by the Z-scan technique and yielded a normalized transmittance of about 70% for complex 1 (45 μJ pulse), and 93% for complex 3 (68 μJ pulse at the focus point). The nonlinear absorption coefficient, β, is 1.4×10(-11) m/W for 1 and 5.6×10(-13) m/W for 3, and the third-order nonlinear refraction index, n2, is 1.0×10(-18) m(2)/W for 3. Complex 1 shows self-defocusing property, while complex 3 exhibits self-focusing property. The thermogravimetric results show that the frame structure of compounds 1-3 begin to collapse at 400, 250 and 280°C, respectively, which suggests that they elicit excellent thermal stability. This research aims to provide better understanding of these compounds, and offer preliminary explanations for the significant differences between compounds 1-3, in order to potentially help in the designing of future novel materials with NLO properties.

  17. Mechanical buckling of a functionally graded cylindrical shell with axial and circumferential stiffeners using the third-order shear deformation theory

    NASA Astrophysics Data System (ADS)

    Farahani, Hossein; Azarafza, Reza; Barati, Farzan

    2014-09-01

    This paper deals with an analytical approach of the buckling behavior of a functionally graded circular cylindrical shell under axial pressure with external axial and circumferential stiffeners. The shell properties are assumed to vary continuously through the thickness direction. Fundamental relations and equilibrium and stability equations are derived using the third-order shear deformation theory. The resulting equations are employed to obtain the closed-form solution for the critical buckling loads. A simply supported boundary condition is considered for both edges of the shell. The comparison of the results of this study with those in the literature validates the present analysis. The effects of material composition (volume fraction exponent), of the number of stiffeners and of shell geometry parameters on the characteristics of the critical buckling load are described. The analytical results are compared and validated using the finite-element method. The results show that the inhomogeneity parameter, the geometry of the shell and the number of stiffeners considerably affect the critical buckling loads.

  18. Third order nonlinear optical studies of 1-(4-chloro phenyl)-3-(4-dimethylamino phenyl) prop-2-en-1-one

    NASA Astrophysics Data System (ADS)

    Janardhana, K.; Ravindrachary, V.; Rajesh Kumar, P. C.; Yogisha; Ismayil

    2013-04-01

    A chalcone, 1-(4-chloro phenyl)-3-(4-dimethylamino phenyl) prop-2-en-1-one, abbreviated as CDAC was synthesized by the Claisen-Schmidt condensation method and single crystals were grown by the slow evaporation technique at ambient temperature. The structural confirmation was done using 1H-NMR, FT-IR, powder XRD and single crystal XRD studies. The crystal crystallizes in the monoclinic space group P21/c with a=33.082(3) Å, b=14.4722(13) Å, c=6.0799(5) Å, α=90°, β=92.030(4)°, γ=90° and Z=8. The high temperature DSC shows a phase transition at temperature 141.53 °C that corresponds to the melting point of the crystal. This is confirmed in DTA study which shows an endothermic dip corresponding to this melting point. The optical studies were made with UV-visible and Z-scan techniques. The nonlinear absorption and nonlinear refraction coefficients of the sample were obtained by performing the Z-scan experimental measurements. The real and imaginary parts of third-order bulk susceptibility χ(3) were evaluated. The coefficient of nonlinear refraction (γ) of the compound is found to be negative as revealed by the signature of closed aperture data.

  19. Design, synthesis and excellent third-order NLO properties of two new polyoxometalates constructed from Keggin polyanions bonded by a solvent molecule.

    PubMed

    Miao, Hao; Dong, Yayu; Chen, Ziwang; He, Xingxiang; Hu, Gonghao; Xu, Yan

    2016-08-01

    Two new monosubstituted Keggin structural polyoxometalates [H5PMo11O39Zn(C5H5N)]·(C5H5N)5·H2O (1) and [H5PW11O39Co(C5H5N)]·(C5H5N)2·(C6H8N)2·1.5CH3OH (2) have been successfully synthesized under hydrothermal conditions. Structural analysis indicates that the polyoxoanion of compound 1 is a solvent molecule-bonded zinc-monosubstituted Keggin structural cluster, [PMo11O39Zn(C5H5N)](5-), while the polyoxoanion of compound 2 is a cobalt-monosubstituted phosphotungstate polyanion bonded with one pendant pyridine molecule. Both 1 and 2 show 3D supramolecular interpenetrating structures constructed of inorganic polyanion layers and organic layers. Very interestingly, compounds 1 and 2 exhibit excellent third-order NLO properties, and the TPA cross section σ of 1 and 2 is 2571.3 GM and 2876.3 GM, respectively. PMID:27453327

  20. Effect of Zn addition on non-resonant third-order optical nonlinearity of the Cu-doped germano-silicate optical glass fiber.

    PubMed

    Ju, Seongmin; Watekar, Pramod R; Jeong, Seongmook; Kim, Youngwoong; Han, Won-Taek

    2012-01-01

    Cu/Zn-codoped germano-silicate optical glass fiber was manufactured by using the modified chemical vapor deposition (MCVD) process and solution doping process. To investigate the reduction effect of Zn addition on Cu metal formation in the core of the Cu/Zn-codoped germano-silicate optical glass fiber, the optical absorption property and the non-resonant third-order optical nonlinearity were measured. Absorption peaks at 435 nm and 469 nm in the Cu/Zn-codoped germano-silicate optical glass fiber were contributed to Cu metal particles and ZnO semiconductor particles, respectively. The effective non-resonant optical nonlinearity, gamma, of the Cu/Zn-codoped germano-silicate optical glass fiber was measured to be 1.5097 W(-1) x km(-1) by using the continuous-wave self-phase modulation method. The gamma of the Cu/Zn-codoped germano-silicate optical glass fiber was about four times larger than that of the reference germano-silicate optical glass fiber without any dopants. The increase of the effective non-resonant optical nonlinearity, gamma, of the Cu/Zn-codoped germano-silicate optical glass fiber, can be attributed to the enhanced nonlinear polarization due to incorporated ZnO semiconductor particles and Cu metal ions in the glass network. The Cu/Zn-codoped germano-silicate optical glass fiber showed high nonlinearity and low transmission loss at the optical communication wavelength, which makes it suitable for high-speed-high-capacity optical communication systems.

  1. Study of Third-Order Optical Nonlinearities of Se-Sn (Bi,Te) Quaternary Chalcogenide Thin Films Using Ti: Sapphire Laser in Femtosecond Regime

    NASA Astrophysics Data System (ADS)

    Yadav, Preeti; Sharma, Ambika

    2016-09-01

    The objective of the present research work is to study the nonlinear optical properties of quaternary Se-Sn (Bi,Te) chalcogenide thin films. A Z-scan technique utilizing 800 nm femtosecond laser source has been used for the determination of the nonlinear refractive index (n 2), two-photon absorption coefficient (β 2) and third-order susceptibility (χ (3)). In the measurement of n 2, an aperture is placed in the far field before the detector (closed aperture), while for the measurement of β 2, entire transmitted light is collected by the detector without an aperture (open aperture). Self-focusing has been observed in closed aperture transmission spectra. The appearance of the peak after the valley in this spectrum reflects the positive nonlinear refractive index. The calculated value of n 2 of the studied thin films varies from 1.06 × 10-12 cm2/W to 0.88 × 10-12 cm2/W. The compound-dependent behavior of n 2 is explained in this paper. We have also compared the experimental values of n 2 with the theoretically determined values, other compounds of chalcogenide glass and pure silica. The n 2 of the investigated thin films is found to be 3200 times higher than pure silica. The results of the open aperture Z-scan revealed that the value of β 2 of the studied compound is in the order of 10-8 cm/W. The behavior of two-photon absorption is described by means of the optical band gap (E g) of the studied compound. The variation in the figure-of-merit from 0.32 to 1.4 with varying Sn content is also reported in this paper. The higher value of nonlinearity makes this material advantageous for optical fibers, waveguides and optical limiting devices.

  2. Evaluation of suitability of AMT single crystal for optical limiting applications by performing structural, dielectric, mechanical, optical and third order nonlinearity characterization studies

    NASA Astrophysics Data System (ADS)

    Elavarasu, N.; Sathya, P.; Pugazhendhi, S.; Vijayan, N.; Maurya, K. K.; Gopalakrishnan, R.

    2016-10-01

    Ammonium D,L-Tartrate (AMT) single crystal for optical and photonic device application was analyzed with different characterization studies. The AMT crystal was grown by low cost conventional solution growth technique. The unit cell parameters were obtained from single crystal XRD analysis and the crystal system is confirmed to be orthorhombic with noncentrosymmetric space group P212121. The crystalline perfection evaluated by high resolution X-ray diffractometry (HRXRD) enumerates the quality of the crystal is good. The optical transparency window of AMT crystal has 78% transmittance from 234 nm to 1100 nm region and has lower cut-off wavelength of 234 nm was analyzed by UV-visible spectral studies. The hardness number (Hv), yield strength (σy) and elastic stiffness constant (C11) were evaluated from the hardness data using Vickers hardness tester. Dielectric study indicates the moderate dielectric constant and low dielectric loss of AMT crystal which are required properties to develop optoelectronic devices. The laser damage threshold value of AMT is 0.238 GW/cm2 and photoconductivity study reveals the positive photoconductivity nature of the AMT crystal. The particle size dependent SHG studies were performed using Nd:YAG laser. The SHG efficiency of AMT is found to be 1.3 times greater than the standard KDP crystal. Third order nonlinear susceptibility χ(3) of AMT was assessed using an open aperture and closed aperture Z-scan technique and the value is 6.71×10-6 esu. AMT crystal is found to exhibit good optical power limiting. The present work indicates that AMT is a potential material for optoelectronic and nonlinear optical devices.

  3. Assessment on third order non linearity and other optical analyses of L-Asparagine Monohydrate single crystal: An efficient candidate for harmonic conversions.

    PubMed

    Thukral, Kanika; Vijayan, N; Haranath, D; Jayaramakrishnan, V; Philip, J; Sreekanth, P; Bhagavannaryana, G

    2015-12-01

    Single crystal of l-Asparagine Monohydrate, an organic material has been successfully grown by slow evaporation solution growth technique at ambient condition. The lattice parameters and its strain of the grown crystal have been evaluated from powder X-ray diffraction and found that it belongs to orthorhombic crystal system. The polarizability has been measured by using the Clausius-Mossotti relation. The crystalline perfection of grown single crystal has been examined by high resolution X-ray diffraction and its imperfection in the diffraction plane was clearly visible by recording topographical image of the plane. From the high resolution XRD, it confirms that the crystal contained high crystalline perfection. The optical behavior was analyzed by photoluminescence and birefringence methods. In the photoluminescence, a broad peak has been observed at 475 nm which suggest that it emits blue light. The decay tendency of the material has also been observed by calculating decay constant. The optical homogeneity has been determined by the dispersion pattern of the material. The two photon absorption coefficient was further calculated by Z-scan, which gives the information about the third order non linear optical behavior of the material. The value of two-photon absorption coefficient is 4.25 × 10(-12)m/W. The thermal parameters like thermal effusivity, thermal diffusivity, specific heat and thermal conductivity was obtained by using photopyroelectric technique. The ferroelectric behavior of the grown specimen was analyzed from PE (polarization VS electric field) loop. The loop suggests that the material was a nearly equivalent to ideal capacitor. PMID:26148830

  4. Third-order Douglas-Kroll Relativistic Coupled-Cluster Theory through Connected Single, Double, Triple, and Quadruple Substitutions: Applications to Diatomic and Triatomic Hydrides

    SciTech Connect

    Hirata, So; Yanai, Takeshi; De Jong, Wibe A.; Nakajima, Takahito; Hirao, Kimihiko

    2004-02-15

    Coupled-cluster methods including through and up to the connected single, double, triple, and quadruple substitutions (CCSD, CCSDT, and CCSDTQ) have been automatically derived and implemented for sequential and parallel executions for use in conjunction with a one-component third-order Douglas-Kroll (DK3) approximation for relativistic corrections. A combination of the converging electron-correlation methods, the accurate relativistic reference wave functions, and the use of systematic basis sets tailored to the relativistic approximation has been shown to predict the experimental singlet-triplet separations within 0.02 eV (0.5 kcal/mol) for five triatomic hydrides (CH2, NH2+, SiH2, PH2+, and AsH2+), the experimental bond lengths within 0.002 angstroms, rotational constants within 0.02 cm-1, vibration-rotation constants within 0.01 cm-1, centrifugal distortion constants within 2 %, harmonic vibration frequencies within 9 cm-1 (0.4 %), anharmonic vibrational constants within 2 cm-1, and dissociation energies within 0.03 eV (0.8 kcal/mol) for twenty diatomic hydrides (BH, CH, NH, OH, FH, AlH, SiH, PH, SH, ClH, GaH, GeH, AsH, SeH, BrH, InH, SnH, SbH, TeH, and IH) containing main-group elements across the second through fifth periods of the periodic table. In these calculations, spin-orbit effects on dissociation energies, which were assumed to be additive, were estimated from the measured spin-orbit coupling constants of atoms and diatomic molecules, and an electronic energy in the complete-basis-set, complete-electron-correlation limit has been extrapolated by the formula which was in turn based on the exponential-Gaussian extrapolation formula of the basis set dependence.

  5. A direct comparison between volume and surface tracking methods with a boundary-fitted coordinate transformation and third-order upwinding

    NASA Astrophysics Data System (ADS)

    Zacharioudaki, Maria; Kouris, Charalampos; Dimakopoulos, Yannis; Tsamopoulos, John

    2007-12-01

    A Volume Tracking (VT) and a Front Tracking (FT) algorithm are implemented and compared for locating the interface between two immiscible, incompressible, Newtonian fluids in a tube with a periodically varying, circular cross-section. Initially, the fluids are stationary and stratified in an axisymmetric arrangement so that one is around the axis of the tube (core fluid) and the other one surrounds it (annular fluid). A constant pressure gradient sets them in motion. With both VT and FT, a boundary-fitted coordinate transformation is applied and appropriate modifications are made to adopt either method in this geometry. The surface tension force is approximated using the continuous surface force method. All terms appearing in the continuity and momentum equations are approximated using centered finite differences in space and one-sided forward finite differences in time. In each time step, the incompressibility condition is enforced by a transformed Poisson equation, which is linear in pressure. This equation is solved by either direct LU decomposition or a Multigrid iterative solver. When the two fluids have the same density, the former method is about 3.5 times faster, but when they do not, the Multigrid solver is as much as 10 times faster than the LU decomposition. When the interface does not break and the Reynolds number remains small, the accuracy and rates of convergence of VT and FT are comparable. The well-known failure of centered finite differences arises as the Reynolds number increases and leads to non-physical oscillations in the interface and failure of both methods to converge with mesh refinement. These problems are resolved and computations with Reynolds as large as 500 converged by approximating the convective terms in the momentum equations by third-order upwind differences using Lagrangian Polynomials. When the volume of the core fluid or the Weber number decrease, increasing the importance of interfacial tension and leading to breakup of the

  6. Syntheses, Spectroscopic, Electrochemical, and Third-Order Nonlinear Optical Studies of a Hybrid Tris{ruthenium(alkynyl)/(2-phenylpyridine)}iridium Complex.

    PubMed

    Zhao, Huajian; Simpson, Peter V; Barlow, Adam; Moxey, Graeme J; Morshedi, Mahbod; Roy, Nivya; Philip, Reji; Zhang, Chi; Cifuentes, Marie P; Humphrey, Mark G

    2015-08-10

    The synthesis of fac-[Ir{N,C1′-(2,2′-NC5H4C6H3-5′-C≡C-1-C6H2-3,5-Et2-4-C≡CC6H4-4-C≡CH)}3] (10), which bears pendant ethynyl groups, and its reaction with [RuCl(dppe)2]PF6 to afford the heterobimetallic complex fac-[Ir{N,C1′-(2,2′-NC5H4C6H3-5′-C≡C-1-C6H2-3,5-Et2-4-C≡CC6H4-4-C≡C-trans-[RuCl(dppe)2])}3] (11) is described. Complex 10 is available from the two-step formation of iodo-functionalized fac-tris[2-(4-iodophenyl)pyridine]iridium(III) (6), followed by ligand-centered palladium-catalyzed coupling and desilylation reactions. Structural studies of tetrakis[2-(4-iodophenyl)pyridine-N,C1′](μ-dichloro)diiridium 5, 6, fac-[Ir{N,C1′-(2,2′-NC5H4C6H3-5′-C≡C-1-C6H2-3,5-Et2-4-C≡CH)}3] (8), and 10 confirm ligand-centered derivatization of the tris(2-phenylpyridine)iridium unit. Electrochemical studies reveal two (5) or one (6–10) Ir-centered oxidations for which the potential is sensitive to functionalization at the phenylpyridine groups but relatively insensitive to more remote derivatization. Compound 11 undergoes sequential Ru-centered and Ir-centered oxidation, with the potential of the latter significantly more positive than that of Ir(N,C′-NC5H4-2-C6H4-2)3. Ligand-centered π–π* transitions characteristic of the Ir(N,C′-NC5H4-2-C6H4-2)3 unit red-shift and gain in intensity following the iodo and alkynyl incorporation. Spectroelectrochemical studies of 6, 7, 9, and 11 reveal the appearance in each case of new low-energy LMCT bands following formal IrIII/IV oxidation preceded, in the case of 11, by the appearance of a low-energy LMCT band associated with the formal RuII/III oxidation process. Emission maxima of 6–10 reveal a red-shift upon alkynyl group introduction and arylalkynyl π-system lengthening; this process is quenched upon incorporation of the ligated ruthenium moiety on proceeding to 11. Third-order nonlinear optical studies of 11 were undertaken at the benchmark wavelengths of 800 nm (fs pulses) and 532

  7. Profiles of second- to third-order moments of turbulent temperature fluctuations in the convective boundary layer: first measurements with Rotational Raman Lidar

    NASA Astrophysics Data System (ADS)

    Behrendt, A.; Wulfmeyer, V.; Hammann, E.; Muppa, S. K.; Pal, S.

    2014-11-01

    -, third-, and forth-order moments, we found the largest values of all moments in the IL around the mean top of the CBL which was located at 1230 m a.g.l. The maximum of the variance profile in the IL was 0.40 K2 with 0.06 and 0.08 K2 for the sampling error and noise error, respectively. The third-order moment was not significantly different from zero inside the CBL but showed a negative peak in the IL with a minimum of -0.72 K3 and values of 0.06 and 0.14 K3 for the sampling and noise errors, respectively. The forth-order moment and kurtosis values throughout the CBL were quasi-normal.

  8. Four [Tp*W(μ3-S)3Cu3(μ3-Br)]-based clusters: synthesis, structural characterization and third-order NLO properties.

    PubMed

    Lü, Xue; Chen, Xi; Ren, Zhi-Gang; Lang, Jian-Ping; Liu, Dong; Sun, Zhen-Rong

    2011-08-21

    Treatment of [Et(4)N][Tp*W(μ(3)-S)(3)(CuBr)(3)] (Tp* = hydridotris(3,5-dimethylpyrazol-1-yl)borate) (1) with an excess of α-methylpyridine (α-MePy) and NH(4)PF(6) in CH(2)Cl(2) afforded a cationic cluster [Tp*W(μ(3)-S)(3)Cu(3)(α-MePy)(3)(μ(3)-Br)](PF(6)) (2) while the reaction of 1 with an excess of 1,4-pyrazine (1,4-pyz) and NH(4)PF(6) in MeCN-CH(2)Cl(2) at 65 °C produced a polymeric cluster [Tp*W(μ(3)-S)(3)Cu(3)(1,4-pyz)((1,4-pyz)(0.5))(2)(μ(3)-Br)][Tp*W(μ(3)-S)(3)(CuBr)(3)] (3). Reactions of 1 with melamine (MA) in 1:1 or 1:2 gave rise to another polymeric cluster [{Tp*W(μ(3)-S)(3)Cu(3)Br(μ(3)-Br)}(2)(MA)(2)] (4) and a neutral cluster [Tp*W(μ(3)-S)(3)Cu(3)Br(μ(3)-Br)(MA)(2)] (5), respectively. Compounds 2-5 were characterized by elemental analysis, IR spectra, UV-vis spectra, (1)H NMR, electrospray ionization (ESI) mass spectra and X-ray crystallography. The cation of 2 has a cubane-like [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)] structure with each α-MePy ligand coordinated at one Cu(i) center. For 3, each [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)] core is interconnected by 1,4-pyz bridges to form a 1D cationic zigzag chain with the [Tp*W(μ(3)-S)(3)(CuBr)(3)](-) anions arranged along its two sides. For 4, each [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)] core is interlinked by MA bridges to afford a 1D spiral chain. 5 adopts a cubane-like [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)] structure in which one terminal Br and two MA ligands are coordinated at three Cu centers. The third-order nonlinear optical (NLO) properties of 1-5 in DMF were investigated by femtosecond degenerate four-wave mixing (DFWM) technique with a 80 fs pulse width at 800 nm. Compounds 1-5 exhibit good NLO responses, and 3 and 4 possess the largest second-order hyperpolarizability γ values among the known W/Cu/S clusters bearing the [Tp*WS(3)] unit.

  9. Enhanced third-order nonlinear optical properties determined in thin films using the Z-scan technique: bis(μ-4,4'-oxydibenzoato)bis[(4'-phenyl-2,2':6',2''-terpyridine)cobalt(II)].

    PubMed

    Liu, Runqiang; Zhao, Ning; Liu, Ping; An, Caixia; Lian, Zhaoxun

    2016-05-01

    π-Conjugated organic materials exhibit high and tunable nonlinear optical (NLO) properties, and fast response times. 4'-Phenyl-2,2':6',2''-terpyridine (PTP) is an important N-heterocyclic ligand involving π-conjugated systems, however, studies concerning the third-order NLO properties of terpyridine transition metal complexes are limited. The title binuclear terpyridine Co(II) complex, bis(μ-4,4'-oxydibenzoato)-κ(3)O,O':O'';κ(3)O'':O,O'-bis[(4'-phenyl-2,2':6',2''-terpyridine-κ(3)N,N',N'')cobalt(II)], [Co2(C14H8O5)2(C21H15N3)2], (1), has been synthesized under hydrothermal conditions. In the crystal structure, each Co(II) cation is surrounded by three N atoms of a PTP ligand and three O atoms, two from a bidentate and one from a symmetry-related monodentate 4,4'-oxydibenzoate (ODA(2-)) ligand, completing a distorted octahedral coordination geometry. Neighbouring [Co(PTP)](2+) units are bridged by ODA(2-) ligands to form a ring-like structure. The third-order nonlinear optical (NLO) properties of (1) and PTP were determined in thin films using the Z-scan technique. The title compound shows a strong third-order NLO saturable absorption (SA), while PTP exhibits a third-order NLO reverse saturable absorption (RSA). The absorptive coefficient β of (1) is -37.3 × 10(-7) m W(-1), which is larger than that (8.96 × 10(-7) m W(-1)) of PTP. The third-order NLO susceptibility χ((3)) values are calculated as 6.01 × 10(-8) e.s.u. for (1) and 1.44 × 10(-8) e.s.u. for PTP. PMID:27146576

  10. The preparation of a new type of ferrocene-based compounds with large conjugated system containing symmetrical aromatic vinyl with Schiff base moieties and the study of their third-order nonlinear optical properties

    NASA Astrophysics Data System (ADS)

    Yu, Weiguo; Jia, Jianhong; Gao, Jianrong; Han, Liang; Li, Yujin

    2016-09-01

    Herein we reported the preparation of a new type of ferrocene-based compounds with large conjugated system containing symmetrical aromatic vinyl and Schiff base moieties and the study of their third-order nonlinear optical (NLO) properties. Their third-order NLO properties were measured using femtosecond laser and degenerate four-wave mixing (DFWM) technique. The obtained χ(3), n2 and γ values of these molecules were found in the range of 0.998-1.429 × 10-12 esu,1.847-2.646 × 10-11 esu and 1.026-1.449 × 10-30 esu, respectively. The response time ranged from 43.65 fs to 61.71 fs. The results indicate that these compounds have potential nonlinear optical applications.

  11. Electron-correlation effects on the static longitudinal polarizability of polymeric chains

    NASA Astrophysics Data System (ADS)

    Champagne, Benoît; Mosley, David H.; Vrac̆ko, Marjan; André, Jean-Marie

    1995-07-01

    Ab initio calculations of the static longitudinal polarizability of molecular hydrogen model chains have been performed at different levels of approximation to investigate the effects of including electron correlation. Unlike uncoupled and coupled Hartree-Fock calculations for which a split-valence atomic basis set already provides suitable longitudinal polarizability estimates, the techniques of the Mo/ller-Plesset partitioning leading to successive electron corrections, namely, MP2, MP3, and MP4, and the coupled-cluster ansatz including all double excitations, all single and double excitations, and all single and double excitations as well as a perturbational estimate of the connected triple excitations require at least additional polarization functions and a triple-ζ-type basis set in order to give suitable polarizability values. It has also been shown that including electron correlation decreases the longitudinal polarizability values and that the electron correlation effects are overemphasized when using a too small basis set. Within the Mo/ller-Plesset treatment of electron correlation, the relative importance of the different orders and the different classes of substitutions used in the intermediate states has been investigated. The double substitutions present the largest electron correlation correction to the coupled Hartree-Fock longitudinal polarizabilities per unit cell. If the atomic basis set is sufficiently extended, the third-order contribution is dominant.

  12. Polythiophene derivative functionalized with disperse red 1 chromophore: Its third-order nonlinear optical properties through Z-scan technique under continuous and femtosecond irradiation

    NASA Astrophysics Data System (ADS)

    de la Garza-Rubí, R. M. A.; Güizado-Rodríguez, M.; Mayorga-Cruz, D.; Basurto-Pensado, M. A.; Guerrero-Álvarez, J. A.; Ramos-Ortiz, G.; Rodríguez, M.; Maldonado, J. L.

    2015-08-01

    A copolymer of 3-hexylthiophene and thiophene functionalized with disperse red 1, poly(3-HT-co-TDR1), was synthesized. Chemical structure, molecular weight distribution, optical and thermal properties of this copolymer were characterized by NMR, FT-IR, UV-vis, GPC and DSC-TGA. An optical nonlinear analysis by Z-scan method was also performed for both continuous wave (CW) and pulsed laser pumping. In the CW regime the nonlinearities were evaluated in solid films, and a negative nonlinear refractive index in the range 2.7-4.1 × 10-4 cm2/W was obtained. These values are notoriously high and allowed to observe self-defocusing effects at very low laser intensities: below 1 mW. Further, nonlinear self-phase modulation patterns, during laser irradiation, were also observed. In the pulsed excitation the nonlinear response was evaluated in solution resulting in large two-photon absorption cross section of 5725 GM for the whole copolymer chain and with a value of 232 GM per repeated monomeric unit.

  13. Generation of sub-10-fs pulses from a Kerr-lens mode-locked Cr(3+):LiCAF laser oscillator by use of third-order dispersion-compensating double-chirped mirrors.

    PubMed

    Wagenblast, P C; Morgner, U; Grawert, F; Schibli, T R; Kãârtner, F X; Scheuer, V; Angelow, G; Lederer, M J

    2002-10-01

    Pulses as short as 9 fs at 220-mW average power and a 97-MHz repetition rate are generated from a cw Ti:sapphire-pumped Kerr-lens mode-locked Cr(3+)LiCAF laser oscillator employing broadband double-chirped mirrors for second- and third-order dispersion compensation. Fine adjustment of dispersion is accomplished with a fused-silica prism pair. The result demonstrates that Raman-induced self-frequency shifting of the pulse does not limit sub-10-fs pulse generation from colquiriite crystals.

  14. Multimodal imaging of living cells with multiplex coherent anti-stokes raman scattering (CARS), third-order sum frequency generation (TSFG) and two-photon excitation fluorescence (TPEF) using a nanosecond white-light laser source.

    PubMed

    Segawa, Hiroki; Okuno, Masanari; Leproux, Philippe; Couderc, Vincent; Ozawa, Takeaki; Kano, Hideaki

    2015-01-01

    The subnanosecond "white-light laser" source has been applied to multimodal, multiphoton, and multiplex spectroscopic imaging (M(3) spectroscopic imaging) with coherent anti-Stokes Raman scattering (CARS), third-order sum frequency generation (TSFG), and two-photon excitation fluorescence (TPEF). As the proof-of-principle experiment, we performed simultaneous imaging of polystyrene beads with TSFG and TPEF. This technique is then applied to live cell imaging. Mouse L929 fibroblastic cells are clearly visualized by CARS, TSFG, and TPEF processes. M(3) spectroscopic imaging provides various and unique cellular information with different image contrast based on each multiphoton process.

  15. Multimodal imaging of living cells with multiplex coherent anti-stokes raman scattering (CARS), third-order sum frequency generation (TSFG) and two-photon excitation fluorescence (TPEF) using a nanosecond white-light laser source.

    PubMed

    Segawa, Hiroki; Okuno, Masanari; Leproux, Philippe; Couderc, Vincent; Ozawa, Takeaki; Kano, Hideaki

    2015-01-01

    The subnanosecond "white-light laser" source has been applied to multimodal, multiphoton, and multiplex spectroscopic imaging (M(3) spectroscopic imaging) with coherent anti-Stokes Raman scattering (CARS), third-order sum frequency generation (TSFG), and two-photon excitation fluorescence (TPEF). As the proof-of-principle experiment, we performed simultaneous imaging of polystyrene beads with TSFG and TPEF. This technique is then applied to live cell imaging. Mouse L929 fibroblastic cells are clearly visualized by CARS, TSFG, and TPEF processes. M(3) spectroscopic imaging provides various and unique cellular information with different image contrast based on each multiphoton process. PMID:25864673

  16. Size Scaling of Static Friction

    NASA Astrophysics Data System (ADS)

    Braun, O. M.; Manini, Nicola; Tosatti, Erio

    2013-02-01

    Sliding friction across a thin soft lubricant film typically occurs by stick slip, the lubricant fully solidifying at stick, yielding and flowing at slip. The static friction force per unit area preceding slip is known from molecular dynamics (MD) simulations to decrease with increasing contact area. That makes the large-size fate of stick slip unclear and unknown; its possible vanishing is important as it would herald smooth sliding with a dramatic drop of kinetic friction at large size. Here we formulate a scaling law of the static friction force, which for a soft lubricant is predicted to decrease as fm+Δf/Aγ for increasing contact area A, with γ>0. Our main finding is that the value of fm, controlling the survival of stick slip at large size, can be evaluated by simulations of comparably small size. MD simulations of soft lubricant sliding are presented, which verify this theory.

  17. Multiway partial least-squares coupled to residual trilinearization: a genuine multidimensional tool for the study of third-order data. Simultaneous analysis of procaine and its metabolite p-aminobenzoic acid in equine serum.

    PubMed

    Damiani, Patricia C; Durán-Merás, Isabel; García-Reiriz, Alejandro; Jiménez-Girón, Ana; de la Peña, Arsenio Muñoz; Olivieri, Alejandro C

    2007-09-15

    A new third-order multivariate calibration approach, based on the combination of multiway-partial least-squares with a separate procedure called residual trilinearization (N-PLS/RTL), is presented and applied to multicomponent analysis using third-order data. The proposed chemometric algorithm is able to predict analyte concentrations in the presence of unexpected sample components, which require strict adherence to the second-order advantage. Results for the determination of procaine and its metabolite p-aminobenzoic acid in equine serum are discussed, based on kinetic fluorescence excitation-emission four-way measurements and application of the newly developed multiway methodology. Since the analytes are also the reagent and product of the hydrolysis reaction followed by fast-scanning fluorescence spectroscopy, the classical approach based on parallel factor analysis is challenged by strong linear dependencies and multilinearity losses. In comparison, N-PLS/RTL appears an appealing genuine multiway alternative that avoids the latter complications, yielding analytical results that are statistically comparable to those rendered by related unfolded algorithms, which are also able to process four-way data. Prediction was made on validation samples with a qualitative composition similar to the calibration set and also on test samples containing unexpected equine serum components.

  18. Structure-property relation and third order nonlinear optical absorption study of a new organic crystal: 1-(3,4-Dimethoxyphenyl)-3-(2-fluorophenyl) prop-2-en-1-one

    NASA Astrophysics Data System (ADS)

    Chidan Kumar, C. S.; Raghavendra, S.; Chia, Tze Shyang; Chandraju, Siddegowda; Dharmaprakash, S. M.; Fun, Hoong-Kun; Quah, Ching Kheng

    2015-11-01

    A new third order centrosymmetric organic crystal: 1-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl) prop-2-en-1-one (2FRDP) belonging to chalcone family has been synthesized and characterized by FTIR, CHNS and UV-Visible spectroscopy. Single crystal X-ray diffraction reveals that compound crystallizes in C2/c monoclinic space group. The X-ray powder diffraction of the crystal was carried out and hkl values are indexed for the diffraction pattern using mercury software. UV-Visible spectrum showed that 2FRDP is transparent in the entire visible region. The thermal stability of the grown 2FRDP crystal was analyzed by thermo gravimetric analysis (TGA) and differential scanning calorimetry (DSC). The dielectric study revealed that, 2FRDP possesses low dielectric constant and dielectric loss at high frequency. The third order nonlinear optical absorption and the optical limiting experiment were carried out using open aperture Z-scan data using an Nd:YAG laser operating at the wavelength 532 nm.

  19. Dispersion potential between three-bodies with arbitrary electric multipole polarizabilities: Molecular QED theory

    SciTech Connect

    Salam, A.

    2014-01-28

    Molecular quantum electrodynamics is used to obtain an expression for the retarded dispersion energy shift between three arbitrarily electrically polarizable atoms or molecules. A generalized Craig-Power Hamiltonian that depends quadratically on the electric displacement field is employed together with third-order diagrammatic perturbation theory. This approach simplifies the calculation relative to the use of the usual multipolar coupling Hamiltonian that is linear in the displacement field. Specific higher multipole non-additive contributions are then extracted. These include dipole-dipole-quadrupole, dipole-quadrupole-quadrupole, and dipole-dipole-octupole potentials valid for oriented and isotropic species with arbitrary separation distances between particles, extending recent work in which these energy shifts were given for equilateral triangle and collinear geometries. Near-zone limiting forms are found to agree with earlier works in which static inter-particle couplings were used.

  20. Magnetized static black Saturn

    SciTech Connect

    Yazadjiev, Stoytcho S.

    2008-06-15

    We present a new static solution to the 5D Einstein-Maxwell equations describing a static black hole surrounded by a nonrotating dipole black ring. The configuration is kept in equilibrium by an external magnetic field interacting with the dipole charge of the black ring. The properties of the black Saturn-like configuration are studied and the basic physical quantities are calculated. The solution demonstrates 2-fold continuous nonuniqueness of the 5D magnetized static neutral black objects for fixed total mass and Melvin background.

  1. Static conversion systems

    NASA Astrophysics Data System (ADS)

    Ewell, R.; Mondt, J.

    Historically, all space power systems that have actually flown in space have relied on static energy conversion technology. Thus, static conversion is being considered for space nuclear power systems as well. There are four potential static conversion technologies which should be considered. These include: the alkali metal thermoelectric converter (AMTEC), the thermionic converter, the thermoelectric converter, and the thermophotovoltaic converter (TPV). These four conversion technologies will be described in brief detail along with their current status and development needs. In addition, the systems implications of using each of these conversion technologies with a space nuclear reactor power system will be evaluated and some comparisons made.

  2. Rectifier cabinet static breaker

    SciTech Connect

    Costantino, R.A.; Gliebe, R.J.

    1990-01-01

    A rectifier cabinet static breaker replaces a blocking diode pair with an SCR and the installation of a power transistor in parallel with the latch contactor to commutate the SCR to the off state. The SCR serves as a static breaker with fast turnoff capability providing an alternative way of achieving reactor scram in addition to performing the function of the replaced blocking diodes. The control circuitry for the rectifier cabinet static breaker includes on-line test capability and an LED indicator light to denote successful test completion. Current limit circuitry provides high-speed protection in the event of overload.

  3. Rectifier cabinet static breaker

    DOEpatents

    Costantino, Jr, Roger A.; Gliebe, Ronald J.

    1992-09-01

    A rectifier cabinet static breaker replaces a blocking diode pair with an SCR and the installation of a power transistor in parallel with the latch contactor to commutate the SCR to the off state. The SCR serves as a static breaker with fast turnoff capability providing an alternative way of achieving reactor scram in addition to performing the function of the replaced blocking diodes. The control circuitry for the rectifier cabinet static breaker includes on-line test capability and an LED indicator light to denote successful test completion. Current limit circuitry provides high-speed protection in the event of overload.

  4. Inulin crystal initiation via a glucose-fructose cross-link of adjacent polymer chains: atomic force microscopy and static molecular modelling.

    PubMed

    Cooper, Peter D; Rajapaksha, K Harinda; Barclay, Thomas G; Ginic-Markovic, Milena; Gerson, Andrea R; Petrovsky, Nikolai

    2015-03-01

    Semi-crystalline microparticles of inulin (MPI) have clinical utility as potent human vaccine adjuvants but their relevant surface structure and crystal assembly remain undefined. We show inulin crystal surfaces to resemble multi-layered, discoid radial spherulites resulting from very rapid formation of complex tertiary structures, implying directed crystal initiation. Physical and in silico molecular modelling of unit cells confirm steric feasibility of initiation by hydrogen-bonded cross-linking of terminal glucose to a fructose of another chain, mimicking bonding in sucrose crystals. A strong, chelate-like dual H-bond is proposed to compel the known antiparallel alignment of inulin chains. Such cross-linking would require one extra fructose per chain in the native inulin crystal, as observed. Completion of five H-bonded internal ring-domains would 'lock in' each new 6-fructose structural unit of each antiparallel helix pair to create a new isoform. All known properties of inulin isoforms follow readily from these concepts.

  5. Inulin crystal initiation via a glucose-fructose cross-link of adjacent polymer chains: atomic force microscopy and static molecular modelling

    PubMed Central

    Cooper, Peter D.; Rajapaksha, K. Harinda; Barclay, Thomas G.; Ginic-Markovic, Milena; Gerson, Andrea R.; Petrovsky, Nikolai

    2014-01-01

    Semi-crystalline microparticles of inulin (MPI) have clinical utility as potent human vaccine adjuvants but their relevant surface structure and crystal assembly remain undefined. We show inulin crystal surfaces to resemble multi-layered, discoid radial spherulites resulting from very rapid formation of complex tertiary structures, implying directed crystal initiation. Physical and in silico molecular modelling of unit cells confirm steric feasibility of initiation by hydrogen-bonded cross-linking of terminal glucose to a fructose of another chain, mimicking bonding in sucrose crystals. A strong, chelate-like dual H-bond is proposed to compel the known antiparallel alignment of inulin chains. Such cross-linking would require one extra fructose per chain in the native inulin crystal, as observed. Completion of five H-bonded internal ring-domains would ‘lock in’ each new 6-fructose structural unit of each antiparallel helix pair to create a new isoform. All known properties of inulin isoforms follow readily from these concepts. PMID:25498723

  6. Inulin crystal initiation via a glucose-fructose cross-link of adjacent polymer chains: atomic force microscopy and static molecular modelling.

    PubMed

    Cooper, Peter D; Rajapaksha, K Harinda; Barclay, Thomas G; Ginic-Markovic, Milena; Gerson, Andrea R; Petrovsky, Nikolai

    2015-03-01

    Semi-crystalline microparticles of inulin (MPI) have clinical utility as potent human vaccine adjuvants but their relevant surface structure and crystal assembly remain undefined. We show inulin crystal surfaces to resemble multi-layered, discoid radial spherulites resulting from very rapid formation of complex tertiary structures, implying directed crystal initiation. Physical and in silico molecular modelling of unit cells confirm steric feasibility of initiation by hydrogen-bonded cross-linking of terminal glucose to a fructose of another chain, mimicking bonding in sucrose crystals. A strong, chelate-like dual H-bond is proposed to compel the known antiparallel alignment of inulin chains. Such cross-linking would require one extra fructose per chain in the native inulin crystal, as observed. Completion of five H-bonded internal ring-domains would 'lock in' each new 6-fructose structural unit of each antiparallel helix pair to create a new isoform. All known properties of inulin isoforms follow readily from these concepts. PMID:25498723

  7. Observing the Forces Involved in Static Friction under Static Situations

    ERIC Educational Resources Information Center

    Kaplan, Daniel

    2013-01-01

    Static friction is an important concept in introductory physics. Later in the year students apply their understanding of static friction under more complex conditions of static equilibrium. Traditional lab demonstrations in this case involve exceeding of the maximum level of static friction, resulting in the "onset of motion." (Contains…

  8. Approaching the complete basis set limit of CCSD(T) for large systems by the third-order incremental dual-basis set zero-buffer F12 method

    SciTech Connect

    Zhang, Jun Dolg, Michael

    2014-01-28

    The third-order incremental dual-basis set zero-buffer approach was combined with CCSD(T)-F12x (x = a, b) theory to develop a new approach, i.e., the inc3-db-B0-CCSD(T)-F12 method, which can be applied as a black-box procedure to efficiently obtain the near complete basis set (CBS) limit of the CCSD(T) energies also for large systems. We tested this method for several cases of different chemical nature: four complexes taken from the standard benchmark sets S66 and X40, the energy difference between isomers of water hexamer and the rotation barrier of biphenyl. The results show that our method has an error relative to the best estimation of CBS energy of only 0.2 kcal/mol or less. By parallelization, our method can accomplish the CCSD(T)-F12 calculations of about 60 correlated electrons and 800 basis functions in only several days, which by standard implementation are impossible for ordinary hardware. We conclude that the inc3-db-B0-CCSD(T)-F12a/AVTZ method, which is of CCSD(T)/AV5Z quality, is close to the limit of accuracy that one can achieve for large systems currently.

  9. Synthesis, crystal structure and third-order non-linear optical properties of a two-dimensional coordination network [Cd(AcO)2(L)2(H2O)

    NASA Astrophysics Data System (ADS)

    Zhang, Zhao-Xia; Pan, Wei-Cheng; Hong, Peng-Zhi; Li, Ke-Chang; Li, Yong

    2015-02-01

    A novel two-dimensional (2-D) Cd(II) coordination network [Cd(AcO)2(L)2(H2O)] 1 (AcO = acetate, L = 4-(1,2,4-triazol-1-yl) benzoic acid ethyl ester) has been synthesized by low-temperature solid-state reaction and characterized by single-crystal X-ray diffraction, elemental analyses, IR spectra and UV-visible spectra. The molecules of the complex are interconnected into layers by O-H⋯O and C-H⋯O hydrogen bonds in which participate AcO-, L and H2O ligands. The intermolecular hydrogen-bonds interactions are the most significant factors controlling the novel supramolecular sheet fashion packing of the title compound in the crystal state. The third-order non-linear optical (NLO) properties of the title compound 1 were also investigated and they exhibit the reverse saturable absorption and self-defocusing performance with modulus of the hyperpolarizability (γ) 2.30 × 10-30 esu for 1 in a 2.15 × 10-4 mol dm-3 DMF solution.

  10. Synthesis, growth, thermal and optical studies on third order nonlinear optical material (E)-2-{3-[2-(4-chlorophenyl) vinyl]-5,5-dimethylcyclo-hex-2-en-1-ylidene}malononitrile for optoelectronic application.

    PubMed

    Bharath, D; Kalainathan, S

    2014-01-01

    A new polyene like organic molecule (E)-2-{3-[2-(4-chlorophenyl) vinyl]-5,5-dimethylcyclo-hex-2-en-1-ylidene}malononitrile (Cl1) was synthesized by knoevenagel condensation method. The Cl1 Single crystals were successfully grown by the slow evaporation method at a constant temperature 35°C. Single crystal XRD confirms the Cl1 molecule belongs to monoclinic crystal system and space group P21/C with a=10.114, b=11.127, c=14.929 and V=1668.9 and Z=4. The grown Cl1 crystals were subjected to FTIR and 13C NMR studies to confirm the synthesized compound. The linear optical property of Cl1 crystal has been studied using UV-Vis-NIR spectroscopy in the wavelength range 190 nm-1100 nm. The thermal properties of Cl1 crystal were studied by using TG and DTA analysis. The refractive index of Cl1 crystal has measured using Abbe's refractometer and found to be 1.648. The third order nonlinear optical property of Cl1 crystal has been investigated using Z-scan technique with HeNe laser. Photoluminescence (PL) spectrum of Cl1 crystal was carried out using xenon lamp, which shows high intense emission peak at wavelength 614 nm. Laser optical damage threshold (LDT) of Cl1 crystal has studied using Nd-YAG laser (10 Hz, 420 mJ, 1064 nm). PMID:24177866

  11. Large femtosecond third-order optical nonlinearity of Bi{sub 3.15}Nd{sub 0.85}Ti{sub 3}O{sub 12} ferroelectric thin films

    SciTech Connect

    Li, S.; Zhong, X. L. E-mail: jbwang@xtu.edu.cn; Wang, J. B. E-mail: jbwang@xtu.edu.cn; Huang, J.; Song, H. J.; Tan, C. B.; Li, B.; Zhou, Y. C.; Cheng, G. H.; Liu, X.

    2014-11-10

    Both the linear and nonlinear optical properties of Bi{sub 3.15}Nd{sub 0.85}Ti{sub 3}O{sub 12} (BNT{sub 0.85}) ferroelectric thin films deposited on quartz substrates were investigated. The fundamental optical constants were determined as a function of light wavelength by optical transmittance measurements. By performing single-beam Z-scan experiments with femtosecond laser pulses at a wavelength of 800 nm, the two-photon absorption (TPA) coefficient β and third-order nonlinear refraction index γ were measured to be 1.15 × 10{sup 2 }cm/GW and −8.15 × 10{sup −3} cm{sup 2}/GW, respectively. The large TPA is attributed to an indirect transition process via the intermediate energy levels and the large refractive nonlinearity is the result of the electronic polarization and ferroelectric polarization arisen from the femtosecond midinfrared radiation. The results indicate that the BNT{sub 0.85} thin film is a promising candidate for applications in nonlinear photonic devices.

  12. Scalar relativistic calculations of hyperfine coupling constants using ab initio density matrix renormalization group method in combination with third-order Douglas-Kroll-Hess transformation: case studies on 4d transition metals.

    PubMed

    Nguyen Lan, Tran; Kurashige, Yuki; Yanai, Takeshi

    2015-01-13

    We have developed a new computational scheme for high-accuracy prediction of the isotropic hyperfine coupling constant (HFCC) of heavy molecules, accounting for the high-level electron correlation effects, as well as the scalar-relativistic effects. For electron correlation, we employed the ab initio density matrix renormalization group (DMRG) method in conjunction with a complete active space model. The orbital-optimization procedure was employed to obtain the optimized orbitals required for accurately determining the isotropic HFCC. For the scalar-relativistic effects, we initially derived and implemented the Douglas-Kroll-Hess (DKH) hyperfine coupling operators up to the third order (DKH3) by using the direct transformation scheme. A set of 4d transition-metal radicals consisting of Ag atom, PdH, and RhH2 were chosen as test cases. Good agreement between the isotropic HFCC values obtained from DMRG/DKH3 and experiment was archived. Because there are no available gas-phase values for PdH and RhH2 radicals in the literature, the results from the present high-level theory may serve as benchmark data.

  13. I.1. Statics.

    PubMed

    Verkerke, Gijsbertus J; Lee, T Clive

    2010-01-01

    The forces that act on an object determine its dynamic behaviour and defromation. Analysis of all forces and moments is essential. A free-body diagram summarizes all forces and moments that act on an object. To calculate the magnitude of the forces we can use the static equilibrium of forces and moments. PMID:20407182

  14. Why Static Clings

    ERIC Educational Resources Information Center

    Naab, Laurie; Henry, David

    2009-01-01

    Using Wiggins and McTighe's (1998) concept of Big Ideas, the authors planned and designed an electricity investigation to address common student misconceptions about static electricity. With Styrofoam plates and transparent tape, elementary students investigated many properties of electrically charged and uncharged objects in a 5E learning cycle…

  15. Static cylindrical matter shells

    NASA Astrophysics Data System (ADS)

    Arık, Metin; Delice, Özgür

    2005-08-01

    Static cylindrical shells composed of massive particles arising from matching of two different Levi-Civita space-times are studied for the shell satisfying either an isotropic or an anisotropic equation of state. We find that these solutions satisfy the energy conditions for certain ranges of the parameters.

  16. Axial static mixer

    DOEpatents

    Sandrock, H.E.

    1982-05-06

    Static axial mixing apparatus includes a plurality of channels, forming flow paths of different dimensions. The axial mixer includes a flow adjusting device for adjustable selective control of flow resistance of various flow paths in order to provide substantially identical flows through the various channels, thereby reducing nonuniform coating of interior surfaces of the channels. The flow adjusting device may include diaphragm valves, and may further include a pressure regulating system therefor.

  17. Static cylindrically symmetric spacetimes

    NASA Astrophysics Data System (ADS)

    Fjällborg, Mikael

    2007-05-01

    We prove the existence of static solutions to the cylindrically symmetric Einstein Vlasov system, and we show that the matter cylinder has finite extension in two of the three spatial dimensions. The same results are also proved for a quite general class of equations of state for perfect fluids coupled to the Einstein equations, extending the class of equations of state considered by Bicak et al (2004 Class. Quantum Grav.21 1583). We also obtain this result for the Vlasov Poisson system.

  18. PEBBLES Simulation of Static Friction and New Static Friction Benchmark

    SciTech Connect

    Joshua J. Cogliati; Abderrafi M. Ougouag

    2010-05-01

    Pebble bed reactors contain large numbers of spherical fuel elements arranged randomly. Determining the motion and location of these fuel elements is required for calculating certain parameters of pebble bed reactor operation. This paper documents the PEBBLES static friction model. This model uses a three dimensional differential static friction approximation extended from the two dimensional Cundall and Strack model. The derivation of determining the rotational transformation of pebble to pebble static friction force is provided. A new implementation for a differential rotation method for pebble to container static friction force has been created. Previous published methods are insufficient for pebble bed reactor geometries. A new analytical static friction benchmark is documented that can be used to verify key static friction simulation parameters. This benchmark is based on determining the exact pebble to pebble and pebble to container static friction coefficients required to maintain a stable five sphere pyramid.

  19. Cancer progression modeling using static sample data.

    PubMed

    Sun, Yijun; Yao, Jin; Nowak, Norma J; Goodison, Steve

    2014-01-01

    As molecular profiling data continues to accumulate, the design of integrative computational analyses that can provide insights into the dynamic aspects of cancer progression becomes feasible. Here, we present a novel computational method for the construction of cancer progression models based on the analysis of static tumor samples. We demonstrate the reliability of the method with simulated data, and describe the application to breast cancer data. Our findings support a linear, branching model for breast cancer progression. An interactive model facilitates the identification of key molecular events in the advance of disease to malignancy.

  20. Static Scale Conversion (SSC)

    2007-01-19

    The Static Scale Conversion (SSC) software is a unique enhancement to the AIMVEE system. It enables a SSC to weigh and measure vehicles and cargo dynamically (i.e., as they pass over the large scale. Included in the software is the AIMVEE computer code base. The SSC and AIMVEE computer system electronically continue to retrieve deployment information, identify vehicle automatically and determine total weight, individual axle weights, axle spacing and center-of-balance for any wheeled vehicle inmore » motion. The AIMVEE computer code system can also perform these functions statically for both wheel vehicles and cargo with information. The AIMVEE computer code system incorporates digital images and applies cubing algorithms to determine length, width, height for cubic dimensions of both vehicle and cargo. Once all this information is stored, it electronically links to data collection and dissemination systems to provide “actual” weight and measurement information for planning, deployment, and in-transit visibility.« less

  1. Static Scale Conversion (SSC)

    SciTech Connect

    2007-01-19

    The Static Scale Conversion (SSC) software is a unique enhancement to the AIMVEE system. It enables a SSC to weigh and measure vehicles and cargo dynamically (i.e., as they pass over the large scale. Included in the software is the AIMVEE computer code base. The SSC and AIMVEE computer system electronically continue to retrieve deployment information, identify vehicle automatically and determine total weight, individual axle weights, axle spacing and center-of-balance for any wheeled vehicle in motion. The AIMVEE computer code system can also perform these functions statically for both wheel vehicles and cargo with information. The AIMVEE computer code system incorporates digital images and applies cubing algorithms to determine length, width, height for cubic dimensions of both vehicle and cargo. Once all this information is stored, it electronically links to data collection and dissemination systems to provide “actual” weight and measurement information for planning, deployment, and in-transit visibility.

  2. Electron-correlation effects on the static longitudinal polarizability of polymeric chains. II. Bond-length-alternation effects

    NASA Astrophysics Data System (ADS)

    Champagne, Benoît; Mosley, David H.; Vračko, Marjan; André, Jean-Marie

    1995-08-01

    Ab initio calculations of the static longitudinal polarizability of different molecular hydrogen model chains have been carried out at different levels of approximation to investigate the effects of including electron correlation as well as the variation of these effects as a function of the bond-length alternation of the systems. First, the coupled and uncoupled Hartree-Fock schemes have been employed. To assess the electron-correlation effects, the size-consistent Mo/ller-Plesset treatments limited to second (MP2), third (MP3), and fourth (MP4) order in electron-electron interactions, as well as the coupled-cluster techniques including all double substitutions (CCD), all single and double substitutions (CCSD), and all single and double substitutions with a perturbational estimate of the connected triple excitations [CCSD(T)] have been used. Within the MP4 treatment, a decomposition of the electron-correlation corrections according to the different classes of substitutions and different order highlights the relatively greater importance of the double substitutions at second and third orders. The main findings are that (i) the coupled Hartree-Fock (CHF) technique overestimates the asymptotic static longitudinal polarizability per unit cell for the three types of H2 chains under investigation; (ii) larger basis sets have to be employed when including electron correlation effects, otherwise, the correction is overestimated; (iii) these basis-set effects on the electron-correlation correction are enhanced in the case of the less alternating chains; (iv) using a sufficiently large atomic basis set, at the Mo/ller-Plesset or CCSD(T) levels, the more conjugated the chains, the less the relative magnitude of the electron-correlation correction to the CHF value, whereas using the CCD and CCSD techniques, these relative electron-correlation corrections slightly increase in the case of the less alternating molecular hydrogen chains; and (v) the more conjugated the systems

  3. Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(I) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties.

    PubMed

    Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping

    2014-03-28

    Treatment of [Et4N][Tp*WS3] (Tp* = hydridotris(3,5-dimethylpyrazol-1-yl)borate) (1) with CuX (X = Br, SCN) and PPh3 or 1,1-bis(diphenylphosphino)methane (dppm) produced two neutral trinuclear clusters [Tp*W(μ3-S)(μ-S)2Cu2Br(PPh3)] (2) and [Tp*W(μ3-S)(μ-S)2Cu2(SCN)(dppm)]2·MeCN·Et2O (3·MeCN·Et2O). Reactions of 1 with [Cu(MeCN)4]PF6, NH4PF6 and 1,3-bis(diphenylphosphino)propane (dppp), N,N-bi(diphenylphosphanylmethyl)-2-aminopyridine (bdppmapy), N,N,N',N'-tetra(diphenylphosphanylmethyl)ethylenediamine (dppeda), or 1,4-N,N,N',N'-tetra(diphenylphosphanylmethyl)benzenediamine (dpppda) afforded four clusters containing butterfly-shaped [Tp*WS3Cu2] cores, [Tp*W(μ3-S)(μ-S)2Cu2(dpppds)](PF6)·1.25MeCN (dpppds = 1,3-bis(diphenylphosphino)propane disulfide) (4·1.25MeCN), [Tp*W(μ3-S)(μ-S)2Cu2(bdppmapy)](PF6)·3MeCN (5·3MeCN) and {[Tp*W(μ3-S)(μ-S)2Cu2]2(L)]}(PF6)2·Sol (6·Et2O: L = dppeda, Sol = Et2O; 7·1.25MeCN: L = dpppda, Sol = 1.25MeCN). Compounds 2-7 were characterized by elemental analysis, IR, UV-Vis, (1)H and (31)P{(1)H} NMR spectra, electrospray ion mass spectra (ESI-MS) and single-crystal X-ray diffraction. Compound 2 or 3 has a butterfly-shaped [Tp*WS3Cu2] core in which one [Tp*WS3] unit binds two Cu(I) centers via one μ3-S and two μ-S atoms. In the cationic structure of 4 or 5, one in situ-formed dpppds or bdppmapy combines with the [Tp*WS3Cu2] core via each of its two S atoms or two P atoms coordinated at each Cu(I) center. In the bicationic structure of 6 or 7, two [Tp*WS3Cu2] cores are linked by one dppeda or dpppda bridge to form a bicyclic structure. The isolation of 2-7 with unstable [Tp*WS3Cu2] cores may be ascribed to the coordination of P- or S-donor ligands at Cu(i) centers of these cores. The third-order nonlinear optical (NLO) properties of 2-7 in DMF were also investigated by using the femtosecond degenerate four-wave mixing (DFWM) technique at 800 nm.

  4. Static intervortex forces

    NASA Astrophysics Data System (ADS)

    Speight, J. M.

    1997-03-01

    A point particle approximation to the classical dynamics of well-separated vortices of the Abelian Higgs model is developed. A static vortex is asymptotically identical to a solution of the linearized field theory (a Klein-Gordon-Proca theory) in the presence of a singular point source at the vortex center. It is shown that this source is a composite scalar monopole and magnetic dipole, and the respective charges are determined numerically for various values of the coupling constant. The interaction potential of two well-separated vortices is computed by calculating the interaction Lagrangian of two such point sources in the linear theory. The potential is used to model type II vortex scattering.

  5. Static electricity: A literature review

    NASA Astrophysics Data System (ADS)

    Crow, Rita M.

    1991-11-01

    The major concern with static electricity is its discharging in a flammable atmosphere which can explode and cause a fire. Textile materials can have their electrical resistivity decreased by the addition of antistatic finishes, imbedding conductive particles into the fibres or by adding metal fibers to the yarns. The test methods used in the studies of static electricity include measuring the static properties of materials, of clothed persons, and of the ignition energy of flammable gases. Surveys have shown that there is sparse evidence for fires definitively being caused by static electricity. However, the 'worst-case' philosophy has been adopted and a static electricity safety code is described, including correct grounding procedures and the wearing of anti-static clothing and footwear.

  6. Semiconductor ac static power switch

    NASA Technical Reports Server (NTRS)

    Vrancik, J.

    1968-01-01

    Semiconductor ac static power switch has long life and high reliability, contains no moving parts, and operates satisfactorily in severe environments, including high vibration and shock conditions. Due to their resistance to shock and vibration, static switches are used where accidental switching caused by mechanical vibration or shock cannot be tolerated.

  7. Rigorous theory of molecular orientational nonlinear optics

    NASA Astrophysics Data System (ADS)

    Kwak, Chong Hoon; Kim, Gun Yeup

    2015-01-01

    Classical statistical mechanics of the molecular optics theory proposed by Buckingham [A. D. Buckingham and J. A. Pople, Proc. Phys. Soc. A 68, 905 (1955)] has been extended to describe the field induced molecular orientational polarization effects on nonlinear optics. In this paper, we present the generalized molecular orientational nonlinear optical processes (MONLO) through the calculation of the classical orientational averaging using the Boltzmann type time-averaged orientational interaction energy in the randomly oriented molecular system under the influence of applied electric fields. The focal points of the calculation are (1) the derivation of rigorous tensorial components of the effective molecular hyperpolarizabilities, (2) the molecular orientational polarizations and the electronic polarizations including the well-known third-order dc polarization, dc electric field induced Kerr effect (dc Kerr effect), optical Kerr effect (OKE), dc electric field induced second harmonic generation (EFISH), degenerate four wave mixing (DFWM) and third harmonic generation (THG). We also present some of the new predictive MONLO processes. For second-order MONLO, second-order optical rectification (SOR), Pockels effect and difference frequency generation (DFG) are described in terms of the anisotropic coefficients of first hyperpolarizability. And, for third-order MONLO, third-order optical rectification (TOR), dc electric field induced difference frequency generation (EFIDFG) and pump-probe transmission are presented.

  8. Rigorous theory of molecular orientational nonlinear optics

    SciTech Connect

    Kwak, Chong Hoon Kim, Gun Yeup

    2015-01-15

    Classical statistical mechanics of the molecular optics theory proposed by Buckingham [A. D. Buckingham and J. A. Pople, Proc. Phys. Soc. A 68, 905 (1955)] has been extended to describe the field induced molecular orientational polarization effects on nonlinear optics. In this paper, we present the generalized molecular orientational nonlinear optical processes (MONLO) through the calculation of the classical orientational averaging using the Boltzmann type time-averaged orientational interaction energy in the randomly oriented molecular system under the influence of applied electric fields. The focal points of the calculation are (1) the derivation of rigorous tensorial components of the effective molecular hyperpolarizabilities, (2) the molecular orientational polarizations and the electronic polarizations including the well-known third-order dc polarization, dc electric field induced Kerr effect (dc Kerr effect), optical Kerr effect (OKE), dc electric field induced second harmonic generation (EFISH), degenerate four wave mixing (DFWM) and third harmonic generation (THG). We also present some of the new predictive MONLO processes. For second-order MONLO, second-order optical rectification (SOR), Pockels effect and difference frequency generation (DFG) are described in terms of the anisotropic coefficients of first hyperpolarizability. And, for third-order MONLO, third-order optical rectification (TOR), dc electric field induced difference frequency generation (EFIDFG) and pump-probe transmission are presented.

  9. Influence of static and dynamic internal actions on elastic nonlinear properties of a granulated unconsolidated medium

    NASA Astrophysics Data System (ADS)

    Shirgina, N. V.; Korobov, A. I.; Kokshaiskii, A. I.

    2013-09-01

    We have studied the influence of external static (pressure) and dynamic (caused by an elastic wave with a finite amplitude) actions on the linear and nonlinear elastic properties of a granulated unconsolidated medium, which was simulated by steel spheres with diameters of 2 and 4 mm. We have analyzed the equation of state for such a medium taking into account the presence of weakly and strongly deformed contacts between individual spheres. We have obtained expressions for the elasticity coefficient and second- and third-order nonlinear elastic parameters, and we have experimentally studied the influence of external static pressure on their values. We have measured the dependence of the velocity of elastic waves on external static pressure and the probing signal amplitude. In the studied medium, a number of structural phase transitions were observed, related to rearrangement of the packing of spheres, which were caused by both static and dynamic actions. The structural phase transition was accompanied by an anomalous change in the nonlinear elastic parameters of the medium and the velocity of elastic waves. We have analyzed the results based on the Hertz theory of contact interaction.

  10. Static and Dynamic Traversable Wormholes

    NASA Astrophysics Data System (ADS)

    Adamiak, Jaroslaw P.

    2008-09-01

    The aim of this work is to discuss the effects found in static and dynamic wormholes that occur as a solution of Einstein equations in general relativity. The ground is prepared by presentation of faster than light effects, then the focus is narrowed to Morris-Thorne framework for a static spherically symmetric wormhole. Two types of dynamic worm-holes, evolving and rotating, are considered.

  11. Static scene statistical algorithm for nonuniformity correction in focal-plane arrays

    NASA Astrophysics Data System (ADS)

    Catarius, Adrian M.; Seal, Michael D.

    2015-10-01

    A static scene statistical nonuniformity correction (S3NUC) method was developed based on the higher-order moments of a linear statistical model of a photodetection process. S3NUC relieves the requirement for calibrated targets or a moving scene for NUC by utilizing two data sets of different intensities but requires low scene intensity levels. The first-, second-, and third-order moments of the two data sets are used to estimate the gain and bias values for the detectors in a focal-plane array (FPA). These gain and bias values may then be used to correct the nonuniformities between detectors or to initialize other continuous calibration methods. S3NUC was successfully applied to simulated data as well as measured data at visible wavelengths.

  12. Unstable circular null geodesics of static spherically symmetric black holes, Regge poles, and quasinormal frequencies

    SciTech Connect

    Decanini, Yves; Folacci, Antoine; Raffaelli, Bernard

    2010-05-15

    We consider a wide class of static spherically symmetric black holes of arbitrary dimension with a photon sphere (a hypersurface on which a massless particle can orbit the black hole on unstable circular null geodesics). This class includes various spacetimes of physical interest such as Schwarzschild, Schwarzschild-Tangherlini, and Reissner-Nordstroem black holes, the canonical acoustic black hole, or the Schwarzschild-de Sitter black hole. For this class of black holes, we provide general analytical expressions for the Regge poles of the S matrix associated with a massless scalar field theory. This is achieved by using third-order WKB approximations to solve the associated radial wave equation. These results permit us to obtain analytically the nonlinear dispersion relation and the damping of the 'surface waves' lying close to the photon sphere as well as, from Bohr-Sommerfeld-type resonance conditions, formulas beyond the leading-order terms for the complex frequencies corresponding to the weakly damped quasinormal modes.

  13. Static heterogeneities in liquid water

    NASA Astrophysics Data System (ADS)

    Stanley, H. Eugene; Buldyrev, Sergey V.; Giovambattista, Nicolas

    2004-10-01

    The thermodynamic behavior of water seems to be closely related to static heterogeneities. These static heterogeneities are related to the local structure of water molecules, and when properly characterized, may offer an economical explanation of thermodynamic data. The key feature of liquid water is not so much that the existence of hydrogen bonds, first pointed out by Linus Pauling, but rather the local geometry of the liquid molecules is not spherical or oblong but tetrahedral. In the consideration of static heterogeneities, this local geometry is critical. Recent experiments suggested more than one phase of amorphous solid water, while simulations suggest that one of these phases is metastable with respect to another, so that in fact there are only two stable phases.

  14. Static Fourier transform infrared spectrometer.

    PubMed

    Schardt, Michael; Murr, Patrik J; Rauscher, Markus S; Tremmel, Anton J; Wiesent, Benjamin R; Koch, Alexander W

    2016-04-01

    Fourier transform spectroscopy has established itself as the standard method for spectral analysis of infrared light. Here we present a robust and compact novel static Fourier transform spectrometer design without any moving parts. The design is well suited for measurements in the infrared as it works with extended light sources independent of their size. The design is experimentally evaluated in the mid-infrared wavelength region between 7.2 μm and 16 μm. Due to its large etendue, its low internal light loss, and its static design it enables high speed spectral analysis in the mid-infrared.

  15. Voltage Sensors Monitor Harmful Static

    NASA Technical Reports Server (NTRS)

    2009-01-01

    A tiny sensor, small enough to be worn on clothing, now monitors voltage changes near sensitive instruments after being created to alert Agency workers to dangerous static buildup near fuel operations and avionics. San Diego s Quasar Federal Systems received a Small Business Innovation Research (SBIR) contract from Kennedy Space Center to develop its remote voltage sensor (RVS), a dime-sized electrometer designed to measure triboelectric changes in the environment. One of the unique qualities of the RVS is that it can detect static at greater distances than previous devices, measuring voltage changes from a few centimeters to a few meters away, due to its much-improved sensitivity.

  16. Notes on static cylindrical shells

    NASA Astrophysics Data System (ADS)

    Bicák, J.; Zofka, M.

    2002-07-01

    Static cylindrical shells made of various types of matter are studied as sources of the vacuum Levi-Civita metrics. Their internal physical properties are related to the two essential parameters of the metrics outside. The total mass per unit length of the cylinders is always less than ¼. The results are illustrated by a number of figures.

  17. FORTRAN Static Source Code Analyzer

    NASA Technical Reports Server (NTRS)

    Merwarth, P.

    1982-01-01

    FORTRAN Static Source Code Analyzer program (SAP) automatically gathers and reports statistics on occurrences of statements and structures within FORTRAN program. Provisions are made for weighting each statistic, providing user with overall figure of complexity. Statistics, as well as figures of complexity, are gathered on module-by-module basis. Overall summed statistics are accumulated for complete input source file.

  18. FORTRAN Static Source Code Analyzer

    NASA Technical Reports Server (NTRS)

    Merwarth, P.

    1984-01-01

    FORTRAN Static Source Code Analyzer program, SAP (DEC VAX version), automatically gathers statistics on occurrences of statements and structures within FORTRAN program and provides reports of those statistics. Provisions made for weighting each statistic and provide an overall figure of complexity.

  19. Ablation and optical third-order nonlinearities in Ag nanoparticles

    PubMed Central

    Torres-Torres, Carlos; Peréa-López, Néstor; Reyes-Esqueda, Jorge Alejandro; Rodríguez-Fernández, Luis; Crespo-Sosa, Alejandro; Cheang-Wong, Juan Carlos; Oliver, Alicia

    2010-01-01

    The optical damage associated with high intensity laser excitation of silver nanoparticles (NPs) was studied. In order to investigate the mechanisms of optical nonlinearity of a nanocomposite and their relation with its ablation threshold, a high-purity silica sample implanted with Ag ions was exposed to different nanosecond and picosecond laser irradiations. The magnitude and sign of picosecond refractive and absorptive nonlinearities were measured near and far from the surface plasmon resonance (SPR) of the Ag NPs with a self-diffraction technique. Saturable optical absorption and electronic polarization related to self-focusing were identified. Linear absorption is the main process involved in nanosecond laser ablation, but non-linearities are important for ultrashort picosecond pulses when the absorptive process become significantly dependent on the irradiance. We estimated that near the resonance, picosecond intraband transitions allow an expanded distribution of energy among the NPs, in comparison to the energy distribution resulting in a case of far from resonance, when the most important absorption takes place in silica. We measured important differences in the ablation threshold and we estimated that the high selectiveness of the SPR of Ag NPs as well as their corresponding optical nonlinearities can be strongly significant for laser-induced controlled explosions, with potential applications for biomedical photothermal processes. PMID:21187944

  20. The Geometrical Optics PSF with Third Order Aberrations

    NASA Astrophysics Data System (ADS)

    Díaz-Uribe, Rufino; Campos-García, Manuel

    2008-04-01

    In this paper the calculation of the GPSF from the Geometrical Optics Irradiance Law (GOIL) is recalled, including some details not found in other references. Also it is explored an alternative solution based on the Irradiance Transport Equation (ITE). Some simulations of images of an extended object produced by an image forming instrument affected by spherical aberration are shown.

  1. Water cooled static pressure probe

    NASA Technical Reports Server (NTRS)

    Lagen, Nicholas T. (Inventor); Eves, John W. (Inventor); Reece, Garland D. (Inventor); Geissinger, Steve L. (Inventor)

    1991-01-01

    An improved static pressure probe containing a water cooling mechanism is disclosed. This probe has a hollow interior containing a central coolant tube and multiple individual pressure measurement tubes connected to holes placed on the exterior. Coolant from the central tube symmetrically immerses the interior of the probe, allowing it to sustain high temperature (in the region of 2500 F) supersonic jet flow indefinitely, while still recording accurate pressure data. The coolant exits the probe body by way of a reservoir attached to the aft of the probe. The pressure measurement tubes are joined to a single, larger manifold in the reservoir. This manifold is attached to a pressure transducer that records the average static pressure.

  2. Static Detection of Disassembly Errors

    SciTech Connect

    Krishnamoorthy, Nithya; Debray, Saumya; Fligg, Alan K

    2009-10-13

    Static disassembly is a crucial first step in reverse engineering executable files, and there is a consider- able body of work in reverse-engineering of binaries, as well as areas such as semantics-based security anal- ysis, that assumes that the input executable has been correctly disassembled. However, disassembly errors, e.g., arising from binary obfuscations, can render this assumption invalid. This work describes a machine- learning-based approach, using decision trees, for stat- ically identifying possible errors in a static disassem- bly; such potential errors may then be examined more closely, e.g., using dynamic analyses. Experimental re- sults using a variety of input executables indicate that our approach performs well, correctly identifying most disassembly errors with relatively few false positives.

  3. Static penetration resistance of soils

    NASA Technical Reports Server (NTRS)

    Durgunoglu, H. T.; Mitchell, J. K.

    1973-01-01

    Model test results were used to define the failure mechanism associated with the static penetration resistance of cohesionless and low-cohesion soils. Knowledge of this mechanism has permitted the development of a new analytical method for calculating the ultimate penetration resistance which explicitly accounts for penetrometer base apex angle and roughness, soil friction angle, and the ratio of penetration depth to base width. Curves relating the bearing capacity factors to the soil friction angle are presented for failure in general shear. Strength parameters and penetrometer interaction properties of a fine sand were determined and used as the basis for prediction of the penetration resistance encountered by wedge, cone, and flat-ended penetrometers of different surface roughness using the proposed analytical method. Because of the close agreement between predicted values and values measured in laboratory tests, it appears possible to deduce in-situ soil strength parameters and their variation with depth from the results of static penetration tests.

  4. Three Inexpensive Static-Electricity Demonstrations.

    ERIC Educational Resources Information Center

    Gore, Gordon R.; Gregg, William R.

    1992-01-01

    Describes demonstrations to (1) construct an inexpensive static electricity detector; (2) obtain an abundant supply of either negative or positive charge using household items; and (3) create static electricity using a Tesla coil or Van de Graaff generator. (MDH)

  5. Liquid methanol under a static electric field

    SciTech Connect

    Cassone, Giuseppe; Giaquinta, Paolo V.; Saija, Franz; Saitta, A. Marco

    2015-02-07

    We report on an ab initio molecular dynamics study of liquid methanol under the effect of a static electric field. We found that the hydrogen-bond structure of methanol is more robust and persistent for field intensities below the molecular dissociation threshold whose value (≈0.31 V/Å) turns out to be moderately larger than the corresponding estimate obtained for liquid water. A sustained ionic current, with ohmic current-voltage behavior, flows in this material for field intensities above 0.36 V/Å, as is also the case of water, but the resulting ionic conductivity (≈0.40 S cm{sup −1}) is at least one order of magnitude lower than that of water, a circumstance that evidences a lower efficiency of proton transfer processes. We surmise that this study may be relevant for the understanding of the properties and functioning of technological materials which exploit ionic conduction, such as direct-methanol fuel cells and Nafion membranes.

  6. Comparative Tests of Pitot-static Tubes

    NASA Technical Reports Server (NTRS)

    Merriam, Kenneth G; Spaulding, Ellis R

    1935-01-01

    Comparative tests were made on seven conventional Pitot-static tubes to determine their static, dynamic, and resultant errors. The effect of varying the dynamic opening, static opening, wall thickness, and inner-tube diameter was investigated. Pressure-distribution measurements showing stem and tip effects were also made. A tentative design for a standard Pitot-static tube for use in measuring air velocity is submitted.

  7. 30 CFR 18.26 - Static electricity.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Static electricity. 18.26 Section 18.26 Mineral... § 18.26 Static electricity. Nonmetallic rotating parts, such as belts and fans, shall be provided with a means to prevent an accumulation of static electricity....

  8. 30 CFR 18.26 - Static electricity.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Static electricity. 18.26 Section 18.26 Mineral... § 18.26 Static electricity. Nonmetallic rotating parts, such as belts and fans, shall be provided with a means to prevent an accumulation of static electricity....

  9. 30 CFR 18.26 - Static electricity.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Static electricity. 18.26 Section 18.26 Mineral... § 18.26 Static electricity. Nonmetallic rotating parts, such as belts and fans, shall be provided with a means to prevent an accumulation of static electricity....

  10. In-Flight Pitot-Static Calibration

    NASA Technical Reports Server (NTRS)

    Foster, John V. (Inventor); Cunningham, Kevin (Inventor)

    2016-01-01

    A GPS-based pitot-static calibration system uses global output-error optimization. High data rate measurements of static and total pressure, ambient air conditions, and GPS-based ground speed measurements are used to compute pitot-static pressure errors over a range of airspeed. System identification methods rapidly compute optimal pressure error models with defined confidence intervals.

  11. Static feed water electrolysis module

    NASA Technical Reports Server (NTRS)

    Powell, J. D.; Schubert, F. H.; Jensen, F. C.

    1974-01-01

    An advanced static feed water electrolysis module (SFWEM) and associated instrumentation for generating breathable O2 was developed. The system also generates a H2 byproduct for use in an air revitalization system for O2 recovery from metabolic CO2. Special attention was given to: (1) eliminating water feed compartment degassing, (2) eliminating need for zero gravity condenser/separators, (3) increasing current density capability, and (4) providing a self contained module so that operation is independent of laboratory instrumentation and complicated startup/shutdown procedures.

  12. Measurement of static pressure on aircraft

    NASA Technical Reports Server (NTRS)

    Gracey, William

    1958-01-01

    Existing data on the errors involved in the measurement of static pressure by means of static-pressure tubes and fuselage vents are presented. The errors associated with the various design features of static-pressure tubes are discussed for the condition of zero angle of attack and for the case where the tube is inclined to flow. Errors which result from variations in the configuration of static-pressure vents are also presented. Errors due to the position of a static-pressure tube in the flow field of the airplane are given for locations ahead of the fuselage nose, ahead of the wing tip, and ahead of the vertical tail fin. The errors of static-pressure vents on the fuselage of an airplane are also presented. Various methods of calibrating static-pressure installations in flight are briefly discussed.

  13. Assembly of bicyclic or monocyclic clusters from [(η5-C5Me5)2Mo2(μ3-S)4(CuMeCN)2]2+ with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances.

    PubMed

    Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong

    2011-09-01

    Reactions of the preformed cluster [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)(MeCN)(2)](ClO(4))(2) (1) with two tetraphosphine ligands, 1,4-N,N,N',N'-tetra(diphenylphosphanylmethyl)benzene diamine (dpppda) and N,N,N',N'-tetra(diphenylphosphanylmethyl)ethylene diamine (dppeda), produced two bicyclic clusters {[(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)](2)(L)}(ClO(4))(4) (3: L = dpppda; 4: L = dppeda). Analogous reactions of 1 or [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)(MeCN)(2)](PF(6))(2) (2) with two N,P mixed ligands, N,N-bi(diphenylphosphanylmethyl)-2-aminopyridine (bdppmapy) and N-diphenylphosphanylmethyl-4-aminopyridine (dppmapy), afforded two monocyclic clusters {[(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)](2)(L)(2)}X(4) (5: L = bdppmapy, X = ClO(4); 6: L = dppmapy, X = PF(6)). Compounds 3-6 were fully characterized by elemental analysis, IR spectra, UV-vis spectra, (1)H and (31)P{(1)H} NMR spectra, ESI-MS and single-crystal X-ray crystallography. In the tetracations of 3-6, two cubane-like [Mo(2)(μ(3)-S)(4)Cu(2)] cores are linked either by one dpppda or dppeda bridge to form a bicyclic structure or by a pair of bdppmapy or dppmapy bridges to afford a monocyclic structure. The third-order nonlinear optical (NLO) properties of 1 and 3-6 in MeCN were also investigated by femtosecond degenerate four-wave mixing (DFWM) technique with a 50 fs pulse width at 800 nm. Compounds 3-6 exhibited enhanced third-order NLO performances relative to that of 1.

  14. Static behaviour of induced seismicity

    NASA Astrophysics Data System (ADS)

    Mignan, Arnaud

    2016-04-01

    The standard paradigm to describe seismicity induced by fluid injection is to apply non-linear diffusion dynamics in a poroelastic medium. I show that the spatio-temporal behaviour and rate evolution of induced seismicity can, instead, be expressed by geometric operations on a static stress field produced by volume change at depth. I obtain laws similar in form to the ones derived from poroelasticity while requiring a lower description length. Although fluid flow is known to occur in the ground, it is not pertinent to the geometrical description of the spatio-temporal patterns of induced seismicity. The proposed model is equivalent to the static stress model for tectonic foreshocks generated by the Non-Critical Precursory Accelerating Seismicity Theory. This study hence verifies the explanatory power of this theory outside of its original scope and provides an alternative physical approach to poroelasticity for the modelling of induced seismicity. The applicability of the proposed geometrical approach is illustrated for the case of the 2006, Basel enhanced geothermal system stimulation experiment. Applicability to more problematic cases where the stress field may be spatially heterogeneous is also discussed.

  15. Static latching arrangement and method

    DOEpatents

    Morrison, Larry

    1988-01-01

    A latching assembly for use in latching a cable to and unlatching it from a given object in order to move an object from one location to another is disclosed herein. This assembly includes a weighted sphere mounted to one end of a cable so as to rotate about a specific diameter of the sphere. The assembly also includes a static latch adapted for connection with the object to be moved. This latch includes an internal latching cavity for containing the sphere in a latching condition and a series of surfaces and openings which cooperate with the sphere in order to move the sphere into and out of the latching cavity and thereby connect the cable to and disconnect it from the latch without using any moving parts on the latch itself.

  16. Static mixer improves desalting efficiency

    SciTech Connect

    Not Available

    1983-10-01

    An in-line static mixer has increased salt removal from crude oil at a large West Coast refinery, says the mixer supplier, Komax Systems Inc. The mixer was installed at a 150,000 b/d crude distillation unit's desalter. Crude at this refinery is a mixture of local production and imports from Indonesia and Alaska. In the past, the refiner used a typical globe-type mix valve to mix fresh water with crude at the desalters. The crude is heated to 300/sup 0/F., mixed with 5% fresh water, and then fed to the desalters. Chemical and electrostatic treatment is used in the desalters to remove salt and water from the crude.

  17. Ares I Static Tests Design

    NASA Technical Reports Server (NTRS)

    Carson, William; Lindemuth, Kathleen; Mich, John; White, K. Preston; Parker, Peter A.

    2009-01-01

    Probabilistic engineering design enhances safety and reduces costs by incorporating risk assessment directly into the design process. In this paper, we assess the format of the quantitative metrics for the vehicle which will replace the Space Shuttle, the Ares I rocket. Specifically, we address the metrics for in-flight measurement error in the vector position of the motor nozzle, dictated by limits on guidance, navigation, and control systems. Analyses include the propagation of error from measured to derived parameters, the time-series of dwell points for the duty cycle during static tests, and commanded versus achieved yaw angle during tests. Based on these analyses, we recommend a probabilistic template for specifying the maximum error in angular displacement and radial offset for the nozzle-position vector. Criteria for evaluating individual tests and risky decisions also are developed.

  18. Bonded joint strength - Static versus fatigue

    NASA Technical Reports Server (NTRS)

    Johnson, W. S.; Mall, S.

    1984-01-01

    Adhesives are commonly characterized only by their static strength even though they are used in structural joints that are subjected to fatigue loads. This paper reviews the relationship between static and fatigue strength for four different specimen types: single-lap-shear, edge-delamination, double cantilever beam, and cracked-lap-shear. It was found that the ratio of static strength to fatigue strength varied from 2.3 to 4.7, depending on the adhesive and specimen configuration.

  19. Static and dynamic properties of poly(3-hexylthiophene) films at liquid/vacuum interfaces.

    PubMed

    Yimer, Yeneneh Y; Tsige, Mesfin

    2012-11-28

    All-atom molecular dynamics simulations are used to study static and dynamic properties of poly(3-hexylthiophene) (P3HT) films at liquid/vacuum interfaces with regards to their dependence on both temperature and molecular weight. The static properties of the films are characterized by calculating specific volume, interfacial width, orientational ordering of the hexyl groups, and surface tension. The specific volume found to be a monotonically decreasing function of the molecular weight while its dependence on temperature follows the Simha-Somcynsky's equation of state. The orientational ordering calculations show the hexyl groups protruding from the vacuum side of the interface, where the degree of order at the interface is found to be strongly dependent on both temperature and molecular weight. The surface tension values show a linear dependence on temperature and the molecular weight dependence is equally described by both M(-2∕3) and M(-1) power law models. The dynamic properties are quantified by calculating diffusion coefficients for the chain centers-of-mass and thiophene ring segments as well as first-order and second-order end-to-end vector autocorrelations and chain backbone torsion autocorrelation. All calculated dynamic properties show strong dependence on both temperature and molecular weight. All the autocorrelations are well described by Kohlrausch-Williams-Watts equation. Our detailed analysis of the static and dynamic properties of P3HT films show that the calculated static and dynamic properties data can be fit with well-known polymer models.

  20. Seeing liquids from static snapshots.

    PubMed

    Paulun, Vivian C; Kawabe, Takahiro; Nishida, Shin'ya; Fleming, Roland W

    2015-10-01

    Perceiving material properties can be crucial for many tasks-such as determining food edibility, or avoiding getting splashed-yet the visual perception of materials remains poorly understood. Most previous research has focussed on optical characteristics (e.g., gloss, translucency). Here, however, we show that shape also provides powerful visual cues to material properties. When liquids pour, splash or ooze, they organize themselves into characteristic shapes, which are highly diagnostic of the material's properties. Subjects viewed snapshots of simulated liquids of different viscosities, and rated their similarity. Using maximum likelihood difference scaling (Maloney & Yang, 2003), we reconstructed perceptual scales for perceived viscosity as a function of the physical viscosity of the simulated fluids. The resulting psychometric function revealed a distinct sigmoidal shape, distinguishing runny liquids that flow easily from viscous gels that clump up into piles. A parameter-free model based on 20 simple shape statistics predicted the subjects' data surprisingly well. This suggests that when subjects are asked to compare the viscosity of static snapshots of liquids that differ only in terms of viscosity, they rely primarily on relatively simple measures of shape similarity. PMID:25676882

  1. Static Material Strength Determined Using a DAC

    SciTech Connect

    Cynn, H; Evans, W; Klepeis, J P; Lipp, M; Liermann, P; Yang, W

    2009-06-04

    By measuring sample thickness and pressure gradient using x-ray absorption and x-ray diffraction, respectively, the accurate static yield strengths of Ta and Fe were determined at high pressure. This improved method has several advantages over other similar methods to quantitatively determine static material strength.

  2. Comparing Techniques for Certified Static Analysis

    NASA Technical Reports Server (NTRS)

    Cachera, David; Pichardie, David

    2009-01-01

    A certified static analysis is an analysis whose semantic validity has been formally proved correct with a proof assistant. The recent increasing interest in using proof assistants for mechanizing programming language metatheory has given rise to several approaches for certification of static analysis. We propose a panorama of these techniques and compare their respective strengths and weaknesses.

  3. The Neglect of Monotone Comparative Statics Methods

    ERIC Educational Resources Information Center

    Tremblay, Carol Horton; Tremblay, Victor J.

    2010-01-01

    Monotone methods enable comparative static analysis without the restrictive assumptions of the implicit-function theorem. Ease of use and flexibility in solving comparative static and game-theory problems have made monotone methods popular in the economics literature and in graduate courses, but they are still absent from undergraduate…

  4. Observation of surface plasmon resonance of silver particles and enhanced third-order optical nonlinearities in AgCl doped Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3}-SiO{sub 2} ternary glasses

    SciTech Connect

    Xu, Tiefeng; Chen, Feifei; Shen, Xiang; Dai, Shixun; Nie, Qiuhua; Wang, Xunsi

    2010-10-15

    Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3}-SiO{sub 2} ternary glasses embedded with Ag nanoparticles were prepared by introducing AgCl into the bismuthate glasses using conventional melt quenching method and characterized by several experimental techniques. Scanning electron microscopic studies indicated the formation of Ag contained nanoclusters which crack and become regular with increase of AgCl content in these composites. Optical absorption spectra of the nanocomposites showed the presence of absorption band of surface plasmon resonance (SPR) due to Ag nanoparticles at {approx}600 nm. Z-scan measurement with femtosecond laser was used to investigate third-order optical nonlinearities of the nanocomposites. The results show that the nonlinear refraction {gamma} was dramatically increased up to 30 times by the appearance of Ag nanoparticles when excited within its SPR region, while nonlinear absorption due to two-photon absorption exhibited opposite tendency or even saturated behavior. The calculation of figure of merit suggests that the Ag particle embedded Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3}-SiO{sub 2} glass composites are promising candidates for optoelectronic devices.

  5. New findings in static high-pressure science

    SciTech Connect

    Hemley, R.J.; Mao, H.-k.

    2010-11-16

    Recent static high P-T experiments using diamond anvil cell techniques reveal an array of phenomena and provide new links to dynamic compression experiments. Selected recent developments are reviewed, including new findings in hot dense hydrogen, the creation of new metals and superconductors, new transitions in molecular and other low-Z systems, the behavior of iron and transition metals, chemical changes of importance in geoscience and planetary science, and the creation of new classes of high-pressure devices based on CVD diamond. These advances have set the stage for the next set of developments in this rapidly growing area.

  6. Statics of polymer droplets on deformable surfaces.

    PubMed

    Léonforte, F; Müller, M

    2011-12-01

    The equilibrium properties of polymer droplets on a soft deformable surface are investigated by molecular dynamics simulations of a bead-spring model. The surface consists of a polymer brush with irreversibly end-tethered linear homopolymer chains onto a flat solid substrate. We tune the softness of the surface by varying the grafting density. Droplets are comprised of bead-spring polymers of various chain lengths. First, both systems, brush and polymer liquid, are studied independently in order to determine their static and dynamic properties. In particular, using a numerical implementation of an AFM experiment, we measure the shear modulus of the brush surface and compare the results to theoretical predictions. Then, we study the wetting behavior of polymer droplets with different surface/drop compatibility and on substrates that differ in softness. Density profiles reveal, under certain conditions, the formation of a wetting ridge beneath the three-phase contact line. Cap-shaped droplets and cylindrical droplets are also compared to estimate the effect of the line tension with respect to the droplet size. Finally, the results of the simulations are compared to a phenomenological free-energy calculation that accounts for the surface tensions and the compliance of the soft substrate. Depending on the surface/drop compatibility, surface softness, and drop size, a transition between two regimes is observed: from one where the drop surface energy balances the adhesion with the surface, which is the classical Young-Dupré wetting regime, to another one where a coupling occurs between adhesion, droplet and surface elastic energies.

  7. Interpretational conflicts between the static and non-static forms of the de Sitter metric.

    PubMed

    Mitra, Abhas

    2012-01-01

    The de-Sitter metric is a special form of the non-static Friedmann metric, and appears to be genuinely non-static since it describes the initial exponential expansion of the Big Bang universe. However, the de Sitter metric appears to be perfectly static in the Schwarzschild frame where the vacuum fluid is supposed to be in motion. Here we highlight the conflicts between the static and non-static versions of the de-Sitter metric from a physical perspective. In particular, while the "Principle of Energy Conservation" is honored in one case, the same is badly violated for the other. However, we offer a partial resolution of such conflicts by deriving the static de Sitter metric by solving the relevant field equations. It is seen that, it is the very special vacuum equation of state pressure = -density which results in the static form even when the vacuum fluid is supposed to be in motion. PMID:23213359

  8. Aftershocks halted by static stress shadows

    NASA Astrophysics Data System (ADS)

    Toda, Shinji; Stein, Ross S.; Beroza, Gregory C.; Marsan, David

    2012-06-01

    Earthquakes impart static and dynamic stress changes to the surrounding crust. Sudden fault slip causes small but permanent--static--stress changes, and passing seismic waves cause large, but brief and oscillatory--dynamic--stress changes. Because both static and dynamic stresses can trigger earthquakes within several rupture dimensions of a mainshock, it has proven difficult to disentangle their contributions to the triggering process. However, only dynamic stress can trigger earthquakes far from the source, and only static stress can create stress shadows, where the stress and thus the seismicity rate in the shadow area drops following an earthquake. Here we calculate the stress imparted by the magnitude 6.1 Joshua Tree and nearby magnitude 7.3 Landers earthquakes that occurred in California in April and June 1992, respectively, and measure seismicity through time. We show that, where the aftershock zone of the first earthquake was subjected to a static stress increase from the second, the seismicity rate jumped. In contrast, where the aftershock zone of the first earthquake fell under the stress shadow of the second and static stress dropped, seismicity shut down. The arrest of seismicity implies that static stress is a requisite element of spatial clustering of large earthquakes and should be a constituent of hazard assessment.

  9. Martian Atmospheric Pressure Static Charge Elimination Tool

    NASA Technical Reports Server (NTRS)

    Johansen, Michael R.

    2014-01-01

    A Martian pressure static charge elimination tool is currently in development in the Electrostatics and Surface Physics Laboratory (ESPL) at NASA's Kennedy Space Center. In standard Earth atmosphere conditions, static charge can be neutralized from an insulating surface using air ionizers. These air ionizers generate ions through corona breakdown. The Martian atmosphere is 7 Torr of mostly carbon dioxide, which makes it inherently difficult to use similar methods as those used for standard atmosphere static elimination tools. An initial prototype has been developed to show feasibility of static charge elimination at low pressure, using corona discharge. A needle point and thin wire loop are used as the corona generating electrodes. A photo of the test apparatus is shown below. Positive and negative high voltage pulses are sent to the needle point. This creates positive and negative ions that can be used for static charge neutralization. In a preliminary test, a floating metal plate was charged to approximately 600 volts under Martian atmospheric conditions. The static elimination tool was enabled and the voltage on the metal plate dropped rapidly to -100 volts. This test data is displayed below. Optimization is necessary to improve the electrostatic balance of the static elimination tool.

  10. 14 CFR 23.1325 - Static pressure system.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... the correlation between air pressure in the static pressure system and true ambient atmospheric static... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Static pressure system. 23.1325 Section 23...: Installation § 23.1325 Static pressure system. (a) Each instrument provided with static pressure...

  11. Static conversion systems. [for space power reactors

    NASA Technical Reports Server (NTRS)

    Ewell, R.; Mondt, J.

    1985-01-01

    Historically, all space power systems that have actually flown in space have relied on static energy conversion technology. Thus, static conversion is being considered for space nuclear power systems as well. There are four potential static conversion technologies which should be considered. These include: the alkali metal thermoelectric converter (AMTEC), the thermionic converter, the thermoelectric converter, and the thermophotovoltaic converter (TPV). These four conversion technologies will be described in brief detail along with their current status and development needs. In addition, the systems implications of using each of these conversion technologies with a space nuclear reactor power system will be evaluated and some comparisons made.

  12. Enrichment desired quality chitosan fraction and advance yield by sequential static and static-dynamic supercritical CO2.

    PubMed

    Hsieh, Yi-Yin; Chin, Hui Yen; Tsai, Min-Lang

    2015-11-20

    This study aimed to establish the sequential static and static-dynamic supercritical carbon dioxide (SDCO2) fractionation conditions to obtain a higher yield and desired chitosan with lower polydispersity index (PDI) and higher degree of deacetylation (DD). The yield increased with increasing DD of used chitosan and amount of cosolvent. The yield of acetic acid cosolvent was higher than those of malic and citric acid cosolvents. SDCO2, compared to static supercritical carbon dioxide, has higher yield. The yield of extracted chitosan was 5.82-14.70% by SDCO2/acetic acid, which increases with increasing pressure. The DD of fractionated chitosan increased from 66.1% to 70.81-85.33%, while the PDI decreased from 3.97 to 1.69-3.16. The molecular weight changed from 622kDa to 412-649kDa, which increased as density of supercritical carbon dioxide increases. Hence, higher DD and lower PDI extracted chitosan can be obtained through controlling the temperature and pressure of SDCO2.

  13. Analytic three-loop static potential

    NASA Astrophysics Data System (ADS)

    Lee, Roman N.; Smirnov, Alexander V.; Smirnov, Vladimir A.; Steinhauser, Matthias

    2016-09-01

    We present analytic results for the three-loop static potential of two heavy quarks. The analytic calculation of the missing ingredients is outlined, and results for the singlet and octet potential are provided.

  14. 30 CFR 18.26 - Static electricity.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... MINING PRODUCTS ELECTRIC MOTOR-DRIVEN MINE EQUIPMENT AND ACCESSORIES Construction and Design Requirements § 18.26 Static electricity. Nonmetallic rotating parts, such as belts and fans, shall be provided...

  15. 30 CFR 18.26 - Static electricity.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... MINING PRODUCTS ELECTRIC MOTOR-DRIVEN MINE EQUIPMENT AND ACCESSORIES Construction and Design Requirements § 18.26 Static electricity. Nonmetallic rotating parts, such as belts and fans, shall be provided...

  16. Teaching Comparative Statics with Microsoft Excel.

    ERIC Educational Resources Information Center

    Barreto, Humberto

    2001-01-01

    Describes a Web site that makes use of the Comparative Statics Wizard add-in feature for Microsoft Excel. Enables students to focus on economic problems involving optimality, rate of change, and equilibrium solutions. (JEH)

  17. Vacuum static non-spherical GR equations

    NASA Astrophysics Data System (ADS)

    Karbanovski, V. V.; Beloushko, K. E.; Markov, V. N.; Kairov, T. V.; Melehina, O. V.

    2015-11-01

    The vacuum static non-spherical equations are considered. The new solutions, which not contain in class of the Schwarzschild-like metrics and also its generalization are obtain. The perspectives for further investigations are discussed.

  18. Reducing static charges in fluidized bed reactions

    NASA Technical Reports Server (NTRS)

    Wydeven, T.; Ballou, E. V.; Wood, P. C.; Spitze, L. A.

    1980-01-01

    Radio frequency glow discharge apparatus ionizes fluidizing gas, making it conductive enough to neutralize static charge on fluidized particles. Particles agglomerate less, and in one case reactant loading capacity was increased six fold.

  19. Static and dynamic properties of large polymer melts in equilibrium

    NASA Astrophysics Data System (ADS)

    Hsu, Hsiao-Ping; Kremer, Kurt

    2016-04-01

    We present a detailed study of the static and dynamic behaviors of long semiflexible polymer chains in a melt. Starting from previously obtained fully equilibrated high molecular weight polymer melts [G. Zhang et al., ACS Macro Lett. 3, 198 (2014)], we investigate their static and dynamic scaling behaviors as predicted by theory. We find that for semiflexible chains in a melt, results of the mean square internal distance, the probability distributions of the end-to-end distance, and the chain structure factor are well described by theoretical predictions for ideal chains. We examine the motion of monomers and chains by molecular dynamics simulations using the ESPResSo++ package. The scaling predictions of the mean squared displacement of inner monomers, center of mass, and relations between them based on the Rouse and the reptation theory are verified, and related characteristic relaxation times are determined. Finally, we give evidence that the entanglement length Ne,PPA as determined by a primitive path analysis (PPA) predicts a plateau modulus, GN 0 = /4 5 ( ρ k B T / N e ) , consistent with stresses obtained from the Green-Kubo relation. These comprehensively characterized equilibrium structures, which offer a good compromise between flexibility, small Ne, computational efficiency, and small deviations from ideality, provide ideal starting states for future non-equilibrium studies.

  20. Static solutions for fourth order gravity

    SciTech Connect

    Nelson, William

    2010-11-15

    The Lichnerowicz and Israel theorems are extended to higher order theories of gravity. In particular it is shown that Schwarzschild is the unique spherically symmetric, static, asymptotically flat, black-hole solution, provided the spatial curvature is less than the quantum gravity scale outside the horizon. It is then shown that in the presence of matter (satisfying certain positivity requirements), the only static and asymptotically flat solutions of general relativity that are also solutions of higher order gravity are the vacuum solutions.

  1. Acceleration of a Static Observer Near the Event Horizon of a Static Isolated Black Hole.

    ERIC Educational Resources Information Center

    Doughty, Noel A.

    1981-01-01

    Compares the magnitude of the proper acceleration of a static observer in a static, isolated, spherically symmetric space-time region with the Newtonian result including the situation in the interior of a perfect-fluid star. This provides a simple physical interpretation of surface gravity and illustrates the global nature of the event horizon.…

  2. A Model for Static and Dry Friction

    NASA Astrophysics Data System (ADS)

    Daly, Christopher

    2005-03-01

    It will be shown that the Muser-Robbins (MR) model, consisting of mobile molecules trapped between two incommensurate crystalline solids, exhibits many of the qualitative features of friction between macroscopic solids, such as the result that the static friction is greater than the kinetic friction, stick-slip motion and a force of static friction which increases as a function of the time that the two solids are in contact and stationary. At zero temperature, the kinetic friction is highly sensitive to the direction of sliding, but this sensitivity decreases markedly as the temperature rises. At low temperatures (with the surfaces stationary for a relatively long time), the model gives a static friction approximately 3 times larger than the kinetic friction for sufficiently slow velocities, but this ratio decreases steadily as the temperature is increased.

  3. Pheromone Static Routing Strategy for Complex Networks

    NASA Astrophysics Data System (ADS)

    Hu, Mao-Bin; Henry, Y. K. Lau; Ling, Xiang; Jiang, Rui

    2012-12-01

    We adopt the concept of using pheromones to generate a set of static paths that can reach the performance of global dynamic routing strategy [Phys. Rev. E 81 (2010) 016113]. The path generation method consists of two stages. In the first stage, a pheromone is dropped to the nodes by packets forwarded according to the global dynamic routing strategy. In the second stage, pheromone static paths are generated according to the pheromone density. The output paths can greatly improve traffic systems' overall capacity on different network structures, including scale-free networks, small-world networks and random graphs. Because the paths are static, the system needs much less computational resources than the global dynamic routing strategy.

  4. Thermal static bending of deployable interlocked booms

    NASA Technical Reports Server (NTRS)

    Staugaitis, C. L.; Predmore, R. E.

    1973-01-01

    Metal ribbons processed with a heat-forming treatment are enabled to form tubelike structures when deployed from a roll. Deployable booms of this have been utilized for gravity-gradient stabilization on the RAE, ATS, and Nimbus D satellites. An experimental thermal-mechanics test apparatus was developed to measure the thermal static bending and twist of booms up to 3 meters long. The apparatus was calibrated by using the correlation between calculated and observed thermal bending of a seamless tube. Thermal static bending values of 16 interlocked deployable booms were observed to be within a factor of 2.5 of the values calculated from seamless-tube theory. Out-of-Sun-plane thermal bending was caused by complex heat transfer across the interlocked seam. Significant thermal static twisting was not observed.

  5. 14 CFR 23.1325 - Static pressure system.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Static pressure system. 23.1325 Section 23...: Installation § 23.1325 Static pressure system. (a) Each instrument provided with static pressure case... except as noted in paragraph (b)(3) of this section. (b) If a static pressure system is necessary for...

  6. 14 CFR 23.1325 - Static pressure system.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Static pressure system. 23.1325 Section 23...: Installation § 23.1325 Static pressure system. (a) Each instrument provided with static pressure case... except as noted in paragraph (b)(3) of this section. (b) If a static pressure system is necessary for...

  7. 14 CFR 23.1325 - Static pressure system.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Static pressure system. 23.1325 Section 23...: Installation § 23.1325 Static pressure system. (a) Each instrument provided with static pressure case... except as noted in paragraph (b)(3) of this section. (b) If a static pressure system is necessary for...

  8. 14 CFR 23.1325 - Static pressure system.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Static pressure system. 23.1325 Section 23...: Installation § 23.1325 Static pressure system. (a) Each instrument provided with static pressure case... except as noted in paragraph (b)(3) of this section. (b) If a static pressure system is necessary for...

  9. 30 CFR 57.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Static electricity dissipation during loading... MINES Explosives Extraneous Electricity-Surface and Underground § 57.6602 Static electricity dissipation... generates a static electricity hazard— (a) An evaluation of the potential static electricity hazard shall...

  10. 30 CFR 57.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Static electricity dissipation during loading... MINES Explosives Extraneous Electricity-Surface and Underground § 57.6602 Static electricity dissipation... generates a static electricity hazard— (a) An evaluation of the potential static electricity hazard shall...

  11. 30 CFR 57.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Static electricity dissipation during loading... MINES Explosives Extraneous Electricity-Surface and Underground § 57.6602 Static electricity dissipation... generates a static electricity hazard— (a) An evaluation of the potential static electricity hazard shall...

  12. 30 CFR 57.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Static electricity dissipation during loading... MINES Explosives Extraneous Electricity-Surface and Underground § 57.6602 Static electricity dissipation... generates a static electricity hazard— (a) An evaluation of the potential static electricity hazard shall...

  13. 30 CFR 57.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Static electricity dissipation during loading... MINES Explosives Extraneous Electricity-Surface and Underground § 57.6602 Static electricity dissipation... generates a static electricity hazard— (a) An evaluation of the potential static electricity hazard shall...

  14. Earthquake triggering by transient and static deformations

    USGS Publications Warehouse

    Gomberg, J.; Beeler, N.M.; Blanpied, M.L.; Bodin, P.

    1998-01-01

    Observational evidence for both static and transient near-field and far-field triggered seismicity are explained in terms of a frictional instability model, based on a single degree of freedom spring-slider system and rate- and state-dependent frictional constitutive equations. In this study a triggered earthquake is one whose failure time has been advanced by ??t (clock advance) due to a stress perturbation. Triggering stress perturbations considered include square-wave transients and step functions, analogous to seismic waves and coseismic static stress changes, respectively. Perturbations are superimposed on a constant background stressing rate which represents the tectonic stressing rate. The normal stress is assumed to be constant. Approximate, closed-form solutions of the rate-and-state equations are derived for these triggering and background loads, building on the work of Dieterich [1992, 1994]. These solutions can be used to simulate the effects of static and transient stresses as a function of amplitude, onset time t0, and in the case of square waves, duration. The accuracies of the approximate closed-form solutions are also evaluated with respect to the full numerical solution and t0. The approximate solutions underpredict the full solutions, although the difference decreases as t0, approaches the end of the earthquake cycle. The relationship between ??t and t0 differs for transient and static loads: a static stress step imposed late in the cycle causes less clock advance than an equal step imposed earlier, whereas a later applied transient causes greater clock advance than an equal one imposed earlier. For equal ??t, transient amplitudes must be greater than static loads by factors of several tens to hundreds depending on t0. We show that the rate-and-state model requires that the total slip at failure is a constant, regardless of the loading history. Thus a static load applied early in the cycle, or a transient applied at any time, reduces the stress

  15. Can density cumulant functional theory describe static correlation effects?

    PubMed

    Mullinax, J Wayne; Sokolov, Alexander Yu; Schaefer, Henry F

    2015-06-01

    We evaluate the performance of density cumulant functional theory (DCT) for capturing static correlation effects. In particular, we examine systems with significant multideterminant character of the electronic wave function, such as the beryllium dimer, diatomic carbon, m-benzyne, 2,6-pyridyne, twisted ethylene, as well as the barrier for double-bond migration in cyclobutadiene. We compute molecular properties of these systems using the ODC-12 and DC-12 variants of DCT and compare these results to multireference configuration interaction and multireference coupled-cluster theories, as well as single-reference coupled-cluster theory with single, double (CCSD), and perturbative triple excitations [CCSD(T)]. For all systems the DCT methods show intermediate performance between that of CCSD and CCSD(T), with significant improvement over the former method. In particular, for the beryllium dimer, m-benzyne, and 2,6-pyridyne, the ODC-12 method along with CCSD(T) correctly predict the global minimum structures, while CCSD predictions fail qualitatively, underestimating the multireference effects. Our results suggest that the DC-12 and ODC-12 methods are capable of describing emerging static correlation effects but should be used cautiously when highly accurate results are required. Conveniently, the appearance of multireference effects in DCT can be diagnosed by analyzing the DCT natural orbital occupations, which are readily available at the end of the energy computation.

  16. Dynamic Myofibrillar Remodeling in Live Cardiomyocytes under Static Stretch

    PubMed Central

    Yang, Huaxiao; Schmidt, Lucas P.; Wang, Zhonghai; Yang, Xiaoqi; Shao, Yonghong; Borg, Thomas K.; Markwald, Roger; Runyan, Raymond; Gao, Bruce Z.

    2016-01-01

    An increase in mechanical load in the heart causes cardiac hypertrophy, either physiologically (heart development, exercise and pregnancy) or pathologically (high blood pressure and heart-valve regurgitation). Understanding cardiac hypertrophy is critical to comprehending the mechanisms of heart development and treatment of heart disease. However, the major molecular event that occurs during physiological or pathological hypertrophy is the dynamic process of sarcomeric addition, and it has not been observed. In this study, a custom-built second harmonic generation (SHG) confocal microscope was used to study dynamic sarcomeric addition in single neonatal CMs in a 3D culture system under acute, uniaxial, static, sustained stretch. Here we report, for the first time, live-cell observations of various modes of dynamic sarcomeric addition (and how these real-time images compare to static images from hypertrophic hearts reported in the literature): 1) Insertion in the mid-region or addition at the end of a myofibril; 2) Sequential addition with an existing myofibril as a template; and 3) Longitudinal splitting of an existing myofibril. The 3D cell culture system developed on a deformable substrate affixed to a stretcher and the SHG live-cell imaging technique are unique tools for real-time analysis of cultured models of hypertrophy. PMID:26861590

  17. Dynamic Myofibrillar Remodeling in Live Cardiomyocytes under Static Stretch.

    PubMed

    Yang, Huaxiao; Schmidt, Lucas P; Wang, Zhonghai; Yang, Xiaoqi; Shao, Yonghong; Borg, Thomas K; Markwald, Roger; Runyan, Raymond; Gao, Bruce Z

    2016-01-01

    An increase in mechanical load in the heart causes cardiac hypertrophy, either physiologically (heart development, exercise and pregnancy) or pathologically (high blood pressure and heart-valve regurgitation). Understanding cardiac hypertrophy is critical to comprehending the mechanisms of heart development and treatment of heart disease. However, the major molecular event that occurs during physiological or pathological hypertrophy is the dynamic process of sarcomeric addition, and it has not been observed. In this study, a custom-built second harmonic generation (SHG) confocal microscope was used to study dynamic sarcomeric addition in single neonatal CMs in a 3D culture system under acute, uniaxial, static, sustained stretch. Here we report, for the first time, live-cell observations of various modes of dynamic sarcomeric addition (and how these real-time images compare to static images from hypertrophic hearts reported in the literature): 1) Insertion in the mid-region or addition at the end of a myofibril; 2) Sequential addition with an existing myofibril as a template; and 3) Longitudinal splitting of an existing myofibril. The 3D cell culture system developed on a deformable substrate affixed to a stretcher and the SHG live-cell imaging technique are unique tools for real-time analysis of cultured models of hypertrophy. PMID:26861590

  18. Can density cumulant functional theory describe static correlation effects?

    PubMed

    Mullinax, J Wayne; Sokolov, Alexander Yu; Schaefer, Henry F

    2015-06-01

    We evaluate the performance of density cumulant functional theory (DCT) for capturing static correlation effects. In particular, we examine systems with significant multideterminant character of the electronic wave function, such as the beryllium dimer, diatomic carbon, m-benzyne, 2,6-pyridyne, twisted ethylene, as well as the barrier for double-bond migration in cyclobutadiene. We compute molecular properties of these systems using the ODC-12 and DC-12 variants of DCT and compare these results to multireference configuration interaction and multireference coupled-cluster theories, as well as single-reference coupled-cluster theory with single, double (CCSD), and perturbative triple excitations [CCSD(T)]. For all systems the DCT methods show intermediate performance between that of CCSD and CCSD(T), with significant improvement over the former method. In particular, for the beryllium dimer, m-benzyne, and 2,6-pyridyne, the ODC-12 method along with CCSD(T) correctly predict the global minimum structures, while CCSD predictions fail qualitatively, underestimating the multireference effects. Our results suggest that the DC-12 and ODC-12 methods are capable of describing emerging static correlation effects but should be used cautiously when highly accurate results are required. Conveniently, the appearance of multireference effects in DCT can be diagnosed by analyzing the DCT natural orbital occupations, which are readily available at the end of the energy computation. PMID:26575548

  19. Interpretational conflicts between the static and non-static forms of the de Sitter metric

    PubMed Central

    Mitra, Abhas

    2012-01-01

    The de-Sitter metric is a special form of the non-static Friedmann metric, and appears to be genuinely non-static since it describes the initial exponential expansion of the Big Bang universe. However, the de Sitter metric appears to be perfectly static in the Schwarzschild frame where the vacuum fluid is supposed to be in motion. Here we highlight the conflicts between the static and non-static versions of the de-Sitter metric from a physical perspective. In particular, while the “Principle of Energy Conservation” is honored in one case, the same is badly violated for the other. However, we offer a partial resolution of such conflicts by deriving the static de Sitter metric by solving the relevant field equations. It is seen that, it is the very special vacuum equation of state pressure = –density which results in the static form even when the vacuum fluid is supposed to be in motion. PMID:23213359

  20. Effects of insoles contact on static balance.

    PubMed

    Shin, Ju Yong; Ryu, Young Uk; Yi, Chae Woo

    2016-04-01

    [Purpose] This study examined the effect of the degree of the contact area between the insoles and soles on static balance. [Subjects and Methods] Thirteen healthy male and female adults voluntarily participated. All of the subjects wore three different types of insoles (no orthotic insole, partial contact, full contact) in the present experiment. The subjects were instructed to place both feet parallel to each other and maintain static balance for 30 seconds. Center of pressure parameters (range, total distance, and mean velocity) were analyzed. [Results] The results show that the anteroposterior range and mediolateral (ML) total distance and velocity decreased when orthotic insoles with partial contact or full contact were used in comparison to when a flat insole (no orthotic insole) was used. Also, the ML range and total distance were lower with full contact than in the other two conditions. These results indicate that static balance improves as the degree of contact between the soles and insoles increases. [Conclusion] The results of this study suggests that using insoles with increased sole contact area would improve static balance ability.

  1. Effects of insoles contact on static balance

    PubMed Central

    Shin, Ju Yong; Ryu, Young Uk; Yi, Chae Woo

    2016-01-01

    [Purpose] This study examined the effect of the degree of the contact area between the insoles and soles on static balance. [Subjects and Methods] Thirteen healthy male and female adults voluntarily participated. All of the subjects wore three different types of insoles (no orthotic insole, partial contact, full contact) in the present experiment. The subjects were instructed to place both feet parallel to each other and maintain static balance for 30 seconds. Center of pressure parameters (range, total distance, and mean velocity) were analyzed. [Results] The results show that the anteroposterior range and mediolateral (ML) total distance and velocity decreased when orthotic insoles with partial contact or full contact were used in comparison to when a flat insole (no orthotic insole) was used. Also, the ML range and total distance were lower with full contact than in the other two conditions. These results indicate that static balance improves as the degree of contact between the soles and insoles increases. [Conclusion] The results of this study suggests that using insoles with increased sole contact area would improve static balance ability. PMID:27190460

  2. Hard thermal loops in static external fields

    SciTech Connect

    Frenkel, J.; Takahashi, N.; Pereira, S. H.

    2009-04-15

    We examine, in the imaginary-time formalism, the high temperature behavior of n-point thermal loops in static Yang-Mills and gravitational fields. We show that in this regime, any hard thermal loop gives the same leading contribution as the one obtained by evaluating the loop integral at zero external energies and momenta.

  3. Static & Dynamic Response of 3D Solids

    1996-07-15

    NIKE3D is a large deformations 3D finite element code used to obtain the resulting displacements and stresses from multi-body static and dynamic structural thermo-mechanics problems with sliding interfaces. Many nonlinear and temperature dependent constitutive models are available.

  4. A study of static stability of airships

    NASA Technical Reports Server (NTRS)

    Rizzo, Frank

    1924-01-01

    The first section deals with the theoretical side of statical stability of airships in general. The second section deals with preliminary tests of the model and experiments for the determination of effects due to change of tail area, aspect ratio, tail form, and tail thickness.

  5. Onthe static and spherically symmetric gravitational field

    NASA Astrophysics Data System (ADS)

    Gottlieb, Ioan; Maftei, Gheorghe; Mociutchi, Cleopatra

    Starting from a generalization of Einstein 's theory of gravitation, proposed by one of the authors (Cleopatra Mociutchi), the authors study a particular spherical symmetric case. Among other one obtain the compatibility conditions for the existence of the static and spherically symmetruic gravitational filed in the case of extended Einstein equation.

  6. Static Abstractions and the Teaching of Writing.

    ERIC Educational Resources Information Center

    Connors, Robert J.

    The element of static abstractions (SAs)--any pseudoheuristic listing of derived nominals whose purpose is to define good structure in prose writing--is one of the important historical components of the current traditional rhetoric inherited from the nineteenth century. SAs, of which unity, coherence, and emphasis are the best known examples, have…

  7. Static and evolutionary quantum public goods games

    NASA Astrophysics Data System (ADS)

    Liao, Zeyang; Qin, Gan; Hu, Lingzhi; Li, Songjian; Xu, Nanyang; Du, Jiangfeng

    2008-05-01

    We apply the continuous-variable quantization scheme to quantize public goods game and find that new pure strategy Nash equilibria emerge in the static case. Furthermore, in the evolutionary public goods game, entanglement can also contribute to the persistence of cooperation under various population structures without altruism, voluntary participation, and punishment.

  8. Matching a static cylindrically symmetric elastic spacetime

    NASA Astrophysics Data System (ADS)

    Brito, I.; Carot, J.; Mena, F. C.; Vaz, E. G. L. R.

    2012-07-01

    We consider a static cylindrically symmetric spacetime with elastic matter and study the matching problem of this spacetime with a suitable exterior. For the exterior, we take the Levi-Civita spacetime and its generalization including a cosmological constant, the Linet-Tian spacetime. We show that the matching is only possible with the Linet-Tian solution.

  9. INTRODUCTION AND STATIC ELECTRICITY, VOLUME 1.

    ERIC Educational Resources Information Center

    KLAUS, DAVID J.; AND OTHERS

    THIS VOLUME, PART OF A TWO-VOLUME SET, PROVIDES AUTOINSTRUCTION IN PHYSICS. THE MATERIAL COVERS UNITS ON (1) STATIC ELECTRICITY AND ELECTRICAL CHARGES, (2) COULOMB'S LAW, (3) DISTRIBUTION OF CHARGE AND FLOW OF CURRENT, (4) DIFFERENCE OF POTENTIAL, (5) BATTERIES AND CIRCUITS, (6) RESISTANCE AND RESISTORS, (7) POTENTIAL DIVIDER AND WHEATSTONE…

  10. Static black hole uniqueness and Penrose inequality

    SciTech Connect

    Mizuno, Ryosuke; Shiromizu, Tetsuya; Ohashi, Seiju

    2010-02-15

    Under certain conditions, we offer a new way to prove the uniqueness of the static black hole in higher dimensional asymptotically flat spacetimes. In the proof, the Penrose inequality plays a key role in higher dimensions as well as four dimensions.

  11. A Progression of Static Equilibrium Laboratory Exercises

    ERIC Educational Resources Information Center

    Kutzner, Mickey; Kutzner, Andrew

    2013-01-01

    Although simple architectural structures like bridges, catwalks, cantilevers, and Stonehenge have been integral in human societies for millennia, as have levers and other simple tools, modern students of introductory physics continue to grapple with Newton's conditions for static equilibrium. As formulated in typical introductory physics…

  12. A note on static dyonic diholes

    NASA Astrophysics Data System (ADS)

    García-Compeán, H.; Manko, V. S.

    2015-09-01

    In this brief note we argue that a dyonic generalization of the Emparan-Teo dihole solution is described by a static diagonal metric and therefore, contrary to the claim made in a recent paper by Cabrera-Munguia et al., does not involve any "non-vanishing global angular momentum" and rotating charges.

  13. Coagulation of grains in static and collapsing protostellar clouds

    NASA Technical Reports Server (NTRS)

    Weidenschilling, S. J.; Ruzmaikina, T. V.

    1993-01-01

    The wavelength dependence of extinction in the diffuse interstellar medium implies that it is produced by particles of dominant size of approximately 10(exp -5) cm. There is some indication that in the cores of dense molecular clouds, sub-micron grains can coagulate to form larger particles; this process is probably driven by turbulence. The most primitive meteorites (carbonaceous chondrites) are composed of particles with a bimodal size distribution with peaks near 1 micron (matrix) and 1 mm (chondrules). Models for chondrule formation that involve processing of presolar material by chemical reactions or through an accretion shock during infall assume that aggregates of the requisite mass could form before or during collapse. The effectiveness of coagulation during collapse has been disputed; it appears to depend on specific assumptions. The first results of detailed numerical modeling of spatial and temporal variations of particle sizes in presolar clouds, both static and collapsing, is reported in this article.

  14. Static and dynamic properties of supercooled water in small nanotubes.

    PubMed

    Khademi, Mahdi; Sahimi, Muhammad

    2016-07-14

    The static and dynamic properties of water in small silicon-carbide and carbon nanotubes have been studied over the temperature range 100 K-298 K, using extensive molecular dynamics simulations. The computed properties include the radial distribution function, the cage correlation function, the space-time autocorrelation function, the velocity autocorrelation function, and the self-diffusivity. They all indicate that, under the conditions that we study, water does not freeze in small nanotubes; the Stokes-Einstein relation breaks down, and the self-diffusivity exhibits a transition around 230 K, very close to 228 K, the temperature at which a fragile-to-strong dynamic crossover is supposed to happen. The cage correlation function C(t) decays according to a stretched-exponential function, C(t) ∼ exp[ - (t/τ)(β)], where τ is a relaxation time and β is a topological exponent. PMID:27421415

  15. Static gas analysis by a transient flow technique

    SciTech Connect

    Leckey, J.H.; Boeckmann, M.D.

    1988-07-01

    A technique is presented for using a residual gas analyzer (RGA) to analyze small concentrations of heavy gases in lighter gases in a static volume of <10 cm/sup 3/ . Passing the gas sample through a control valve causes it to enter the RGA chamber in molecular flow. This procedure results in fractionation that causes enrichment of the heavier gas during the evacuation of the sample, giving rise to a significantly higher heavy gas signal near the end of the evacuation, while maintaining low pressures in the RGA chamber that are required for linearity. This heavy gas enrichment near the end of the evacuation results in a significant reduction in its detection limit. Specific examples are presented for the analysis of argon in hydrogen and are compared to a gas-flow model of the system.

  16. Static and dynamic properties of supercooled water in small nanotubes

    NASA Astrophysics Data System (ADS)

    Khademi, Mahdi; Sahimi, Muhammad

    2016-07-01

    The static and dynamic properties of water in small silicon-carbide and carbon nanotubes have been studied over the temperature range 100 K-298 K, using extensive molecular dynamics simulations. The computed properties include the radial distribution function, the cage correlation function, the space-time autocorrelation function, the velocity autocorrelation function, and the self-diffusivity. They all indicate that, under the conditions that we study, water does not freeze in small nanotubes; the Stokes-Einstein relation breaks down, and the self-diffusivity exhibits a transition around 230 K, very close to 228 K, the temperature at which a fragile-to-strong dynamic crossover is supposed to happen. The cage correlation function C(t) decays according to a stretched-exponential function, C(t) ˜ exp[ - (t/τ)β], where τ is a relaxation time and β is a topological exponent.

  17. Carbohydrate-protein interactions investigated on plastic chips statically coated with hydrophobically modified hydroxyethylcellulose.

    PubMed

    Dang, Fuquan; Maeda, Eiki; Osafune, Tomo; Nakajima, Kazuki; Kakehi, Kazuaki; Ishikawa, Mitsuru; Baba, Yoshinobu

    2009-12-15

    We developed a novel method for rapid screening of carbohydrate-protein interactions using poly(methyl methacrylate) (PMMA) channels statically coated with hydrophobically modified hydroxyethylcellulose (HM-HEC). We found that a self-assembled monolayer (SAM) of HM-HEC on a PMMA surface intact by water allows rapid and reproducible separations of glycan samples using a 20 mM phosphate without HM-HEC. The underlying mechanism for dynamic and static coatings on the PMMA surface is discussed. Simultaneous analysis of the molecular interaction between a complex mixture of carbohydrates from alpha1-acid glycoprotein and proteins has been successfully achieved in PMMA channels statically coated with a SAM of HM-HEC.

  18. Extended Møller-Plesset perturbation theory for dynamical and static correlations

    SciTech Connect

    Tsuchimochi, Takashi Van Voorhis, Troy

    2014-10-28

    We present a novel method that appropriately handles both dynamical and static electron correlations in a balanced manner, using a perturbation theory on a spin-extended Hartree-Fock (EHF) wave function reference. While EHF is a suitable candidate for degenerate systems where static correlation is ubiquitous, it is known that most of dynamical correlation is neglected in EHF. In this work, we derive a perturbative correction to a fully spin-projected self-consistent wave function based on second-order Møller-Plesset perturbation theory (MP2). The proposed method efficiently captures the ability of EHF to describe static correlation in degeneracy, combined with MP2's ability to treat dynamical correlation effects. We demonstrate drastic improvements on molecular ground state and excited state potential energy curves and singlet-triplet splitting energies over both EHF and MP2 with similar computational effort to the latter.

  19. NAMING DYNAMIC AND STATIC ACTIONS: NEUROPSYCHOLOGICAL EVIDENCE

    PubMed Central

    Tranel, Daniel; Manzel, Kenneth; Asp, Erik; Kemmerer, David

    2008-01-01

    There has been considerable interest in identifying the neural correlates of action naming, but the bulk of previous work on this topic has utilized static stimuli. Recent research comparing the visual processing of dynamic versus static actions suggests that these two types of stimuli engage largely overlapping neural systems, raising the possibility that the higher-order processing requirements for naming dynamic and static actions might not be very different. To explore this issue in greater depth, we developed the Dynamic Action Naming Test (DANT), which consists of 158 video clips 3–5 sec in length, for each of which the participant is asked to produce the most appropriate verb. We administered the DANT to 78 brain-damaged patients drawn from our Patient Registry, and to a demographically matched group of 50 normal participants. Out of the 16 patients who performed defectively on the DANT, nearly all (15/16) had damage in the left hemisphere. Lesion analysis indicated that the frontal operculum was the most frequent area of damage in the 15 patients; also, damage to the posterolateral temporal-occipital sector (in and near MT) was specifically related to defective dynamic action naming. Most of the brain-damaged participants (n = 71) also received our Static Action Naming Test (SANT), and we found that performances on verb items that were common across the DANT and SANT were highly correlated (R = .91). Moreover, patients who failed the DANT almost invariably also failed the SANT. These findings lend further support to the hypothesis that there is considerable commonality in the neural systems underlying the use of verbs to orally name dynamic and static actions, a conclusion that is in turn compatible with the concept of “representational momentum.” Our results also contribute more generally to the rapidly growing field of research on embodied cognition. PMID:18486456

  20. Investigation of the static and dynamic fragmentation of metallic liquid sheets induced by random surface fluctuations

    NASA Astrophysics Data System (ADS)

    Durand, O.; Soulard, L.; Bourasseau, E.; Filippini, G.

    2016-07-01

    We perform molecular dynamics simulations to investigate the static and dynamic fragmentation of metallic liquid sheets of tin induced by random surface fluctuations. The static regime is analyzed by simulating sheets of different thicknesses, and the dynamic fragmentation is ensured by applying along the longitudinal direction of a sheet an instantaneous expansion velocity per initial unit length (expansion rate) with values ranging from 1 × 109 to 3 × 1010 s-1. The simulations show that the static/dynamic fragmentation becomes possible when the fluctuations of the upper and lower surfaces of the sheets can either overlap or make the local volume density of the system go down below a critical value. These two mechanisms cause locally in the sheet the random nucleation of pores of void, on a timescale that exponentially increases with the sheet thickness. Afterwards, the pores develop following distinct stages of growth, coalescence, and percolation, and later in time aggregates of liquid metal are formed. The simulations also show that the fragmentation of static sheets is characterized by relatively mono-dispersed surface and volume distributions of the pores and aggregates, respectively, whereas in extreme conditions of dynamic fragmentation (expansion rate typically in the range of 1 × 1010 s-1), the distributions are rather poly-dispersed and obey a power law decay with surface (volume). A model derived from the simulations suggests that both dynamic and static regimes of fragmentation are similar for expansion rates below typically 1 × 107 s-1.

  1. Static spherically symmetric wormholes with isotropic pressure

    NASA Astrophysics Data System (ADS)

    Cataldo, Mauricio; Liempi, Luis; Rodríguez, Pablo

    2016-06-01

    In this paper we study static spherically symmetric wormhole solutions sustained by matter sources with isotropic pressure. We show that such spherical wormholes do not exist in the framework of zero-tidal-force wormholes. On the other hand, it is shown that for the often used power-law shape function there are no spherically symmetric traversable wormholes sustained by sources with a linear equation of state p = ωρ for the isotropic pressure, independently of the form of the redshift function ϕ (r). We consider a solution obtained by Tolman at 1939 for describing static spheres of isotropic fluids, and show that it also may describe wormhole spacetimes with a power-law redshift function, which leads to a polynomial shape function, generalizing a power-law shape function, and inducing a solid angle deficit.

  2. Shock and Static Compression of Nitrobenzene

    NASA Astrophysics Data System (ADS)

    Kozu, Naoshi; Arai, Mitsuru; Tamura, Masamitsu; Fujihisa, Hiroshi; Aoki, Katsutoshi; Yoshida, Masatake

    2000-08-01

    The Hugoniot and static compression curve (isotherm) were investigated using explosive plane wave generators and diamond anvil cells, respectively. The obtained Hugoniot from the shock experiments is represented by two linear lines: Us=2.52+1.23 up (0.8static high pressure over 7 GPa, nitrobenzene undergoes a reaction that is expected to be polymerization. Considering the Hugoniot and the isotherm, it is plausible that shocked nitrobenzene (<15 GPa) is in the liquid state.

  3. Static Thrust Analysis of the Lifting Airscrew

    NASA Technical Reports Server (NTRS)

    Knight, Montgomery; Hefner, Ralph A

    1937-01-01

    This report presents the results of a combined theoretical and experimental investigation conducted at the Georgia School of Technology on the static thrust of the lifting air screw of the type used in modern autogiros and helicopters. The theoretical part of this study is based on Glauert's analysis but certain modifications are made that further clarify and simplify the problem. Of these changes the elimination of the solidity as an independent parameter is the most important. The experimental data were obtained from tests on four rotor models of two, four, and five blades and, in general, agree quite well with the theoretical calculations. The theory indicates a method of evaluating scale effects on lifting air screws, and these corrections have been applied to the model results to derive general full-scale static thrust, torque, and figure-of-merit curves for constant-chord, constant-incidence rotors. Convenient charts are included that enable hovering flight performance to be calculated rapidly.

  4. Static shear modulus of electrorheological fluids.

    PubMed

    Shi, Lihong; Tam, Wing Yim; Huang, Xianxiang; Sheng, Ping

    2006-05-01

    We report measurements of the static shear modulus of electrorheological (ER) fluids consisting of water-wetted silica microspheres in silicone oil. A shear-annealing method, using creep-recovery (CR) cycles under an external electric field, is used to enhance ER properties of the fluid. The shear-annealing method enables the silica spheres in the ER fluid to form better aligned and denser column microstructures. A stable state with elastic shear deformation is obtained after a sufficient number of CR cycles, with an optimal combination of stress duration and shear strength. Static shear modulus is obtained by measuring the elastic deformations at different shear stresses for an electric field frequency from 10 to 1000 Hz. A water-bridge model is proposed to explain the enhanced shear modulus.

  5. Linking dynamical heterogeneity to static amorphous order

    NASA Astrophysics Data System (ADS)

    Charbonneau, Patrick; Dyer, Ethan; Lee, Jaehoon; Yaida, Sho

    2016-07-01

    Glass-forming liquids grow dramatically sluggish upon cooling. This slowdown has long been thought to be accompanied by a growing correlation length. Characteristic dynamical and static length scales, however, have been observed to grow at different rates, which perplexes the relationship between the two and with the slowdown. Here, we show the existence of a direct link between dynamical sluggishness and static point-to-set correlations, holding at the local level as we probe different environments within a liquid. This link, which is stronger and more general than that observed with locally preferred structures, suggests the existence of an intimate relationship between structure and dynamics in a broader range of glass-forming liquids than previously thought.

  6. Static magnetotherapy for the treatment of insomnia.

    PubMed

    Shieh, Yao Y; Tsai, Fong Y

    2008-01-01

    Magnets have been used for centuries to treat a number of physical disorders. The vast majority of research, however, on static magnet therapy for insomnia has been confined to the auricular type of therapy, with publications limited to Chinese journals. Most of these studies have depended on the subjective self-assessment of participants rather than objective scientific measurements. In this study, the authors report the positive preliminary results of insomnia treatment using pillows with embedded magnets, magnetic insoles and TriPhase bracelets. The analysis is based on objective actigraphic and polysomnographic data. A theory of accelerated transition from wakefulness to sleep is proposed to explain the process of insomnia relief through low-strength static magnetic fields. Analysis by functional Magnetic Resonance Imaging (fMRI) is used to further investigate the theory. PMID:19174368

  7. Variational approach for static mirror structures

    SciTech Connect

    Kuznetsov, E. A.; Passot, T.; Sulem, P. L.; Ruban, V. P.

    2015-04-15

    Anisotropic static plasma equilibria where the parallel and perpendicular pressures are only functions of the amplitude of the local magnetic field are shown to be amenable to a variational principle with a free energy density given by the parallel tension. This approach is used to demonstrate that two-dimensional small-amplitude static magnetic holes constructed from a Grad-Shafranov type equation slightly below the (subcritical) mirror instability threshold identify with lump solitons of KPII equation, but turn out to be unstable. Differently, large-amplitude magnetic structures, which are stable as they realize a minimum of the free energy, are computed using a gradient method within two-dimensional numerical simulations where the regularizing effect of finite Larmor radius corrections is retained. Interestingly, these structures transform from stripes to bubbles when the angle of the magnetic field with the coordinate plane is increased.

  8. Motion Generated Static Electricity in Metals

    NASA Astrophysics Data System (ADS)

    Liao Feng, Chung

    2004-03-01

    The charge state of a metallic object, neutral when stationary, is observed to become positive when in motion. This phenomenon was discovered while testing a hypothesis which expects atoms to be more positive when moving faster. The same hypothesis has also led to the discovery of the phenomena of static electric charges being produced by thermal changes during vaporization, condensation and heating of water. The phenomena due to thermal changes were reported at the American Physical Society meetings of MAR02 (W30 4: Electricity of Vaporization and Condensation) and MAR03 (J1 206: Static Electricity from Heating and Cooling). The phenomenon of charges generated by motion can be seen in simple experiments, by the difference in the charge state of a metal rotor between motionless and spinning. The hypothesis and the phenomenon will be discussed. Some of the experiments will be demonstrated.

  9. Non-self-dual static gauge fields

    NASA Astrophysics Data System (ADS)

    Oh, C. H.; Teh, Rosy

    1980-01-01

    We exhibit exact non-self-dual static solutions to the SU(2) Yang-Mills field equations by solving the equation ∇2V+λV3=0 using cylindrical and spherical coordinates. The resulting gauge fields are complex and have singularities. For the cylindrically symmetric solution, we convert it into a real gauge field coupled to the Higgs field in the limit in which the self-interaction potential of the Higgs field vanishes.

  10. Manipulating Cells with Static Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Valles, J. M.; Guevorkian, K.

    2005-07-01

    We review our investigations of the use of static magnetic fields, B, for manipulating cells and cellular processes. We describe how B fields modify the cell division pattern of frog embryos and consequently can be used to probe the pattern determinants. We also observe that magnetic fields modify the swimming behavior of Paramecium Caudatum. We describe these modifications and their potential application to investigations of their swimming behavior.

  11. Static ocular counterroll reflex in skew deviation

    PubMed Central

    Chandrakumar, M.; Blakeman, A.; Goltz, H.C.; Sharpe, J.A.

    2011-01-01

    Objective: The static ocular counterroll (OCR) reflex generates partially compensatory torsional eye movements during head roll. It is mediated by the utricle in the inner ear. Skew deviation is a vertical strabismus thought to be caused by imbalance in the utriculo-ocular pathway. We hypothesized that if skew deviation is indeed caused by damage to this reflex pathway, patients with skew deviation would show abnormal OCR. Methods: Eighteen patients with skew deviation caused by brainstem or cerebellar lesions and 18 normal participants viewed a target at 1 m. Ocular responses to static passive head roll-tilts of approximately 20° were recorded using search coils. Static OCR gain was calculated as the change in torsional eye position divided by the change in head position during sustained head roll. Perception of the subjective visual vertical (SVV) was also measured. Results: Group mean OCR gain was reduced by 45% in patients. At an individual level, OCR gains were asymmetric between eyes and between torsional directions in 90% of patients. In addition, the hypotropic eye incyclotorting gain was lower than the hypertropic eye excyclotorting gain during head roll toward the hypotropic eye in 94% of patients. No consistent pattern of gain asymmetry was found during head roll toward the hypertropic eye. The SVV was tilted toward the hypotropic eye. Conclusion: Static OCR gain is significantly reduced in skew deviation. Interocular and directional gain asymmetries are also prevalent. The asymmetries provide further evidence that disruption of the utriculo-ocular pathway is a mechanism for skew deviation. PMID:21813791

  12. Slinky Mechanics: Static Shapes and Unstable States

    NASA Astrophysics Data System (ADS)

    Holmes, Douglas; Borum, Andy; Moore, Billy; Plaut, Raymond; Dillard, David

    2014-03-01

    The floppy nature of a tumbling Slinky has captivated children and adults alike for over half a century. Highly flexible, the spring will walk down stairs, turn over in your hands, and-much to the chagrin of children everywhere-become easily entangled. The Slinky is an educational tool for demonstrating standing waves, and a structural inspiration due to its ability to extend to many times beyond its initial length without imparting plastic strain on the material. In this work, we provide a mechanical model that captures the static equilibrium configurations of the Slinky in terms of its geometric and material properties. We present both continuous and discrete models to capture a Slinky's static equilibria and unstable transitions. We compare these with experimental results obtained for the Slinky's static equilibrium shapes. We emphasize the importance of modeling coil contact, and determine the critical criteria for the Slinky to topple over in terms of a tilt angle, and the vertical displacement of one bale of coils. Finally, we provide a general description of highly flexible helical springs by considering the nondimensional potential energy of the spring, which characterizes the ``Slinkiness'' of a spring.

  13. Dielectric properties of SPC/E and TIP4P under the static electric field and microwave field

    NASA Astrophysics Data System (ADS)

    Li, Di; Jia, Guo-zhu

    2016-05-01

    Nonequilibrium molecular dynamics simulations of the SPC/E and TIP4P models have been performed both in the absence and presence of the static electric field (0-3×109 V/m) and the microwave field (2.45 G, 0-3×109 V/m). The radial distribution function, dielectric constant, polarizability, dielectric relaxation time, hydrogen bonding and diffusion coefficient were investigated. Significant alteration in the static electric field has effect on the tetrahedral structure of water; the interaction between microwave and water depends on the hydrogen bonding. The 3×107 V/m is threshold intensity, as the intensity of the static electric field increases the decline of the dielectric constant becomes more pronounced, and the polarizability obviously increased with the increase of microwave field. And the life of hydrogen bonding is oscillatory under the high static electric field strength.

  14. 14 CFR 33.64 - Pressurized engine static parts.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... combination of both, that all static parts subject to significant gas or liquid pressure loads for a... significant static loads in addition to pressure loads; (3) Minimum properties representative of both...

  15. 14 CFR 33.64 - Pressurized engine static parts.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... combination of both, that all static parts subject to significant gas or liquid pressure loads for a... significant static loads in addition to pressure loads; (3) Minimum properties representative of both...

  16. What Sexual Recidivism Rates Are Associated With Static-99R and Static-2002R Scores?

    PubMed

    Hanson, R Karl; Thornton, David; Helmus, Leslie-Maaike; Babchishin, Kelly M

    2016-04-01

    Empirical actuarial risk tools are routinely used to assess the recidivism risk of adult sexual offenders. Compared with other forms of risk assessment, one advantage of actuarial risk tools is that they provide recidivism rate estimates. Previous research, however, suggests that there is considerable variability in the recidivism rates associated with the most commonly used sexual offender risk assessment tools (Static-99/R, Static-2002/R). The current study examined the extent to which the variability in the recidivism rates across 21 Static-99R studies (N = 8,805) corresponded to the normative groups proposed by the STATIC development group (routine, treatment, high risk/high need). We found strong evidence that routine (i.e., complete) samples were, on average, less likely to reoffend with a sexual offense than offenders in the high-risk/high-need samples (i.e., those explicitly preselected on risk-relevant variables external to STATIC scales). The differences between routine/complete and high-risk/high-need samples, however, were only consistently observed for offenders with low or moderate scores; for offenders with high STATIC scores, the 5-year sexual recidivism rates for these two groups were not meaningfully different. There was only limited evidence to support treatment samples as a distinct sample type; consequently, the use of separate normative tables for treatment samples is not recommended. The current results reinforce the value of regularly updating the norms for empirical actuarial risk tools. Options are discussed on how STATIC scores could be used to inform recidivism rates estimates in applied assessments.

  17. Static balance and developmental coordination disorder.

    PubMed

    Geuze, Reint H

    2003-11-01

    The development of static balance is a basic characteristic of normal motor development. Most of the developmental motor tests include a measure of static balance. Children with a developmental coordination disorder (DCD) often fail this item. Twenty-four children at risk for DCD with balance problems (DCD-BP) and 24 matched control children in the age range of 6-12 years participated in a detailed study of balance control. Additional groups of children (6-7 years, N=25; 10-11 years, n=16; with M-ABC scores >15th percentile) were selected randomly to study developmental changes in balance control in the age range of interest. Three experiments were conducted to examine developmental and clinical differences in the control of static balance. In the first, we measured the excursion of the centre of pressure (force-plate) in conditions with and without vision while standing still on one or two legs for 20 s. In the second experiment, EMGs were measured while standing on one leg. In the third experiment, in which only a subgroup of the DCD-BP and matched control children participated, a short unexpected force in the back lightly perturbed normal standing and EMG and force-plate responses were measured during balance recovery. In conditions of one-leg stance, children were not always able to maintain balance. Only epochs of stable postural control (7.5-20 s) were analysed. The results showed improvement of static balance with age, but only subtle differences between the DCD and control groups. Centre of pressure measures differed in the more difficult conditions. DCD-BP children had more difficulty standing on one leg with eyes closed. While standing on the non-preferred leg the EMGs of the DCD-BP children showed slightly more co-activation of the muscles of lower and upper leg. Perturbation of standing resulted in longer duration of recovery in the first trial in this group. Apparently DCD children learn to compensate for the perturbation within a few trials as well as

  18. Statistics of Static Stress Earthquake Triggering

    NASA Astrophysics Data System (ADS)

    Nandan, S.; Ouillon, G.; Woessner, J.; Sornette, D.; Wiemer, S.

    2014-12-01

    A likely source of earthquake clustering is static and/or dynamic stresses transferred by individual events. Previous attempts to quantify the role of static stress generally considered only the stress changes caused by large events, and often discarded data uncertainties. We test the static stress change hypothesis empirically by considering all events of magnitude M≥ 2.1 and the uncertainties in location and focal mechanism in the focal mechanism catalog for Southern California between 1981 and 2010 (Yang et al., 2011). We quantify: How the waiting time between earthquakes (1) relates to the Coulomb stress change (2) induced by event Ei at the location of Ej; How significant is the Coulomb Index (CI), fraction of source-receiver pairs with positive ∆CFS interactions, conditioned on time and amplitude of ∆CFS, compared to a mean-field CI derived from the time-independent structure of the fault network. We approximate the waiting time distributions empirically by (3), which respectively consists of triggering and background rate components, tapered by an exponential term to model the finiteness of the catalog. We observe that K/(Bc^p ) (the ratio of the triggering to the background rates at t=0), the exponent p, and the Maxwell time τ all increase with |∆CFS| and are significantly larger for positive than for negative ∆CFS's. τ varies between ~90 days and ~150 days (approximately 0.3 decades over 6 decades of variation in stress). It defines the time beyond which the memory of stress is overprinted by occurrence of other events. The CI values become significant above a threshold |∆CFS|. The mean-field CI is 52%, while the maximum observed CI value is ~60%. Correcting for the focal plane ambiguity, those values become respectively ~55% and ~72%. Lastly, the CI values decrease with the waiting time and converge to the mean-field CI value. The increase of p-value and K/(Bc^p ) with |∆CFS| contradicts the prediction of stress shadow regions where

  19. Disequilibrium melt distributions during static recrystallisation

    NASA Astrophysics Data System (ADS)

    Walte, N. P.; Bons, P. D.; Passchier, C. W.; Koehn, D.; Arnold, J.

    2003-04-01

    DISEQUILIBRIUM MELT DISTRIBUTIONS DURING STATIC RECRYSTALLISATION N.P. Walte (1), P.D. Bons (2), C.W. Passchier (1), D. Koehn (1), J. Arnold (1) (1) Institute for Earth Sciences, Johannes Gutenberg-University, Mainz, Germany, (2) Institute for Earth Sciences, Eberhard Karls University, Tübingen, Germany (walte@mail.uni-mainz.de) The geometry of melt-filled pores in a partially molten rock strongly controls the permeability, rheology and initial segregation of melt. Current theory for monomineralic aggregates, using only the wetting angle and melt fraction as parameters, predicts a perfectly regular melt framework or equally shaped melt inclusions on grain boundary junctions. However, published melt-present high-temperature experiments with rock forming minerals such as quartz or olivine show considerable deviations from this predicted regular equilibrium melt geometry. Disequilibrium features, such as fully wetted grain boundaries, melt lenses, and large melt patches have been described, and were attributed to surface energy anisotropy of the minerals. This study used static analogue experiments with norcamphor plus ethanol liquid, that allow continuous in-situ observation of the evolving distribution of melt during static recrystallisation. The liquid-crystal surface energy of norcamphor is effectively isotropic. For the experiments an approximately 0.1 mm thin sample of norcamphor plus ethanole was placed between two glass plates and observed with a miroscope. Ethanol was used as a melt analogue because it allows to run experiments at room temperature, avoiding any temperature gradients. The wetting angle is approximately 15°, which is well below 60° and within the range reported for quartz and olivine plus melt experiments. The experiments show that all described disequilibrium features can form during fluid-enhanced static recrystallisation, especially where surrounding grains consume small, few-sided grains. These features are unstable and transient: a

  20. Static and dynamic correlations in water at hydrophobic interfaces

    PubMed Central

    Mittal, Jeetain; Hummer, Gerhard

    2008-01-01

    We study the static and dynamic properties of the water-density fluctuations in the interface of large nonpolar solutes. With the help of extensive molecular dynamics simulations of TIP4P water near smooth spherical solutes, we show that for large solutes, the interfacial density profile is broadened by capillary waves. For purely repulsive solutes, the squared width of the interface increases linearly with the logarithm of the solute size, as predicted by capillary-wave theory. The apparent interfacial tension extracted from the slope agrees with that of a free liquid–vapor interface. The characteristic length of local density fluctuations is ≈0.5 nm, measured along the arc, again consistent with that of a free liquid–vapor interface. Probed locally, the interfacial density fluctuations exhibit large variances that exceed those expected for an ideal gas. Qualitatively consistent with theories of the free liquid–vapor interface, we find that the water interface near large and strongly nonpolar solutes is flickering, broadened by capillary-wave fluctuations. These fluctuations result in transitions between locally wet and dry regions that are slow on a molecular time scale. PMID:19074279

  1. Statics and dynamics of colloidal particles on optical tray arrays

    SciTech Connect

    Reichardt, Charles; Reichhardt, Cynthia J

    2009-01-01

    We examine the statics and dynamics of charged colloids interacting with periodic optical trap arrays. In particular we study the regime where more than one colloid is confined in each trap, creating effective dimer, trimer, and higher order states called colloidal molecular crystals. The n-mer states have all effective orientational degree of freedom which can be controlled with an external driving field. In general, the external field causes a polarization effect where the orientation of the n-mers aligns with the external field, similar to liquid crystal systems. Additionally, under a rotating external drive the n-mers can rotate with the drive. In some cases a series of structural transitions in the colloidal crystal states occur in the rotating field due to a competition between the ordering of the colloidal molecular crystals and the polarization effect which orients the n-mers in the direction of the drive. We also show that for some parameters, the n-mers continuously rotate with the drive without witching, that depinning transitions can occur where the colloids jump from well to well, and that there are a number of distinct dynamical transitions between the phases. Finally, we illustrate colloidal orderings at fillings of more than four colloids per trap, indicating that it is possible to create higher order colloidal crystal cluster phases.

  2. 30 CFR 18.67 - Static-pressure tests.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Static-pressure tests. 18.67 Section 18.67....67 Static-pressure tests. Static-pressure tests shall be conducted by the applicant on each enclosure... pressure to be applied shall be 150 pounds per square inch (gage) or one and one-half times the...

  3. 30 CFR 18.67 - Static-pressure tests.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Static-pressure tests. 18.67 Section 18.67....67 Static-pressure tests. Static-pressure tests shall be conducted by the applicant on each enclosure... pressure to be applied shall be 150 pounds per square inch (gage) or one and one-half times the...

  4. 14 CFR 25.1325 - Static pressure systems.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Static pressure systems. 25.1325 Section 25... pressure systems. (a) Each instrument with static air case connections must be vented to the outside... manner that the static pressure system performance is least affected by airflow variation, or by...

  5. 14 CFR 27.1325 - Static pressure systems.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Static pressure systems. 27.1325 Section 27... pressure systems. (a) Each instrument with static air case connections must be vented so that the influence... foreign matter does not seriously affect its accuracy. (b) Each static pressure port must be designed...

  6. 14 CFR 25.1325 - Static pressure systems.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Static pressure systems. 25.1325 Section 25... pressure systems. (a) Each instrument with static air case connections must be vented to the outside... manner that the static pressure system performance is least affected by airflow variation, or by...

  7. 14 CFR 25.1325 - Static pressure systems.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Static pressure systems. 25.1325 Section 25... pressure systems. (a) Each instrument with static air case connections must be vented to the outside... manner that the static pressure system performance is least affected by airflow variation, or by...

  8. 30 CFR 18.67 - Static-pressure tests.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Static-pressure tests. 18.67 Section 18.67....67 Static-pressure tests. Static-pressure tests shall be conducted by the applicant on each enclosure... pressure to be applied shall be 150 pounds per square inch (gage) or one and one-half times the...

  9. 30 CFR 18.67 - Static-pressure tests.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Static-pressure tests. 18.67 Section 18.67....67 Static-pressure tests. Static-pressure tests shall be conducted by the applicant on each enclosure... pressure to be applied shall be 150 pounds per square inch (gage) or one and one-half times the...

  10. 14 CFR 27.1325 - Static pressure systems.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Static pressure systems. 27.1325 Section 27... pressure systems. (a) Each instrument with static air case connections must be vented so that the influence... foreign matter does not seriously affect its accuracy. (b) Each static pressure port must be designed...

  11. 14 CFR 25.1325 - Static pressure systems.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Static pressure systems. 25.1325 Section 25... pressure systems. (a) Each instrument with static air case connections must be vented to the outside... manner that the static pressure system performance is least affected by airflow variation, or by...

  12. 30 CFR 18.67 - Static-pressure tests.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Static-pressure tests. 18.67 Section 18.67....67 Static-pressure tests. Static-pressure tests shall be conducted by the applicant on each enclosure... pressure to be applied shall be 150 pounds per square inch (gage) or one and one-half times the...

  13. 14 CFR 27.1325 - Static pressure systems.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Static pressure systems. 27.1325 Section 27... pressure systems. (a) Each instrument with static air case connections must be vented so that the influence... foreign matter does not seriously affect its accuracy. (b) Each static pressure port must be designed...

  14. 14 CFR 27.1325 - Static pressure systems.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Static pressure systems. 27.1325 Section 27... pressure systems. (a) Each instrument with static air case connections must be vented so that the influence... foreign matter does not seriously affect its accuracy. (b) Each static pressure port must be designed...

  15. 30 CFR 56.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Static electricity dissipation during loading... Explosives Extraneous Electricity § 56.6602 Static electricity dissipation during loading. When explosive material is loaded pneumatically into a blasthole in a manner that generates a static electricity...

  16. 30 CFR 56.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Static electricity dissipation during loading... Explosives Extraneous Electricity § 56.6602 Static electricity dissipation during loading. When explosive material is loaded pneumatically into a blasthole in a manner that generates a static electricity...

  17. 30 CFR 56.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Static electricity dissipation during loading... Explosives Extraneous Electricity § 56.6602 Static electricity dissipation during loading. When explosive material is loaded pneumatically into a blasthole in a manner that generates a static electricity...

  18. 30 CFR 56.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Static electricity dissipation during loading... Explosives Extraneous Electricity § 56.6602 Static electricity dissipation during loading. When explosive material is loaded pneumatically into a blasthole in a manner that generates a static electricity...

  19. 30 CFR 56.6602 - Static electricity dissipation during loading.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Static electricity dissipation during loading... Explosives Extraneous Electricity § 56.6602 Static electricity dissipation during loading. When explosive material is loaded pneumatically into a blasthole in a manner that generates a static electricity...

  20. 17 CFR 229.1105 - (Item 1105) Static pool information.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 17 Commodity and Securities Exchanges 2 2012-04-01 2012-04-01 false (Item 1105) Static pool....1105 (Item 1105) Static pool information. (a) For amortizing asset pools, unless the registrant determines that such information is not material: (1) Provide static pool information, to the extent...

  1. 17 CFR 229.1105 - (Item 1105) Static pool information.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 17 Commodity and Securities Exchanges 3 2014-04-01 2014-04-01 false (Item 1105) Static pool....1105 (Item 1105) Static pool information. (a) For amortizing asset pools, unless the registrant determines that such information is not material: (1) Provide static pool information, to the extent...

  2. 17 CFR 229.1105 - (Item 1105) Static pool information.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 17 Commodity and Securities Exchanges 2 2011-04-01 2011-04-01 false (Item 1105) Static pool....1105 (Item 1105) Static pool information. (a) For amortizing asset pools, unless the registrant determines that such information is not material: (1) Provide static pool information, to the extent...

  3. 14 CFR 33.64 - Pressurized engine static parts.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... engine static parts. (a) Strength. The applicant must establish by test, validated analysis, or a combination of both, that all static parts subject to significant gas or liquid pressure loads for a... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Pressurized engine static parts....

  4. 49 CFR 238.203 - Static end strength.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 4 2011-10-01 2011-10-01 false Static end strength. 238.203 Section 238.203... Equipment § 238.203 Static end strength. (a)(1) Except as further specified in this paragraph or in paragraph (d), on or after November 8, 1999 all passenger equipment shall resist a minimum static end...

  5. The Static Ladder Problem with Two Sources of Friction

    ERIC Educational Resources Information Center

    Bennett, Jonathan; Mauney, Alex

    2011-01-01

    The problem of a ladder leaning against a wall in static equilibrium is a classic example encountered in introductory mechanics texts. Most discussions of this problem assume that the static frictional force between the ladder and wall can be ignored. A few authors consider the case where the static friction coefficients between ladder/wall…

  6. 14 CFR 23.177 - Static directional and lateral stability.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Static directional and lateral stability... Flight Stability § 23.177 Static directional and lateral stability. (a) The static directional stability... stability, as shown by the tendency to raise the low wing in a sideslip, must be positive for all...

  7. 14 CFR 25.177 - Static lateral-directional stability.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Static lateral-directional stability. 25... AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Flight Stability § 25.177 Static lateral-directional stability. (a) The static directional stability (as shown by the tendency to recover from a...

  8. 14 CFR 23.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Demonstration of static longitudinal stability. 23.175 Section 23.175 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF... Flight Stability § 23.175 Demonstration of static longitudinal stability. Static longitudinal...

  9. 14 CFR 23.177 - Static directional and lateral stability.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Static directional and lateral stability... Flight Stability § 23.177 Static directional and lateral stability. (a) The static directional stability... stability, as shown by the tendency to raise the low wing in a sideslip, must be positive for all...

  10. 14 CFR 25.177 - Static lateral-directional stability.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Static lateral-directional stability. 25... AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Flight Stability § 25.177 Static lateral-directional stability. (a) The static directional stability (as shown by the tendency to recover from a...

  11. 14 CFR 25.1325 - Static pressure systems.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... pressure systems. (a) Each instrument with static air case connections must be vented to the outside... or other foreign matter, and that the correlation between air pressure in the static pressure system... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Static pressure systems. 25.1325 Section...

  12. 14 CFR 27.1325 - Static pressure systems.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... pressure systems. (a) Each instrument with static air case connections must be vented so that the influence... located in such manner that the correlation between air pressure in the static pressure system and true... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Static pressure systems. 27.1325 Section...

  13. Static Enforcement of Static Separation-of-Duty Policies in Usage Control Authorization Models

    NASA Astrophysics Data System (ADS)

    Lu, Jianfeng; Li, Ruixuan; Hu, Jinwei; Xu, Dewu

    Separation-of-Duty (SoD) is a fundamental security principle for prevention of fraud and errors in computer security. It has been studied extensively in traditional access control models. However, the research of SoD policy in the recently proposed usage control (UCON) model has not been well studied. This paper formulates and studies the fundamental problem of static enforcement of static SoD (SSoD) policies in the context of UCONA, a sub-model of UCON only considering authorizations. Firstly, we define a set-based specification of SSoD policies, and the safety checking problem for SSoD in UCONA. Secondly, we study the problem of determining whether an SSoD policy is enforceable. Thirdly, we show that it is intractable (coNP-complete) to direct statically enforce SSoD policies in UCONA, while checking whether a UCONA state satisfies a set of static mutually exclusive attribute (SMEA) constraints is efficient, which provides a justification for using SMEA constraints to enforce SSoD policies. Finally, we introduce a indirect static enforcement for SSoD policies in UCONA. We show how to generate the least restrictive SMEA constraints for enforcing SSoD policies in UCONA, by using the attribute-level SSoD requirement as an intermediate step. The results are fundamental to understanding SSoD policies in UCON.

  14. Parametric resonances of a conductive pipe driven by an alternating magnetic field in the presence of a static magnetic field

    NASA Astrophysics Data System (ADS)

    Donoso, Guillermo; Ladera, Celso L.

    2012-03-01

    The parametric oscillations of an oscillator driven electromagnetically are presented. The oscillator is a conductive pipe hung from a spring, and driven by the oscillating magnetic field of a surrounding coil in the presence of a static magnetic field. It is an interesting case of parametric oscillations since the pipe is neither a magnet nor a ferromagnet, and because the driving and the damping forces are functions of the magnet-to-pipe distance. We develop an analytical model of the oscillator that leads to a new kind of Mathieu equation with nonlinear terms of third order in the oscillator position, and on the product of the squared position times the first derivative of the position function. We show how the oscillations evolve as the frequency is varied up to the saturation regime and present ample experimental evidence of the parametric nature of our oscillator. Because of its peculiarities and their advanced scientific and technological applications, parametric oscillations are very important for physicists and engineers at both senior undergraduate and graduate levels. This oscillator is very easy to set up and provides an excellent opportunity to learn all facets of parametric oscillations at both levels.

  15. LLNL small-scale static spark machine: static spark sensitivity test

    SciTech Connect

    Foltz, M F; Simpson, L R

    1999-08-23

    Small-scale safety testing of explosives and other energetic materials is done in order to determine their sensitivity to various stimuli, such as friction, static spark, and impact. Typically this testing is done to discover potential handling problems that may exist for either newly synthesized materials of unknown behavior, or materials that have been stored for long periods of time. This report describes the existing ''Static Spark Test Apparatus'' at Lawrence Livermore National Laboratory (LLNL), as well as the method used to evaluate the relative static spark sensitivity of energetic materials. The basic design, originally developed by the Picatinny Arsenal in New Jersey, is discussed. The accumulated data for the materials tested to date is not included here, with the exception of specific examples that have yielded interesting or unusual results during the tests.

  16. Static aeroelastic analysis for generic configuration wing

    NASA Technical Reports Server (NTRS)

    Lee, IN; Miura, Hirokazu; Chargin, Mladen K.

    1991-01-01

    A static aeroelastic analysis capability that calculates flexible air loads for generic configuration wings was developed. It was made possible by integrating a finite element structural analysis code (MSC/NASTRAN) and a panel code of aerodynamic analysis based on linear potential flow theory. The framework already built in MSC/NASTRAN was used, and the aerodynamic influence coefficient matrix was computed externally and inserted in the NASTRAN by means of a DMAP program. It was shown that deformation and flexible air loads of an oblique wing configuration including asymmetric wings can be calculated reliably by this code both in subsonic and supersonic speeds.

  17. Engineering mechanics: statics and dynamics. [Textbook

    SciTech Connect

    Sandor, B.I.

    1983-01-01

    The purpose of this textbook is to provide engineering students with basic learning material about statics and dynamics which are fundamental engineering subjects. The chapters contain information on: an introduction to engineering mechanics; forces on particles, rigid bodies, and structures; kinetics of particles, particle systems, and rigid bodies in motion; kinematics; mechanical vibrations; and friction, work, moments of inertia, and potential energy. Each chapter contains introductory material, the development of the essential equations, worked-out example problems, homework problems, and, finally, summaries of the essential methods and equations, graphically illustrated where appropriate. (LCL)

  18. Static quark potential in three flavor QCD

    SciTech Connect

    Bernard, Claude; Burch, Tom; Orginos, Kostas; Toussaint, Doug; DeGrand, Thomas A.; DeTar, Carleton; Gottlieb, Steven; Heller, Urs M.; Hetrick, James E.; Sugar, Bob

    2000-08-01

    We study the effects of dynamical quarks on the static quark potential at distances shorter than those where string breaking is expected. Quenched calculations and calculations with three flavors of dynamical quarks are done on sets of lattices with the lattice spacings matched within about one percent. The effect of the sea quarks on the shape of the potential is clearly visible. We investigate the consequences of these effects in a very crude model, namely solving Schroedinger's equation in the resulting potential. (c) 2000 The American Physical Society.

  19. Radiation-hard static induction transistor

    SciTech Connect

    Hanes, M.H.; Bartko, J.; Hwang, J.M.; Rai-Choudhury, P.; Leslie, S.G.

    1988-12-01

    The static induction transistor (SIT) has been proposed as a preferred power switching device for applications in military and space environments because of its potential for radiation hardness, high-frequency operation, and the incorporation of on-chip smart power sensor and logic functions. Design, fabrication, and characteristics of a 350 V, 100 A buried gate SIT are described. The potential radiation hardness of this class of devices was evaluated by measurement of SIT characteristics after irradiation with 100 Mrad electrons (2 MeV), and up to 10%16% fission neutrons/cm/sup 2/. High-temperature operation and the possibility of radiation damage self-annealing are discussed.

  20. Compiler-assisted static checkpoint insertion

    NASA Technical Reports Server (NTRS)

    Long, Junsheng; Fuchs, W. K.; Abraham, Jacob A.

    1992-01-01

    This paper describes a compiler-assisted approach for static checkpoint insertion. Instead of fixing the checkpoint location before program execution, a compiler enhanced polling mechanism is utilized to maintain both the desired checkpoint intervals and reproducible checkpoint 1ocations. The technique has been implemented in a GNU CC compiler for Sun 3 and Sun 4 (Sparc) processors. Experiments demonstrate that the approach provides for stable checkpoint intervals and reproducible checkpoint placements with performance overhead comparable to a previously presented compiler assisted dynamic scheme (CATCH) utilizing the system clock.