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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. A time correlation function theory describing static field enhanced third order optical effects at interfaces.

    PubMed

    Neipert, Christine; Space, Brian

    2006-12-14

    Sum vibrational frequency spectroscopy, a second order optical process, is interface specific in the dipole approximation. At charged interfaces, there exists a static field, and as a direct consequence, the experimentally detected signal is a combination of enhanced second and static field induced third order contributions. There is significant evidence in the literature of the importance/relative magnitude of this third order contribution, but no previous molecularly detailed approach existed to separately calculate the second and third order contributions. Thus, for the first time, a molecularly detailed time correlation function theory is derived here that allows for the second and third order contributions to sum frequency vibrational spectra to be individually determined. Further, a practical, molecular dynamics based, implementation procedure for the derived correlation functions that describe the third order phenomenon is also presented. This approach includes a novel generalization of point atomic polarizability models to calculate the hyperpolarizability of a molecular system. The full system hyperpolarizability appears in the time correlation functions responsible for third order contributions in the presence of a static field.

  4. 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

  5. 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

  6. Towards a unifying theory for the first-, second-, and third-order molecular (non)linear optical response

    NASA Astrophysics Data System (ADS)

    Pérez-Moreno, Javier; Clays, Koen; Kuzyk, Mark G.

    2010-05-01

    We present a procedure for the modeling of the dispersion of the nonlinear optical response of complex molecular structures that is based strictly on the results from experimental characterization. We show how under some general conditions, the use of the Thomas-Kuhn sum-rules leads to a successful modeling of the nonlinear response of complex molecular structures.

  7. Applying universal scaling laws to identify the best molecular design paradigms for third-order nonlinear optics

    NASA Astrophysics Data System (ADS)

    Perez-Moreno, Javier; Shafei, Shoresh; Kuzyk, Mark G.

    2016-12-01

    The scaling of the fundamental limits of the second hyperpolarizability is used to define the intrinsic second hyperpolarizability, which aids in identifying material classes with ultralarge nonlinear-optical response per unit of molecular size. The intrinsic nonlinear response is a size-independent metric that we apply to comparing classes of molecular homologues, which are made by adding repeat units to extend their lengths. Several new figures of merit are proposed that quantify not only the intrinsic nonlinear response, but also how the second hyperpolarizability increases with size within a molecular class. Scaling types can be classified into sub-scaling, nominal scaling that follows the theory of limits, and super-scaling behavior. Super-scaling homologues that have large intrinsic nonlinearity are the most promising because they efficiently take advantage of increased size. We apply our approach to data in the literature to identify the best super-scaling molecular paradigms and articulate the important underlying parameters.

  8. Perturbation theory of the electron correlation effects for atomic and molecular properties. Second- and third-order correlation corrections to molecular dipole moments and polarizabilities

    NASA Astrophysics Data System (ADS)

    Diercksen, G. H. F.; Sadlej, A. J.

    1981-08-01

    The many-body perturbation theory is applied for the calculation of the second- and third-order correlation corrections to the SCF HF dipole moments and polarizabilities of FH, H2O, NH3, and CH4. All calculations are performed by using the finite-field perturbation approach. The pertinent correlation corrections follow from the numerical differentiation of the second- and third-order field-dependent correlation energies. This computational scheme corresponds to a completely self-consistent treatment of the perturbation effects. The third-order corrected dipole moments are in excellent agreement with the experimental data and the best results of other authors. A comparison of the present perturbation corrections for polarizabilities with the PNO-CI and CEPA results of Werner and Meyer reveals that some cancellation of the third- and fourth-order correlation contributions can be expected. The second-order corrected polarizabilities are as a rule better than the results of the third-order perturbation approach. It is concluded that also for polarizabilities the low-order many-body perturbation scheme is able to account for the major portion of the relevant correlation effects.

  9. Third order mode optically pumped semiconductor laser

    NASA Astrophysics Data System (ADS)

    De Rossi, A.; Semaltianos, N.; Chirlias, E.; Vinter, B.; Ortiz, V.; Berger, V.

    2002-06-01

    Lasing action on a third order waveguide mode is demonstrated at room temperature under optical pumping, in a specifically designed quantum well laser structure. The AlGaAs heterostructure involves barriers which ensure that the third order waveguide mode has a higher overlap with the single quantum well emitter than the fundamental mode. Third order mode operation of a laser structure opens the way to modal phase matched parametric down conversion inside the semiconductor laser itself. It is a first step towards the realization of semiconductor twin photon laser sources, needed for quantum information experiments.

  10. On third order integrable vector Hamiltonian equations

    NASA Astrophysics Data System (ADS)

    Meshkov, A. G.; Sokolov, V. V.

    2017-03-01

    A complete list of third order vector Hamiltonian equations with the Hamiltonian operator Dx having an infinite series of higher conservation laws is presented. A new vector integrable equation on the sphere is found.

  11. Filter for third order phase locked loops

    NASA Technical Reports Server (NTRS)

    Crow, R. B.; Tausworthe, R. C. (Inventor)

    1973-01-01

    Filters for third-order phase-locked loops are used in receivers to acquire and track carrier signals, particularly signals subject to high doppler-rate changes in frequency. A loop filter with an open-loop transfer function and set of loop constants, setting the damping factor equal to unity are provided.

  12. 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.

  13. A pseudo third order symplectic integrator

    NASA Astrophysics Data System (ADS)

    Liu, Fu-Yao; Wu, Xin; Lu, Ben-Kui

    2005-01-01

    The symplectic integrator has been regarded as one of the optimal tools for research on qualitative secular evolution of Hamiltonian systems in solar system dynamics. An integrable and separate Hamiltonian system H = H0 + Σi=1NɛiHi (ɛi ≪ 1) forms a pseudo third order symplectic integrator, whose accuracy is approximately equal to that of the first order corrector of the Wisdom-Holman second order symplectic integrator or that of the Forest-Ruth fourth order symplectic integrator. In addition, the symplectic algorithm with force gradients is also suited to the treatment of the Hamiltonian system H = H0(q,p) + ɛH1(q), with accuracy better than that of the original symplectic integrator but not superior to that of the corresponding pseudo higher order symplectic integrator.

  14. 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.

  15. Is there a third order phase transition for supercritical fluids?

    SciTech Connect

    Zhu, Jinglong; Zhang, Pingwen; Wang, Han Site, Luigi Delle

    2014-01-07

    We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical regime beyond Andrew's critical point. This result is in open contrast with recent theoretical studies and experiments which instead suggest not only its existence but also its universality regarding the chemical nature of the fluid. We argue that our results are solid enough to go beyond the limitations of MD and the generic character of L-J models, thus suggesting a rather smooth liquid-vapor thermodynamic behavior of fluids in supercritical regime.

  16. Finite-field Calculations of Molecular Polarizabilities Using Field-Induced Polarization Functions: Second- and Third-order Perturbation Correlation Corrections to the Coupled Hartree-Fock Polarizability of H2O

    NASA Technical Reports Server (NTRS)

    Langhoff, S. R.; Scott, W. R.; Suzuki, N.; Chong, D. P.

    1979-01-01

    Ordinary Rayleigh-Schroudinger perturbation theory with Moller-Plesset (RSMP) partitioning is used to calculate second- and third-order correlation corrections to the CHF polarizability and dipole moment of the water molecule by a finite-field procedure. Pade approximants are found to be useful in accelerating the convergence of the property perturbation expansions. Field-induced polarization functions suitable for polarizability calculations are determined. The average polarizability calculated, neglecting vibrational averaging, with Dunning's (9s5p/4s-4s2p/2s) contracted GTO basis set augmented by field-induced lslp2d/lp polarization functions is within 3 per cent of the experimental result. Correlation corrections to the dipole moment and polarizability of the water molecule calculated by the finite-field RSMP and single + double excitation CI(SDCI) methods for the same basis set are found to be in close agreement. The RSMP approach has the advantages of being size-consistent and of being capable of greater efficiency than the SCDI method. Comparative calculations carried out using Epstein-Nesbet partitioning show that through third order RSEN correlation perturbation expansions for the dipole moment and polarizability are less rapidly convergent than RSMP expansions. However, reasonable accord with RSMP results can be achieved by using Pade approximants to accelerate the convergence of RSEN energy perturbation expansions. The convergence of RSMP property correlation expansions based on the zeroth-order uncoupled-Hartree-Fock (UCHF) and coupled-Hartree-Fock (CHF) approximations are compared through third order. Whereas the CHF + RSMP expansions are for practical purposes fully converged, the UCHF + RSMP expansions are not adequately converged.

  17. 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.

  18. Photoassociation dynamics driven by second- and third-order phase-modulated laser fields

    NASA Astrophysics Data System (ADS)

    Wang, Meng; Chen, Mao-Du; Hu, Xue-Jin; Li, Jing-Lun; Cong, Shu-Lin

    2016-05-01

    We investigate theoretically the photoassociation dynamics of ultracold 85Rb atoms driven by second- and third-order phase-modulated laser fields. The interplay between the second-order and third-order terms of the phase-modulated pulse has an obvious influence on photoassociation dynamics. The different combinations of the second-order and third-order phase coefficients lead to different pulse shapes. Most of the molecular population in the excited electronic state driven only by the third-order phase pulses can be distributed in a single vibrational level. The second-order term of the phase-modulated pulse can change the instantaneous frequency, and therefore the final population is distributed on several resonant vibrational levels, instead of concentrating on a single level. Although the second- and third-order phase-modulated pulse covers more resonant vibrational levels, the total population on the resonant vibrational levels is much smaller than that controlled only by the third-order phase pulse. In particular, the third-order term of the phase-modulated pulse can weaken the ‘multiple interaction’ to some degree.

  19. Cationic cyanine dyes: impact of symmetry-breaking on optical absorption and third-order polarizabilities.

    PubMed

    Yesudas, Kada

    2013-11-28

    A systematic study is carried out to find the exact crossover point from symmetric to asymmetric configurations (symmetry-breaking) in a series of cationic cyanine dyes. Hybrid density functional with varying exact-exchange admixture has been used to understand the impact of HF exchange both in the gas phase and in the presence of dielectric medium. This approach provides a basis for understanding the electronic structure and photophysical properties of cyanine dyes. The crossover points predicted using this method are in good agreement with the experiment. The SAC-CI method is used to evaluate the lowest S0 → S1 transition energies in the gas phase. These transitions are preferably dominated by the promotion of an electron from HOMO → LUMO. The average static third-order polarizabilities, [γ], are obtained within the three-state model approximation. The analysis showed that for symmetric cyanines, the calculated [γ] values are large and negative, mainly originated from the large S0 → S1 transition moments and small S0 → S1 transition energies. For asymmetric cyanines, the [γ] values are positive and mainly originate from the large change in the ground and first excited state dipole moments. However, both configurations do not include contributions from the two-photon absorption. Further, the localization of charge densities in the HOMO and LUMO indicates that the symmetric and asymmetric cyanines act as promising materials for molecular wires and molecular switches which are fundamental building blocks for molecular electronic devices.

  20. The second- and third- order nonlinear optical properties and electronic transition of a NLO chromophore: A DFT study

    NASA Astrophysics Data System (ADS)

    Altürk, Sümeyye; Avci, Davut; Tamer, Ömer; Atalay, Yusuf

    2016-03-01

    It is well known that the practical applications of second-order and third-order nonlinear optical (NLO) materials have been reported in modern technology, such as optical data processing, transmission and storage, etc. In this respect, the linear and nonlinear optical parameters (the molecular static polarizability (α), and the first-order static hyperpolarizability (β0), the second-order static hyperpolarizability (γ)), UV-vis spectra and HOMO and LUMO energies of 2-(1'-(4'''-Methoxyphenyl)-5'-(thien-2″-yl)pyrrol-2'-yl)-1,3-benzothiazole were investigated by using the HSEh1PBE/6-311G(d,p) level of density functional theory. The UV-vis spectra were simulated using TD/HSEh1PBE/6- 311G(d,p) level, and the major contributions to the electronic transitions were obtained. The molecular hardness (η) and electronegativity (χ) parameters were also obtained by using molecular frontier orbital energies. The NLO parameters of the title compound were calculated, and obtained data were compared with that of para-Nitroaniline (pNA) which is a typical NLO material and the corresponding experimental data. Obtained data of the chromosphere display significant molecular second-and third-nonlinearity.

  1. Third-order chromatic dispersion stabilizes Kerr frequency combs.

    PubMed

    Parra-Rivas, Pedro; Gomila, Damià; Leo, François; Coen, Stéphane; Gelens, Lendert

    2014-05-15

    Using numerical simulations of an extended Lugiato-Lefever equation we analyze the stability and nonlinear dynamics of Kerr frequency combs generated in microresonators and fiber resonators, taking into account third-order dispersion effects. We show that cavity solitons underlying Kerr frequency combs, normally sensitive to oscillatory and chaotic instabilities, are stabilized in a wide range of parameter space by third-order dispersion. Moreover, we demonstrate how the snaking structure organizing compound states of multiple cavity solitons is qualitatively changed by third-order dispersion, promoting an increased stability of Kerr combs underlined by a single cavity soliton.

  2. A third order Runge-Kutta algorithm on a manifold

    NASA Technical Reports Server (NTRS)

    Crouch, P. E.; Grossman, R. G.; Yan, Y.

    1992-01-01

    A third order Runge-Kutta type algorithm is described with the property that it preserves certain geometric structures. In particular, if the algorithm is initialized on a Lie group, then the resulting iterates remain on the Lie group.

  3. Third order TRANSPORT with MAD (Methodical Accelerator Design) input

    SciTech Connect

    Carey, D.C.

    1988-09-20

    This paper describes computer-aided design codes for particle accelerators. Among the topics discussed are: input beam description; parameters and algebraic expressions; the physical elements; beam lines; operations; and third-order transfer matrix. (LSP)

  4. Third order transport coefficients for electrons and positrons in gases

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    Third order transport coefficients (the skewness tensor) of the electron and positron swarms, in atomic and molecular gases, are investigated. The knowledge of the skewness tensor is necessary for the conversion of the hydrodynamic transport coefficients to the arrival time and steady-state Townsend transport data as well as for the determination of the deviations of the spatial density profiles from an ideal Gaussian. In this work, we investigate the structure and symmetries along individual elements of the skewness tensor by the group projector method. Individual components of the skewness tensor are calculated using a Monte Carlo simulation technique and multi term theory for solving the Boltzmann equation. Results obtained by these two methods are in excellent agreement. We extend previous studies by considering the sensitivity of the skewness components to explicit and implicit effects of non-conservative collisions, post-ionization energy partitioning, and inelastic collisions. The errors of the two term approximation for solving the Boltzmann equation are highlighted. We also investigate the influence of a magnetic field on the skewness tensor in varying configurations of electric and magnetic fields. Among many interesting points, we have observed a strong correlation between the skewness and diffusion.

  5. Holographic charged fluid dual to third order Lovelock gravity

    NASA Astrophysics Data System (ADS)

    Zou, De-Cheng; Zhang, Shao-Jun; Wang, Bin

    2013-04-01

    We study the dual fluid on a finite cutoff surface outside the black brane horizon in the third order Lovelock gravity. Using nonrelativistic long-wavelength expansion, we obtain the incompressible Navier-Stokes equations of dual fluid with external force density on the finite cutoff surface. The viscosity to entropy density ratio η/s is independent of the cutoff surface and does not get modification from the third order Lovelock gravity influence. The obtained ratio agrees with the results obtained by using other methods, such as the Kubo formula at the AdS boundary and the membrane paradigm at the horizon in the third order Lovelock gravity. These results can be related by Wilson renormalization group flow. However the kinematic viscosity receives correction from the third order Lovelock term. We show that the equivalence between the isentropic flow of the fluid and the radial component of the gravitational equation observed in the Einstein and Gauss-Bonnet gravities also holds in the third order Lovelock gravity. This generalization brings more understanding of relating the gravity theory to the dual fluid.

  6. 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.

  7. 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.

  8. Third-Order Family of Methods in Banach Spaces

    DTIC Science & Technology

    2011-01-24

    8. [13] J.-S. Kou , Y .-T. Li, Modified Chebyshev’s method free from second derivative for non-linear equations, Appl. Math. Comp. 187 (2007), 1027–1032...14] J.-S. Kou , Y .-T. Li, X.-H. Wang, A modification of Newton method with third-order conver- gence, Appl. Math. Comput. 181 (2006), 1106–1111. [15

  9. Third-order phase-locked loop receiver

    NASA Technical Reports Server (NTRS)

    Crow, R. B.; Tausworthe, R. C.

    1974-01-01

    Third-order extension to present second-order systems extends their Doppler tracking capabilities. It widens receiver pull-in range, decreases pull-in time, lowers voltage-controlled oscillator (VCO) noise (determining when no signal is present), and lessens susceptibility to VCO drift.

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

    NASA Astrophysics Data System (ADS)

    Mark, J. Abraham Hudson; Peter, A. John

    2014-04-01

    Third order susceptibility of third order harmonic generation is investigated in a Zn0.1Mg0.9Se/Zn0.8Mg0.2Se/Zn0.1Mg0.9Se 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.

  11. 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.

  12. 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.

  13. 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.

  14. Efficiency-enhanced third-order grating coupler.

    PubMed

    Ura, S; Fujii, T; Suhara, T; Nishihara, H

    1999-05-10

    A third-order grating coupler with a grating period 3 times that of a first-order grating is discussed in terms of efficiency enhancement. A reflection film is integrated between the optical buffer layer and the substrate beneath the grating-guiding core. The power-distribution ratio for each diffracted wave depends on the optical buffer layer's thickness because of interference effects. The thickness is determined to suppress first- and second-order diffraction and to enhance the power distribution to the output air-radiation wave generated by third-order diffraction. A demonstrator was designed and examined at a wavelength of 0.82 microm. The measured output coupling efficiency was 40%, whereas the theoretical prediction was 60%.

  15. 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.

  16. Resonance scattering at third-order exceptional points

    NASA Astrophysics Data System (ADS)

    Heiss, W. D.; Wunner, G.

    2015-08-01

    We analyze scattering cross sections at and near third-order exceptional points (EP3), i.e., points in physical parameter space where three energies and eigenfunctions coincide. At an EP3, the Green’s function contains a pole of third order, in addition to poles of second and first order. We show that the interference of the three pole terms produces a rich variety of line shapes at the exceptional point and in its neighbourhood. This is demonstrated by extending previous work on two harmonic oscillators to a system of three driven coupled damped oscillators. We also discuss the similarities and the differences in the behaviour of the amplitudes in the classical problem and the scattering cross sections in the quantum mechanical problem at the EP3.

  17. Third order equations of motion and the Ostrogradsky instability

    NASA Astrophysics Data System (ADS)

    Motohashi, Hayato; Suyama, Teruaki

    2015-04-01

    It is known that any nondegenerate Lagrangian containing time derivative terms higher than first order suffers from the Ostrogradsky instability, pathological excitation of positive and negative energy degrees of freedom. We show that, within the framework of analytical mechanics of point particles, any Lagrangian for third order equations of motion, which evades the nondegeneracy condition, still leads to the Ostrogradsky instability. Extension to the case of higher odd order equations of motion is also considered.

  18. 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.

  19. 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.

  20. Third-order nonlinear polarizabilities of a homologous series of symmetric cyanines

    NASA Astrophysics Data System (ADS)

    Johr, T.; Werncke, W.; Pfeiffer, M.; Lau, A.; Dähne, L.

    1995-12-01

    Third-order nonlinear polarizabilities of the homologous series of bis(dimethylamino)methine dyes (mono-, tri-, penta-, hepta- and non-amethine) were derived in the static frequency limit from dispersion curves measured by four-wave mixing techniques. Positive signs of the hyperpolarizabilities are obtained for mono- and trimethine: They are caused by positive contributions from δ electrons dominating the negative π electron contributions in the short chains. In the longer chains the hyperpolarizabilities exhibit negative signs and a strong enhancement (≈ - N11) with increasing chain lengths due to the growing number ( N) of contributing π electrons. A static hyperpolarizability of ≈ -1 × 10 -33 esu which is obtained for the nonamethine, is the largest off-resonant experimental value reported for a polymethine dye.

  1. 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.

  2. 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.

  3. 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.

  4. New Third-Order Moments for the PBL

    NASA Technical Reports Server (NTRS)

    Canuto, V. M.; Cheng, Y.; Howard, A.; Hansen, James E. (Technical Monitor)

    2000-01-01

    Turbulent convection is inherently non-local and a primary condition for a successful treatment of the PBL is a reliable model of non-locality. In the dynamic equations governing the convective flux, turbulent kinetic energy, etc, non-locality enters through the third-order moments, TOMs. Since the simplest form, the so-called down gradient approximation (DGA , severely underestimates the TOMs (by up to an order of magnitude), a more physical model is needed. In 1994, an analytical model was presented which was derived directly from the dynamical equations for the TOMs. It considerably improved the DGA but was a bit cumbersome to use. Here, we present a new analytic expression for the TOMs which is considerably simpler than the 1994 expression and which at the same time yields a much better fit to the LES data.

  5. 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.

  6. Optical transmission through generalized third-order Fibonacci multilayers

    NASA Astrophysics Data System (ADS)

    Hu, Xubo; Yang, Xiangbo; Liu, Songhao

    2014-06-01

    In this paper, by means of three kinds of methods we study the transmission properties of the light through the quasiperiodic multilayers vertically following the generalized third-order Fibonacci (GTOF) sequences. By means of the decomposition-substitution (DS) method we predict that the GTOF systems possess an interesting four-cycle transmissive characteristic at the central wavelength. Based on the electromagnetic wave theory, we then deduce the formulae of propagation matrices and transmission coefficients analytically at the central wavelength and obtain the numerical simulation results at the same time. The results obtained by three kinds of methods accord with each other and three kinds of methods are complementary. The cyclic transmissive characteristics may be useful for the designing of some optical memories, optical logical gates, and other optical controlling devices.

  7. Testing quantum mechanics using third-order correlations

    NASA Astrophysics Data System (ADS)

    Kinsler, Paul

    1996-04-01

    Semiclassical theories similar to stochastic electrodynamics are widely used in optics. The distinguishing feature of such theories is that the quantum uncertainty is represented by random statistical fluctuations. They can successfully predict some quantum-mechanical phenomena; for example, the squeezing of the quantum uncertainty in the parametric oscillator. However, since such theories are not equivalent to quantum mechanics, they will not always be useful. Complex number representations can be used to exactly model the quantum uncertainty, but care has to be taken that approximations do not reduce the description to a hidden variable one. This paper helps show the limitations of ``semiclassical theories,'' and helps show where a true quantum-mechanical treatment needs to be used. Third-order correlations are a test that provides a clear distinction between quantum and hidden variable theories in a way analogous to that provided by the ``all or nothing'' Greenberger-Horne-Zeilinger test of local hidden variable theories.

  8. 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.

  9. 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.

  10. 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.

  11. Effect of vorticity on second- and third-order statistics of passive scalar gradients.

    PubMed

    Gonzalez, Michel

    2002-05-01

    The influence of vorticity on second- and third-order moments of the spatial derivatives of a forced, passive scalar field has been studied in the framework of a simplified problem; the analysis is restricted to dominating rotation and molecular diffusion is represented by a linear model. The results reveal that, in the case of a passive scalar experiencing forcing in an isotropic medium, both vorticity and diffusion counteract anisotropy imposed on the scalar field. Anisotropy at the level of second-order moments appears to be destroyed essentially by the action of vorticity.

  12. Increase and saturation of the third order hyperpolarizabilities in homologous series of symmetric cyanines

    NASA Astrophysics Data System (ADS)

    Werncke, W.; Pfeiffer, M.; Johr, T.; Lau, A.; Grahn, W.; Johannes, H.-H.; Dähne, L.

    1997-04-01

    The chain length dependencies of the static third order hyperpolarizabilities γSTAT for the homologous series of benzthiacyanine dyes and of simple bis(dimethylamino)methine dyes were extrapolated from nondegenerate four wave mixing dispersion measurements and compared with theoretical values. Up to the heptamethine the π-electron contributions γSTATπ of both homologous series show a similar increase with the growing number of π-electrons ( N) of the chain ( γSTATπ ˜ - N8 ± 2). However, the absolute values of the benzthiacyanines are considerable higher than of the corresponding bis(dimethylamino)methines. Negative valued hyperpolarizabilities γSTATπ in the homologous series increasing up to γSTATπ = - 850 × 10 -36 esu were determined. For the first time a saturation of the nonlinearity could be observed experimentally in the series of benzthiacyanines for the longest chain (benzthicyanine nonamethine).

  13. 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.

  14. A theoretical study on the structural dependences of third-order optical nonlinearities of heterocycle-substituted polymethine cyanine chromophores

    NASA Astrophysics Data System (ADS)

    Wang, Chao; Yuan, Yizhong; Tian, Xiaohui; Sun, Jinyu; Shao, Hongjuan; Sun, Zhenrong

    2013-09-01

    The linear and third-order nonlinear optical properties of four polymethine cyanines (PC-1-PC-4) were investigated by UV-visible absorption spectroscopy and degenerate four-wave mixing (DFWM) technique. The second-order hyperpolarizabilities γ of the four chromophores achieve 10-31 esu. The dependence of their third-order optical nonlinearities on the molecular structure was discussed based on density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations. The calculated second-order hyperpolarizabilities γ well-reproduce the experimental trends. The results show that the third-order optical nonlinearities of the chromophores can be drastically enhanced by bulky heteroatom (such as selenium) with low electro-negativity, or extended π-conjugated terminal group.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Green synthesis and third-order nonlinear optical properties of 6-(9H-carbazol-9-yl) hexyl acetate

    NASA Astrophysics Data System (ADS)

    Chen, Baili; Geng, Feng; Luo, Xuan; Zhong, Quanjie; Zhang, Qingjun; Fang, Yu; Huang, Chuanqun; Yang, Ruizhuang; Shao, Ting; Chen, Shufan

    2016-10-01

    An extremely simple and green approach for the synthesis of photoelectric material 6-(9H-carbazol-9-yl) hexy-acetate (CHA) has been described in detail. The molecular structure of CHA was identified with Fourier transform infrared (FT-IR) spectra and 1H Nuclear Magnetic Resonance (1H NMR) spectroscopy. The optical absorption of CHA was recorded using ultraviolet-visible (UV-vis) spectrum. Notably, the reaction was accomplished in water medium instead of traditional toxic solvents (e.g., benzene and chloroform). The yield of CHA is up to 99%, which is increased by 13% compared with the traditional method. The approach developed by us makes it possible to achieve commercial production of CHA. Moreover, the thermal stability of CHA was studied with thermogravimetric (TG) and derivative thermogravimetric (DTG) method. The third-order nonlinear optical (NLO) properties of CHAn (obtained by new method) and CHAt (obtained by traditional method) have been studied by a Z-scan technique at 440 nm. The thermal decomposition temperature is above 200 °C. The third-order NLO of CHAn and CHAt are the same. The third-order NLO susceptibility χ (3) and two photon Figures of Merit (FOMs) of CHA are 1.58 × 10-8 (esu) and 4.55, respectively. The results reveal that CHA may be a promising candidate for all-optical switching application.

  20. 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.

  1. 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.

  2. Resonant-type third-order optical nonlinearity and optical bandgap in multicomponent oxide glasses.

    PubMed

    el-Diasty, Fouad; Abdel-Baki, Manal; Bakry, Assem M

    2009-05-01

    Optical nonlinearity or the nonlinear hyperpolarizability of amorphous materials (e.g., glasses) is related directly to the complex third-order susceptibility. The imaginary part of third-order susceptibility affects negatively the maximum data rate in telecommunication systems. In addition, many transition metals containing glasses have bandgaps with semiconductor-like behavior. So, due to the necessity of operation near the absorption band edge, the study of optical nonlinearity and band structure in glasses is very essential. In this work, we investigated the relationship between the imaginary third-order nonlinear susceptibility and the bandgap of some different series of prepared oxide glasses. A universal empirical formula is given to correlate the imaginary part of the third-order nonlinear susceptibility of the glasses and their optical bandgaps. The obtained nonlinearity is discussed in view of available theories and mechanisms.

  3. Resonant-type third-order optical nonlinearity and optical bandgap in multicomponent oxide glasses

    SciTech Connect

    El-Diasty, Fouad; Abdel-Baki, Manal; Bakry, Assem M.

    2009-05-01

    Optical nonlinearity or the nonlinear hyperpolarizability of amorphous materials (e.g., glasses) is related directly to the complex third-order susceptibility. The imaginary part of third-order susceptibility affects negatively the maximum data rate in telecommunication systems. In addition, many transition metals containing glasses have bandgaps with semiconductor-like behavior. So, due to the necessity of operation near the absorption band edge, the study of optical nonlinearity and band structure in glasses is very essential. In this work, we investigated the relationship between the imaginary third-order nonlinear susceptibility and the bandgap of some different series of prepared oxide glasses. A universal empirical formula is given to correlate the imaginary part of the third-order nonlinear susceptibility of the glasses and their optical bandgaps. The obtained nonlinearity is discussed in view of available theories and mechanisms.

  4. Improving signal-to-noise ratio of fetal magnetocardiograph by third order flux transformer

    NASA Astrophysics Data System (ADS)

    Bachir, Wesam; Dunajski, Zbigniew

    2003-10-01

    The application of SQUIDS and superconducting radiometers in clinical biomagnetic instrumentation for fetal magnetocardiography is presented. The paper focuses on the characteristics and performance of the third order flux transformer for fetal magnetocardiography with a good signal to noise ratio. An optimum figure of merit of the third order flux transformer was determined. The optimal signal-to-noise ratio (SNR) was used as the optimization criterion.

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

    SciTech Connect

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

    2006-08-15

    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 V{sup N-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 P IV. 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.

  6. [Study on spectral characteristics of third-order harmonic emission of plasma channels in atmosphere].

    PubMed

    Li, Hai-ning; Zhang, Li-ping; Wu, Hong; Li, Xian; Ding, Liang-en

    2008-06-01

    The authors observed the spectrum of third-order harmonic (TH) emission of the plasma channel in atmosphere by focused ultra-short laser pulses under various conditions. The authors used pulsed Ti: sapphire chirped pulse amplification (CPA) femtosecond laser system, with the central wavelength at 795 nm, repetition rate of 10 Hz, pulse duration of 30 fs and the pulse energy of 12 mJ, focused by a concave mirror with the focal length of 0.5 m, which can generate about 10(13) W x cm(-2) of power intensity. Under this condition, the dynamic balance between nonlinear Kerr self-focusing and plasma defocusing can support a long plasma channel in the interaction of the high intense laser pulses and gaseous media, and the interaction length between the laser pulse and air is greatly elongated, which is helpful to generating third-order harmonic emission. The full width at half maximum (FWHM) of the generated third-order harmonic spectrum is 15 nm with the central wavelength at 265 nm in the forward direction. The spectra of third-order harmonic emission red shift when the laser pulse is positive chirped. On the contrary, the spectra of third-order harmonic emission blue shift when the laser pulse is negative chirped. Proper dispersion can increase the intensity of third-order harmonic spectrum peak and sharped the spectrum peak. With the group velocity dispersion (GVD) of the pulses equal to +1.3 x 10(5) fs2, the peak of third-order harmonic spectrum red shifts and the group velocity dispersion of laser pulses equals to zero fs2. The experiment shows that the rising wing of pulses can obtain higher third-order harmonic conversion efficiency than the falling edge of the pulses. In addition, acoustic-optic programmable dispersive filter (AOPDF) in the laser system can control the spectrum shape of the laser. Changing the hole position of acoustic-optic programmable dispersive filter can also shift the spectrum shape of third-order harmonic emission in a certain range

  7. Third-order analysis of pseudopotential lattice Boltzmann model for multiphase flow

    NASA Astrophysics Data System (ADS)

    Huang, Rongzong; Wu, Huiying

    2016-12-01

    In this work, a third-order Chapman-Enskog analysis of the multiple-relaxation-time (MRT) pseudopotential lattice Boltzmann (LB) model for multiphase flow is performed for the first time. The leading terms on the interaction force, consisting of an anisotropic and an isotropic term, are successfully identified in the third-order macroscopic equation recovered by the lattice Boltzmann equation (LBE), and then new mathematical insights into the pseudopotential LB model are provided. For the third-order anisotropic term, numerical tests show that it can cause the stationary droplet to become out-of-round, which suggests the isotropic property of the LBE needs to be seriously considered in the pseudopotential LB model. By adopting the classical equilibrium moment or setting the so-called "magic" parameter to 1/12, the anisotropic term can be eliminated, which is found from the present third-order analysis and also validated numerically. As for the third-order isotropic term, when and only when it is considered, accurate continuum form pressure tensor can be definitely obtained, by which the predicted coexistence densities always agree well with the numerical results. Compared with this continuum form pressure tensor, the classical discrete form pressure tensor is accurate only when the isotropic term is a specific one. At last, in the framework of the present third-order analysis, a consistent scheme for third-order additional term is proposed, which can be used to independently adjust the coexistence densities and surface tension. Numerical tests are subsequently carried out to validate the present scheme.

  8. Gain control of synaptic transfer from second- to third-order neurons of cockroach ocelli

    PubMed Central

    1996-01-01

    Synaptic transmission from second- to third-order neurons of cockroach ocelli occurs in an exponentially rising part of the overall sigmoidal characteristic curve relating pre- and postsynaptic voltage. Because of the nonlinear nature of the synapse, linear responses of second-order neurons to changes in ligh intensity are half-wave rectified, i.e., the response to a decrement in light is amplified whereas that to an increment in light is compressed. Here I report that the gain of synaptic transmission from second- to third-order neurons changes by ambient light levels and by wind stimulation applied to the cerci. Transfer characteristics of the synapse were studied by simultaneous intracellular recordings of second- and third-order neurons. Potential changes were evoked in second-order neurons by a sinusoidally modulated light with various mean luminances. With a decrease in the mean luminance (a) the mean membrane potential of second-order neurons was depolarized, (b) the synapse between the second- and third-order neurons operated in a steeper range of the exponential characteristic curve, where the gain to transmit modulatory signals was higher, and (c) the gain of third-order neurons to detect a decrement in light increased. Second-order neurons were depolarized when a wind or tactile stimulus was applied to various parts of the body including the cerci. During a wind-evoked depolarization, the synapse operated in a steeper range of the characteristic curve, which resulted in an increased gain of third-order neurons to detect light decrements. I conclude that the nonlinear nature of the synapse between the second- and third-order neurons provides an opportunity for an adjustment of gain to transmit signals of intensity change. The possibility that a similar gain control occurs in other visual systems and underlies a more advanced visual function, i.e., detection of motion, is discussed. PMID:8741734

  9. Third-order electric-field-induced dipolar resonances from patterned barium-strontium-titanate thin-films

    NASA Astrophysics Data System (ADS)

    Toonen, Ryan C.; Cole, M. W.

    2012-05-01

    Using microwave reflection spectroscopy, the complex permittivities of etch defined, 240 nm thick, (Ba0.6Sr0.4)TiO3, thin films have been measured over the frequency range of (1 to 4) GHz. Anomalous electric-field-induced electro-acoustic resonances were observed and characterized as a function of extrinsic electric field magnitude, ambient temperature, and sample diameter. The real and imaginary parts of the measured permittivities were fit to frequency-dependent functions derived from the Lorentz oscillator model. From these functions, extracted static dielectric constants were found to display excellent agreement with a closed-form expression derived by calculating third-order nonlinear susceptibility from the Landau-Devonshire-Ginzberg model.

  10. 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…

  11. 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.

  12. 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.

  13. Third order effect of rotation on stellar oscillations of a β-Cephei star

    NASA Astrophysics Data System (ADS)

    Karami, K.

    2009-01-01

    Here the effect of rotation up to third order in the angular velocity of a star on the p, f and g modes is investigated. To do this, the third-order perturbation formalism presented by Soufi et al. (Astron. Astrophys. 334:911, 1998) and revised by Karami (Chin. J. Astron. Astrophys. 8:285, 2008), was used. I quantify by numerical calculations the effect of rotation on the oscillation frequencies of a uniformly rotating β-Cephei star with 12 M ⊙. For an equatorial velocity of 90 km s-1, it is found that the second- and third-order corrections for ( l, m)=(5,-4), for instance, are of order of 0.07% of the frequency for radial order n=-3 and reaches up to 0.6% for n=-20.

  14. Third-order nonlinear optical properties of thin sputtered gold films

    NASA Astrophysics Data System (ADS)

    Xenogiannopoulou, E.; Aloukos, P.; Couris, S.; Kaminska, E.; Piotrowska, A.; Dynowska, E.

    2007-07-01

    Au films of thickness ranging between 5 and 52 nm were prepared by sputtering on quartz substrates and their third-order nonlinear optical response was investigated by Optical Kerr effect (OKE) and Z-scan techniques using 532 nm, 35 ps laser pulses. All prepared films were characterized by XRD, AFM and UV-VIS-NIR spectrophotometry while their third-order susceptibility χ(3) was measured and found to be of the order of 10 -9 esu. The real and imaginary parts of the third-order susceptibility were found in very good agreement with experimental results and theoretical predictions reported by Smith et al. [D.D. Smith, Y. Yoon, R.W. Boyd, Y.K. Cambell, L.A. Baker, R.M. Crooks, M. George, J. Appl. Phys. 86 (1999) 6200].

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

    DOE PAGES

    Torres-Torres, Carlos; Perea-López, Néstor; Elías, Ana Laura; ...

    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.

  16. Mixed Convection Peristaltic Flow of Third Order Nanofluid with an Induced Magnetic Field

    PubMed Central

    Noreen, Saima

    2013-01-01

    This research is concerned with the peristaltic flow of third order nanofluid in an asymmetric channel. The governing equations of third order nanofluid are modelled in wave frame of reference. Effect of induced magnetic field is considered. Long wavelength and low Reynolds number situation is tackled. Numerical solutions of the governing problem are computed and analyzed. The effects of Brownian motion and thermophoretic diffusion of nano particles are particularly emphasized. Physical quantities such as velocity, pressure rise, temperature, induced magnetic field and concentration distributions are discussed. PMID:24260130

  17. 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.

  18. Static and dynamic contact angles of water droplet on a solid surface using molecular dynamics simulation.

    PubMed

    Hong, Seung Do; Ha, Man Yeong; Balachandar, S

    2009-11-01

    The present study investigates the variation of static contact angle of a water droplet in equilibrium with a solid surface in the absence of a body force and the dynamic contact angles of water droplet moving on a solid surface for different characteristic energies using the molecular dynamics simulation. With increasing characteristic energy, the static contact angle in equilibrium with a solid surface in the absence of a body force decreases because the hydrophobic surface changes its characteristics to the hydrophilic surface. In order to consider the effect of moving water droplet on the dynamic contact angles, we apply the constant acceleration to an individual oxygen and hydrogen atom. In the presence of a body force, the water droplet changes its shape with larger advancing contact angle than the receding angle. The dynamic contact angles are compared with the static contact angle in order to see the effect of the presence of a body force.

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

    PubMed

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

    2015-05-04

    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.

  20. Third-order many-body perturbation theory calculations for low-lying states in beryllium

    NASA Astrophysics Data System (ADS)

    Ho, Hung-Cheuk

    2005-05-01

    A detailed breakdown of many-body perturbation theory (MBPT) contributions through third order is presented for energies of the ten (2l ,l') states of beryllium. A total of 84 one-body and 578 two-body terms contribute to the third-order energy. Third-order MBPT calculations for monovalent atoms were carried out fifteen years ago by Blundell et al.[1] Second-order calculations for ions of the berylliumlike isoelectronic sequence were also reported six years later[2]. In that paper, only 4 one-body and 20 two-body terms contribute to the second-order energy of neutral Be. The agreement with experimental energies was at 5% level. Our study aims to present complete third-order MBPT formulas, and apply them to the simplest two-valence particles system beryllium to improve the agreement with experiment.^1 S.A. Blundell, W.R. Johnson and J. Sapirstein, Phys. Rev. A 42, 3751 (1990).^2 M.S. Safronova, W.R. Johnson and U.I. Safronova, Phys. Rev. A 53, 4036 (1996).

  1. An Analytical Model for the Three-Point Third-Order Velocity Correlation in Isotropic Turbulence

    NASA Astrophysics Data System (ADS)

    Chang, Henry; Moser, Robert

    2006-11-01

    In turbulent flows, the three-point third-order velocity correlation Tijk(r,r') = is an important quantity. In particular, when considering large eddy simulation, the contribution of the nonlinear terms to evolution of the two-point second-order correlation of filtered velocities can be written in terms of integrals of the three-point correlation. In contrast, the two-point third order correlation appears in the equation for the unfiltered two-point correlation, and under the Kolmogorov scaling assumptions, this is sufficient to determine it. An analytic model for the three-point third-order correlation, under the same assumptions, would be very useful in the analysis of LES. There are constraints imposed by continuity and symmetry, and in 1954, Proudman and Reid determined a general form for the Fourier transform of this correlation that satisfies the constraints. Inverse transforming to physical-space yields a form for Tijk(r,r') in terms of derivatives of a scalar function of the magnitudes of the separation vectors. Considering the simplest possible forms of the scalar function that are consistent with the known two-point third-order correlation in the Kolmogorov inertial range yields a six-dimensional space of representations. The coefficients of the representation for Tijk are then determined from DNS data to yield the proposed model.

  2. A Re-Averaged WENO Reconstruction and a Third Order CWENO Scheme for Hyperbolic Conservation Laws

    DTIC Science & Technology

    2013-08-01

    applying (L0)−1, and the time evolution of the scheme continues for the nonlinear system (56), as described above in Section 3. 6.1. Example 5, Riemann ...It is third order accurate for smooth problems. It also gives good results for non-smooth problems, including Riemann problems for the Burgers

  3. 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.

  4. Third-Order Optical Nonlinearities of Squarylium Dyes with Benzothiazole Donor Groups Measured Using the Picosecond Z-Scan Technique

    NASA Astrophysics Data System (ADS)

    Li, Zhong-Yu; Xu, Song; Chen, Zi-Hui; Zhang, Fu-Shi; Kasatani, Kazuo

    2011-08-01

    Third-order optical nonlinearities of two squarylium dyes with benzothiazole donor groups (BSQ1 and BSQ2) in chloroform solution are measured by a picosecond Z-scan technique at 532 nm. It is found that the two compounds show the saturation absorption and nonlinear self-focus refraction effect. The molecular second hyperpolarizabilities are calculated to be 7.46 × 10-31 esu and 5.01 × 10-30 esu for BSQ1 and BSQ2, respectively. The large optical nonlinearities of squarylium dyes can be attributed to their rigid and intramolecular charge transfer structure. The difference in γ values is attributed to the chloro group of benzene rings of BSQ2 and the one-photon resonance effect. It is found that the third-order nonlinear susceptibilities of two squarylium dyes are mainly determined by the real parts of χ(3), and the large optical nonlinearities of studied squarylium dyes can be attributed to the nonlinear refraction.

  5. Second-order closure PBL model with new third-order moments: Comparison with LES data

    NASA Technical Reports Server (NTRS)

    Canuto, V. M.; Minotti, F.; Ronchi, C.; Ypma, R. M.; Zeman, O.

    1994-01-01

    This paper contains two parts. In the first part, a new set of diagnostic equations is derived for the third-order moments for a buoyancy-driven flow, by exact inversion of the prognostic equations for the third-order moment equations in the stationary case. The third-order moments exhibit a universal structure: they all are a linear combination of the derivatives of all the second-order moments, bar-w(exp 2), bar-w theta, bar-theta(exp 2), and bar-q(exp 2). Each term of the sum contains a turbulent diffusivity D(sub t), which also exhibits a universal structure of the form D(sub t) = a nu(sub t) + b bar-w theta. Since the sign of the convective flux changes depending on stable or unstable stratification, D(sub t) varies according to the type of stratification. Here nu(sub t) approximately equal to wl (l is a mixing length and w is an rms velocity) represents the 'mechanical' part, while the 'buoyancy' part is represented by the convective flux bar-w theta. The quantities a and b are functions of the variable N(sub tau)(exp 2), where N(exp 2) = g alpha derivative of Theta with respect to z and tau is the turbulence time scale. The new expressions for the third-order moments generalize those of Zeman and Lumley, which were subsequently adopted by Sun and Ogura, Chen and Cotton, and Finger and Schmidt in their treatments of the convective boundary layer. In the second part, the new expressions for the third-order moments are used to solve the ensemble average equations describing a purely convective boundary laye r heated from below at a constant rate. The computed second- and third-order moments are then compared with the corresponding Large Eddy Simulation (LES) results, most of which are obtained by running a new LES code, and part of which are taken from published results. The ensemble average results compare favorably with the LES data.

  6. Molecular Engineering of Supramolecular Scaffold Coatings that Can Reduce Static Platelet Adhesion

    PubMed Central

    Kumar, Aryavarta M. S.; Sivakova, Sona; Fox, Justin D.; Green, Jennifer E.; Marchant, Roger E.; Rowan, Stuart J.

    2008-01-01

    Novel supramolecular coatings that make use of low molecular weight ditopic monomers with guanine end groups are studied using fluid tapping AFM. These molecules assemble on highly oriented pyrolytic graphite (HOPG) from aqueous solutions to form nano-sized banding structures whose sizes can be systematically tuned at the nano-scale by tailoring the molecular structure of the monomers. The nature of the self-assembly in these systems has been studied through a combination of the self-assembly of structural derivatives and molecular modeling. Furthermore, we introduce the concept of using these molecular assemblies as scaffolds to organize functional groups on the surface. As a first demonstrationof this concept, scaffold monomers that contain a monomethyl triethyleneglycol branch were used to organize these “functional” units on a HOPG surface. These supramolecular grafted assemblies have been shown to be stable in biologically-relevant environments and even have the ability to significantly reduce static platelet adhesion. PMID:18177047

  7. Investigation of Third Order Optical Nonlinearity and Reverse Saturable Absorption of Octa-alkoxy Metallophthalocyanines

    NASA Technical Reports Server (NTRS)

    Sanghadasa, Mohan; Shin, In-Seek; Barr, Thomas A.; Clark, Ronald D.; Guo, Huai-Song; Martinez, Angela; Penn, Benjamin G.

    1998-01-01

    In recent years, there has been a growing interest in the development of passive optical power limiters for the protection of the human eye and solid-state sensors from damage caused by energetic light pulses and also for other switching applications. One of the key issues involved is the search for appropriate materials that show effective reverse saturable absorption. Phthalocyanines seem to be good candidates for such applications because of their higher third order nonlinearity and the unique electronic absorption characteristics. A series of 1,4,8,11,15, 18,22,25-octa-alkoxy metallophthalocyanines containing various central metal atoms such as zinc, copper, palladium, cobalt and nickel were characterized for their third order nonlinearity and for their nonlinear absorptive properties to evaluate their suitability to function as reverse saturable absorbers.

  8. 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.

  9. Third order nonlinear optical, luminescence and electrical properties of bis glycine hydrobromide single crystals

    NASA Astrophysics Data System (ADS)

    Surekha, R.; Sagayaraj, P.; Ambujam, K.

    2014-03-01

    Optical quality bis glycine hydrobromide (BGHB) single crystal was grown by slow evaporation technique. The third order nonlinear refractive index and nonlinear absorption coefficient of the grown crystal were measured by Z-scan studies. The third order nonlinear susceptibility was found to be 9.612 × 10-4 esu which is fairly higher than the other glycine compounds. The Photoluminescence spectra reveal the emission bands for BGHB crystals. The band gap energy was calculated to be 3.1 eV. The Photoconductivity studies were employed to determine the dependence of photocurrent on the applied electric field. Negative photoconductivity was exhibited by the sample. The d.c. conductivity of the grown crystal was measured by the complex impedance analysis wherein the obtained plot in the form of semicircle finds application in Debye relaxation for materials having large dc conductivity.

  10. 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

  11. Modal theory of slow light enhanced third-order nonlinear effects in photonic crystal waveguides.

    PubMed

    Chen, Tao; Sun, Junqiang; Li, Linsen

    2012-08-27

    In this paper, we derive the couple-mode equations for third-order nonlinear effects in photonic crystal waveguides by employing the modal theory. These nonlinear interactions include self-phase modulation, cross-phase modulation and degenerate four-wave mixing. The equations similar to that in nonlinear fiber optics could be expanded and applied for third-order nonlinear processes in other periodic waveguides. Based on the equations, we systematically analyze the group-velocity dispersion, optical propagation loss, effective interaction area, slow light enhanced factor and phase mismatch for a slow light engineered silicon photonic crystal waveguide. Considering the two-photon and free-carrier absorptions, the wavelength conversion efficiencies in two low-dispersion regions are numerically simulated by utilizing finite difference method. Finally, we investigate the influence of slow light enhanced multiple four-wave-mixing process on the conversion efficiency.

  12. 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.

  13. Ultrasonic Determination of Combinations of Third-Order Elastic Constants of Small Cubic Single Crystals

    DTIC Science & Technology

    1981-05-01

    between atoms. iw 2 Several physical properties of solids result from, or depend upon, the presence of the anharmonic terms in the strain energy density...experimental techniques have been used to measure third-order elastic constants of various solids . Measurement of the dependence of the second-order...constants are measured by an ultrasonic harmonic generation technique, As an initially sinusoidal wave propagates through a solid , higher harmonics are

  14. Organometallic Compounds and Polymers with Second and Third Order Nonlinear Optical Properties

    DTIC Science & Technology

    1993-05-06

    Nonlinear Optical Properties of Inorganic Coordination Polymers . William Chiang, Mark E. Thompson, Donna Van Engen , "Organic Materials for Nonlinear...Organometallic Compounds and Polymers with Second and Third Order Nonlinear Optical Pro. -c.AUTHOR(S) 61102F 2303 All Mark E. Thompson, PI 7. PERFORMING...scale Sc -Cr $5 Fe > Co. Polar coordination polymers were prepared in which excellent polar order was found in the polyermic chains. however, the

  15. Third-order integrable difference equations generated by a pair of second-order equations

    NASA Astrophysics Data System (ADS)

    Matsukidaira, Junta; Takahashi, Daisuke

    2006-02-01

    We show that the third-order difference equations proposed by Hirota, Kimura and Yahagi are generated by a pair of second-order difference equations. In some cases, the pair of the second-order equations are equivalent to the Quispel-Robert-Thomson (QRT) system, but in the other cases, they are irrelevant to the QRT system. We also discuss an ultradiscretization of the equations.

  16. 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.

  17. Third-order aberration analysis of an off-axial optical system

    NASA Astrophysics Data System (ADS)

    Wakazono, Tsuyoshi; Yatagai, Toyohiko; Araki, Keisuke

    2016-02-01

    The aberration theory applied to co-axial optical systems is extended to off-axial systems, for which third-order aberration coefficients are considered. The derived aberrations are analyzed using three-dimensional ray bundles, spot diagrams, and image charts, and classified in relation to the system symmetry. This theory is very useful for optical designers, allowing them to clarify the relationship between the structures of off-axial optical systems and the corresponding off-axial aberrations.

  18. Third-order coma-free point in two-mirror telescopes by a vector approach.

    PubMed

    Ren, Baichuan; Jin, Guang; Zhong, Xing

    2011-07-20

    In this paper, two-mirror telescopes having the secondary mirror decentered and/or tilted are considered. Equations for third-order coma are derived by a vector approach. Coma-free condition to remove misalignment-induced coma was obtained. The coma-free point in two-mirror telescopes is found as a conclusion of our coma-free condition, which is in better agreement with the result solved by Wilson using Schiefspiegler theory.

  19. Third-order leader-following consensus with circumstance noise under impulsive and switching control

    NASA Astrophysics Data System (ADS)

    Sun, Mei; Han, Dun; Li, Dandan; Jia, Qiang; Wang, Yaqi

    2014-02-01

    This research is aimed at investigating the leader-follower problem of third-order multi-agent with noise perturbation over fixed network under impulsive and switching control. Based on stochastic differential equation theory and hybrid control theory, effective impulsive and switching controllers are proposed, and the sufficient conditions for reaching multi-agent leader-following consensus are acquired. Numerical simulations verify the validity of the theoretical research results.

  20. 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.

  1. Nonlinear Viscoelastic Analysis of Orthotropic Beams Using a General Third-Order Theory

    DTIC Science & Technology

    2012-06-20

    continuous functions for all the primary variables, thus simplifying the implementation . A two-point recur- rence scheme is developed such that history from...Keywords: Finite element model Spectral/hp approximations General third-order beam theory Viscoelastic behavior von Kármán nonlinearity a b s t r a c t...The fully discretized finite element equations are obtained by approximating the convolution integrals using a trapezoidal rule. A two-point recurrence

  2. Detection of Fatty Acids from Intact Microorganisms by Molecular Beam Static Secondary Ion Mass Spectrometry

    SciTech Connect

    Ingram, Jani Cheri; Lehman, Richard Michael; Bauer, William Francis; O'Connell, Sean Patrick; Colwell, Frederick Scott; Shaw, Andrew D.

    2003-06-01

    We report the use of a surface analysis approach, static secondary ion mass spectrometry (SIMS) equipped with a molecular (ReO4-) ion primary beam, to analyze the surface of intact microbial cells. SIMS spectra of 28 microorganisms were compared to fatty acid profiles determined by gas chromatographic analysis of transesterfied fatty acids extracted from the same organisms. The results indicate that surface bombardment using the molecular primary beam cleaved the ester linkage characteristic of bacteria at the glycerophosphate backbone of the phospholipid components of the cell membrane. This cleavage enables direct detection of the fatty acid conjugate base of intact microorganisms by static SIMS. The limit of detection for this approach is approximately 107 bacterial cells/cm2. Multivariate statistical methods were applied in a graded approach to the SIMS microbial data. The results showed that the full data set could initially be statistically grouped based upon major differences in biochemical composition of the cell wall. The gram-positive bacteria were further statistically analyzed, followed by final analysis of a specific bacterial genus that was successfully grouped by species. Additionally, the use of SIMS to detect microbes on mineral surfaces is demonstrated by an analysis of Shewanella oneidensis on crushed hematite. The results of this study provide evidence for the potential of static SIMS to rapidly detect bacterial species based on ion fragments originating from cell membrane lipids directly from sample surfaces.

  3. 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.

  4. Tuned longitudinal surface plasmon resonance and third-order nonlinear optical properties of gold nanorods.

    PubMed

    Tsutsui, Yushi; Hayakawa, Tomokatsu; Kawamura, Go; Nogami, Masayuki

    2011-07-08

    In order to elucidate the relationship for third-order nonlinear optical properties of anisotropic metal nanoparticles between the incident laser wavelength and surface plasmon resonance (SPR) wavelength, gold nanorods (GNRs) with a tuned longitudinal SPR mode in frequency were prepared by seed-mediated methods with two different surfactants, cetyltrimethylammonium bromide (CTAB) and benzyldimethylammonium chloride (BDAC). The real and imaginary parts of the third-order nonlinear optical susceptibilities χ(3) were examined by near-infrared (800 nm) femtosecond Z-scan and I-scan techniques for various gold sols with SPR wavelengths of 530 nm (spheres), 800 nm (nanorods) and 1000 nm (nanorods), named as 530GNSs, 800GNRs and 1000GNRs, respectively. All the samples showed intrinsically third-order nonlinear optical refractive responses. However, as for the real part of χ(3) for one particle, 800GNRs whose plasmon peak was tuned to the incident laser wavelength exhibited a Reχ(3) value 45 times stronger than 530GNSs. More interestingly, the imaginary part of χ(3) was more greatly influenced at the tuned SPR wavelength. Here we first demonstrate that 800GNRs showed plasmon-enhanced saturable absorption (SA) due to a longitudinal SPR tuned to the incident laser wavelength.

  5. 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.

  6. 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.

  7. 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.

  8. An extended molecular statics algorithm simulating the electromechanical continuum response of ferroelectric materials

    NASA Astrophysics Data System (ADS)

    Endres, F.; Steinmann, P.

    2014-12-01

    Molecular dynamics (MD) simulations of ferroelectric materials have improved tremendously over the last few decades. Specifically, the core-shell model has been commonly used for the simulation of ferroelectric materials such as barium titanate. However, due to the computational costs of MD, the calculation of ferroelectric hysteresis behaviour, and especially the stress-strain relation, has been a computationally intense task. In this work a molecular statics algorithm, similar to a finite element method for nonlinear trusses, has been implemented. From this, an algorithm to calculate the stress dependent continuum deformation of a discrete particle system, such as a ferroelectric crystal, has been devised. Molecular statics algorithms for the atomistic simulation of ferroelectric materials have been previously described. However, in contrast to the prior literature the algorithm proposed in this work is also capable of effectively computing the macroscopic ferroelectric butterfly hysteresis behaviour. Therefore the advocated algorithm is able to calculate the piezoelectric effect as well as the converse piezoelectric effect simultaneously on atomistic and continuum length scales. Barium titanate has been simulated using the core-shell model to validate the developed algorithm.

  9. 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.

  10. Third-Order Electric-Field-Induced Dipolar Resonances from Patterned Barium-Strontium-Titanate Thin-Films

    NASA Astrophysics Data System (ADS)

    Toonen, Ryan; Will Cole, Melanie; Ivill, Mathew; Hirsch, S.; Integrated Electromagnetic Materials Team Team

    2013-03-01

    Using microwave reflection spectroscopy, the complex permittivities of etch-defined, 240 nm thick, [Ba(0.6)Sr(0.4)]TiO(3), thin films were measured over the frequency range of (1 to 4) GHz. The observed electro-acoustic resonances were characterized as a function of extrinsic electric field magnitude, ambient temperature, and sample diameter. The real and imaginary parts of the measured permittivities were fit to frequency-dependent functions derived from the Lorentz oscillator model. From these functions, extracted static dielectric constants were found to display excellent agreement with a closed-form expression derived by calculating third-order nonlinear susceptibility from the Landau-Devonshire-Ginzberg model [R. C. Toonen and M. W. Cole, Appl. Phys. Lett. 100, 222908 (2012)]. By investigating the behavior of these loss mechanisms in response to external stimuli, we have gained insight with respect to how such effects can be reduced or even eliminated. It is also possible that these loss mechanisms could be exploited for the purpose of engineering micro-/nano-electro-mechanical resonators and super-compact high-quality-factor frequency-selective filters. Funding for these efforts was provided by an award from the ARL Director's Research Initiative (FY10-WMR-27).

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

    PubMed

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

    2015-05-07

    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

  12. 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.

  13. 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.

  14. Enhanced dynamical response of derivative controlled third order phase locked loops

    NASA Astrophysics Data System (ADS)

    Chakraborty, S.; Sarkar, B. C.

    2016-07-01

    Dynamical responses of third order phase locked loops with resonant filters are examined by modifying the control signal applied to loop oscillator. Using signals obtained at some internal nodes of loop resonant filter, the control signal is modified. These signals are effectively single or double derivatives of normal control signal. Performances of modified loops are found to improve during transient and tracking modes of loop operation. This is established through analytical, numerical simulation and experimental studies. The dynamics of the loops in unstable self-oscillatory and aperiodic oscillating modes could also be controlled by these additional derivative control signals.

  15. 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.

  16. Large third-order nonlinear optical response of conjugated copolymers consisting of fluorene and carbazole units

    NASA Astrophysics Data System (ADS)

    Zhan, Xiaowei; Liu, Yunqi; Zhu, Daoben; Liu, Xuchun; Xu, Gang; Ye, Peixian

    2002-08-01

    Off-resonant third-order nonlinear optical properties using degenerate four-wave mixing measurements in solution at 1064 nm have been studied for novel π-conjugated, processible, optically transparent and thermally stable copolymers constituted of carbazole and fluorene. The second-order hyperpolarizability γ1111 per repeat unit of the polymer containing alkyne segment (Cz-PFE) is as high as 6.5×10 -31 esu. The large nonlinearity of Cz-PFE is attributed to its rigid planar and intrachain charge transfer structure.

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

    NASA Astrophysics Data System (ADS)

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

    2014-01-01

    The third-order nonlinear optical properties of newly synthesized phenylhydrazone derivatives and the influence of noble metal nanoparticles (Ag & 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 10-13esu. The results are encouraging and conclude that the materials are promising candidate for future optical device applications.

  18. Spectral methods for some singularly perturbed third order ordinary differential equations

    NASA Astrophysics Data System (ADS)

    Temsah, R.

    2008-01-01

    Spectral methods with interface point are presented to deal with some singularly perturbed third order boundary value problems of reaction-diffusion and convection-diffusion types. First, linear equations are considered and then non-linear equations. To solve non-linear equations, Newton?s method of quasi-linearization is applied. The problem is reduced to two systems of ordinary differential equations. And, then, each system is solved using spectral collocation methods. Our numerical experiments show that the proposed methods are produce highly accurate solutions in little computer time when compared with the other methods available in the literature.

  19. X-ray plane-wave diffraction effects in a crystal with third-order nonlinearity

    NASA Astrophysics Data System (ADS)

    Balyan, M. K.

    2016-12-01

    The two-wave dynamical diffraction in the Laue geometry has been theoretically considered for a plane X-ray wave in a crystal with a third-order nonlinear response to the external field. An analytical solution to the problem stated is found for certain diffraction conditions. A nonlinear pendulum effect is analyzed. The nonlinear extinction length is found to depend on the incident-wave intensity. A pendulum effect of a new type is revealed: the intensities of the transmitted and diffracted waves periodically depend on the incidentwave intensity at a fixed crystal thickness. The rocking curves and Borrmann nonlinear effect are numerically calculated.

  20. 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.

  1. Third-order nonlinearities and optical limiting properties of complex Co 2L 3

    NASA Astrophysics Data System (ADS)

    Guo, Sheng-Li; Li, Tie-Pan; Wang, Tie-Bang; Liu, Zhao-Sen; Cao, Tian-De

    2007-01-01

    With nanosecond pulses at a wavelength of 532 nm, we investigated the third-order optical nonlinearities of a dinuclear Co(II) triple-helical complex Co 2L 3 {L = bis[4-(2-pyridyl-methyleneamino) phenyl] methane} by a Z-scan technique. The optical limiting properties are measured by a transmission technique. The experimental data are theoretically fitted; the mechanism for the optical nonlinearities and the optical limiting properties is discussed. The absorption cross-sections of the ground state and the excited states are evaluated by a rate equation model.

  2. 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.

  3. Third-order elastic constants of diamond determined from experimental data

    DOE PAGES

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

    2016-06-01

    The pressure derivatives of the second-order elastic constants (SOECs) of diamond were determined by analyzing previous sound velocity measurements under hydrostatic stress [McSkimin and Andreatch, J. Appl. Phys. 43, 294 (1972)]. Furthermore, our analysis corrects an error in the previously reported results.We present a complete and corrected set of third-order elastic constants (TOECs) using the corrected pressure derivatives, together with published data for the nonlinear elastic response of shock compressed diamond [Lang and Gupta, Phys. Rev. Lett. 106, 125502 (2011)] and it differs significantly from TOECs published previously.

  4. Retention and transport of nutrients in a third-order stream in northwestern California; hyporheic processes

    USGS Publications Warehouse

    Triska, F.J.; Kennedy, V.C.; Avanzino, R.J.; Zellweger, G.W.; Bencala, K.E.

    1989-01-01

    Chloride and nitrate were coinjected into the surface waters of a third-order stream for 20 d to exmaine solute retention, and the fate of nitrate during subsurface transport. A series of wells (shallow pits) 0.5-10 m from the adjacent channel were sampled to estimate the lateral interflow of water. Two subsurface return flows beneath the wetted channel were also examined. Results indicated that the capacity of the hyporheic zone for transient solute storage and as potential biological habitat varies with channel morphology, bed roughness, and permeability. A conceptual model that considers the groundwater-stream water interface as the fluvial boundary is proposed. -from Authors

  5. Determination of Equilibrium Constant and Relative Brightness in Fluorescence Correlation Spectroscopy by Considering Third-Order Correlations.

    PubMed

    Wu, Zhenqin; Bi, Huimin; Pan, Sichen; Meng, Lingyi; Zhao, Xin Sheng

    2016-11-17

    Fluorescence correlation spectroscopy (FCS) is a powerful tool to investigate molecular diffusion and relaxations, which may be utilized to study many problems such as molecular size and aggregation, chemical reaction, molecular transportation and motion, and various kinds of physical and chemical relaxations. This article focuses on a problem related to using the relaxation term to study a reaction. If two species with different fluorescence photon emission efficiencies are connected by a reaction, the kinetic and equilibrium properties will be manifested in the relaxation term of the FCS curve. However, the conventional FCS alone cannot simultaneously determine the equilibrium constant (K) and the relative fluorescence brightness (Q), both of which are indispensable in the extraction of thermodynamic and kinetic information from the experimental data. To circumvent the problem, an assumption of Q = 0 is often made for the weak fluorescent species, which may lead to numerous errors when the actual situation is not the case. We propose to combine the third-order FCS with the conventional second-order FCS to determine K and Q without invoking other resources. The strategy and formalism are verified by computer simulations and demonstrated in a classical example of the hairpin DNA-folding process.

  6. Effect of high molecular weight plasticizers on the gelatinization of starch under static and shear conditions.

    PubMed

    Taghizadeh, Ata; Favis, Basil D

    2013-02-15

    Starch gelatinization in the presence of high molecular weight polyol plasticizers and water was studied under static and dynamic conditions and was compared to a glycerol reference. For static gelatinization, glycerol, sorbitol, diglycerol and polyglycerol were examined using polarized light microscopy and differential scanning calorimetry. A wide range of starch/water/plasticizer compositions were prepared to explore the gelatinization regime for each plasticizer. The plasticizers show that the onset and conclusion temperatures for sorbitol and glycerol are in the same range and are lower than the other two plasticizers. On the other hand, polyglycerol shows a higher gelatinization temperature than diglycerol because of its higher molecular weight and viscosity. The results indicate that in the case of all plasticizers, increasing the water content tends to decrease the gelatinization temperature and, except for polyglycerol, increasing the plasticizer content increases the gelatinization temperature. In the case of polyglycerol, however, increasing the plasticizer content had the opposite effect and this was found to be related to the borderline solubility of polyglycerol in water. When the polyglycerol/water solubility was increased by increasing the temperature of the water/plasticizer/starch slurry, the gelatinization temperature dependence was found to be similar to the other polyols. A rheological technique was developed to study the dynamic gelatinization process by tracking the influence of shear on the complex viscosity in a couette flow system. Glycerol, diglycerol and sorbitol were subjected to different dynamic gelatinization treatments and the results were compared with static gelatinization. It is quantitatively shown that shear has a major effect on the gelatinization process. The conclusion temperature of gelatinization is significantly diminished (up to 21 °C) in the presence of shear whereas the onset temperature of gelatinization remains

  7. Static and animated molecular views of a tumorigenic chemical bound to DNA

    SciTech Connect

    Broyde, S.; Xu, Rong ); Hingerty, B.E. ); O'Handley, S.F.; Krugh, T.R. . Dept. of Chemistry)

    1991-01-01

    Static and dynamic molecular views of a short segment of DNA modified by the tumorigenic aromatic amine 2-acetylaminofluorene (AAF) have been realized by a combination of high resolution nuclear magnetic resonance (NMR) studies in solution and molecular mechanics and molecular dynamics simulations carried out on supercomputers. Thus, the effect of AAF on the structure of the Watson-Crick B-DNA double helix has been elucidated, after two decades of intense interest, via a powerful synergy between state-of-the-art supercomputing NMR investigations. The AAF is situated in the minor groove of a B-DNA double helix which flexes and bends, and the carcinogen moves between positions where it is stacked with adjacent DNA base and positions where it protrudes further into the groove. The AAF modified DNA base, guanine, is displaced from its normal situation paired with partner cytosine. Also, a base pair adjacent to the modification becomes more mobile. These molecular views offer some possible insight on the early molecular events that may implicate AAF in tumor initiation. 16 refs., 3 figs.

  8. Top eigenvalue of a random matrix: large deviations and third order phase transition

    NASA Astrophysics Data System (ADS)

    Majumdar, Satya N.; Schehr, Grégory

    2014-01-01

    We study the fluctuations of the largest eigenvalue λmax of N × N random matrices in the limit of large N. The main focus is on Gaussian β ensembles, including in particular the Gaussian orthogonal (β = 1), unitary (β = 2) and symplectic (β = 4) ensembles. The probability density function (PDF) of λmax consists, for large N, of a central part described by Tracy-Widom distributions flanked, on both sides, by two large deviation tails. While the central part characterizes the typical fluctuations of λmax—of order {O}(N^{-2/3}) —the large deviation tails are instead associated with extremely rare fluctuations—of order {O}(1). Here we review some recent developments in the theory of these extremely rare events using a Coulomb gas approach. We discuss in particular the third order phase transition which separates the left tail from the right tail, a transition akin to the so-called Gross-Witten-Wadia phase transition found in 2-d lattice quantum chromodynamics. We also discuss the occurrence of similar third order transitions in various physical problems, including non-intersecting Brownian motions, conductance fluctuations in mesoscopic physics and entanglement in a bipartite system.

  9. 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.

  10. Extraction of depth profiles of third-order elastic constants in cracked media

    NASA Astrophysics Data System (ADS)

    Rjelka, Marek; Koehler, Bernd; Mayer, Andreas

    2017-02-01

    Elastic constants of components are usually determined by tensile tests in combination with ultrasonic experiments. However, these properties may change due to e.g. mechanical treatments or service conditions during their lifetime. Knowledge of the actual material parameters is key to the determination of quantities like residual stresses present in the medium. In this work the acoustic nonlinearity parameter (ANP) for surface acoustic waves is examined through the derivation of an evolution equation for the amplitude of the second harmonic. Given a certain depth profile of the third-order elastic constants, the dependence of the ANP with respect to the input frequency is determined and on the basis of these results, an appropriate inversion method is developed. This method is intended for the extraction of the depth dependence of the third-order elastic constants of the material from second-harmonic generation and guided wave mixing experiments, assuming that the change in the linear Rayleigh wave velocity is small. The latter assumption is supported by a 3D-FEM model study of a medium with randomly distributed micro-cracks as well as theoretical works on this topic in the literature.

  11. 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.

  12. Investigation on third order nonlinear optical, electrical and surface properties of organic stilbazolium crystal of 4-N,N-dimethylamino-N‧-methylstilbazolium p-methoxybenzenesulfonate

    NASA Astrophysics Data System (ADS)

    Antony Raj, A.; Gunaseelan, R.; Sagayaraj, P.

    2014-12-01

    The third order nonlinear optical, electric and dielectric properties of an organic stilbazolium derivative of 4-N,N-dimethylamino-N‧-methylstilbazolium p-methoxybenzenesulfonate (DSMOS) crystal are reported. The nonlinear refractive index (n2), two photon absorption coefficient (β) and third order optical susceptibility χ(3) have been measured by Z-scan technique using Gaussian beam from the Nd:YAG laser at 1064 nm. The results show a large negative nonlinear refractive index (n2 = -1.122 × 10-9 cm2/W) with a molecular two photon absorption coefficient β value of 3.625 × 10-6 cm/W. The low dielectric constant observed in the high frequency region indicates the suitability of the sample for electro-optic applications. The surface features are also investigated by atomic force microscopy (AFM).

  13. Theoretical third-order hyperpolarizability of paratellurite from the finite field perturbation method.

    PubMed

    Yahia, Mouna Ben; Orhan, Emmanuelle; Beltrán, Armando; Masson, Olivier; Merle-Méjean, Thérèse; Mirgorodski, Andreï; Thomas, Philippe

    2008-09-04

    Density functional theory was used to estimate the third-order hypersusceptibility chi (3) of the alpha-TeO2 paratellurite (as a model structure for TeO2 glass) and the same value for alpha-SiO2 cristobalite (as a model structure for glassy silica). The attempt was made to gain a physical insight into the nature of the extraordinarily high hypersusceptibility of TeO2 glass. A finite field perturbation method implemented in the CRYSTAL code with the "sawtooth" approach was employed. The chi (3) values calculated for alpha-TeO2 were found to be of the same order as that measured for TeO2 glass and much higher than the values computed for alpha-SiO2 which, in turn, were close to that of glassy silica.

  14. 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

  15. 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.

  16. Oscillation quenching in third order phase locked loop coupled by mean field diffusive coupling

    NASA Astrophysics Data System (ADS)

    Chakraborty, S.; Dandapathak, M.; Sarkar, B. C.

    2016-11-01

    We explored analytically the oscillation quenching phenomena (amplitude death and parameter dependent inhomogeneous steady state) in a coupled third order phase locked loop (PLL) both in periodic and chaotic mode. The phase locked loops were coupled through mean field diffusive coupling. The lower and upper limits of the quenched state were identified in the parameter space of the coupled PLL using the Routh-Hurwitz technique. We further observed that the ability of convergence to the quenched state of coupled PLLs depends on the design parameters. For identical systems, both the systems converge to the homogeneous steady state, whereas for non-identical parameter values they converge to an inhomogeneous steady state. It was also observed that for identical systems, the quenched state is wider than the non-identical case. When the system parameters are so chosen that each isolated loop is chaotic in nature, we observe narrowing down of the quenched state. All these phenomena were also demonstrated through numerical simulations.

  17. Oscillation quenching in third order phase locked loop coupled by mean field diffusive coupling.

    PubMed

    Chakraborty, S; Dandapathak, M; Sarkar, B C

    2016-11-01

    We explored analytically the oscillation quenching phenomena (amplitude death and parameter dependent inhomogeneous steady state) in a coupled third order phase locked loop (PLL) both in periodic and chaotic mode. The phase locked loops were coupled through mean field diffusive coupling. The lower and upper limits of the quenched state were identified in the parameter space of the coupled PLL using the Routh-Hurwitz technique. We further observed that the ability of convergence to the quenched state of coupled PLLs depends on the design parameters. For identical systems, both the systems converge to the homogeneous steady state, whereas for non-identical parameter values they converge to an inhomogeneous steady state. It was also observed that for identical systems, the quenched state is wider than the non-identical case. When the system parameters are so chosen that each isolated loop is chaotic in nature, we observe narrowing down of the quenched state. All these phenomena were also demonstrated through numerical simulations.

  18. 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.

  19. 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.

  20. Third-order voltage-mode active-C band pass filter

    NASA Astrophysics Data System (ADS)

    Ranjan, Ashish; Ghosh, Mourina; Paul, Sajal K.

    2015-05-01

    In this research article, a new third-order voltage-mode active-C asymmetrical band pass filter is proposed. It uses three numbers of current-controlled current conveyors and three numbers of equal-valued capacitors. The topology has the following important features: uses only three active elements, uses three capacitors, uses all grounded capacitors and no resistor is suitable for integrated circuit design, there is no matching constraint, high input impedance, low output impedance, central frequency can easily be electronically controlled by bias current, and frequency response is asymmetrical in nature. The application of the proposed topology in the realisation of a voltage-mode sixth-order symmetrical band pass filter has been demonstrated. The workability of the proposed topology and sixth-order filter has been confirmed by simulation results using 0.35-µm Austria Micro Systems complementary metal oxide semiconductor technology.

  1. Third-order nonlinear optical response in quantum dot-metal nanoparticle hybrid structures

    NASA Astrophysics Data System (ADS)

    Liu, X. N.; Yao, D. Z.; Zhou, H. M.; Chen, F.; Xiong, G. G.

    2013-12-01

    Third-order nonlinear optical response of a semiconductor quantum dot, modulated by the metal nanoparticle (MNP), has been studied by using the effective mass and the rotating wave approximation. Considering multiple effects in the local and nonlocal optical response of the MNP, the dependence of the dispersion and the absorption on the size of the hybrid system are investigated in detail. By controlling the geometrical parameters of the hybrid structure and the direction of the electric field polarization, a significant enhancement of the nonlinear response is shown. The enhancement factor is nearly two orders of the magnitude, which is consistent with the experiment. Compared to the results obtained with the local effect, the center frequency shows blueshift obviously in the case of the nonlocal effect. In particular, the presence of the MNP leads to a strong absorption band appearance, which promises applications in the field of light transmission and the optical switching.

  2. Direct Object Recognition Using No Higher Than Second or Third Order Statistics of the Image.

    DTIC Science & Technology

    1995-02-01

    i(N 0 2;1 +N 0 0;3) = ei[(N3;0 + N1;2) i(N2;1 + N0;3)] eiI21 (13) where Npq and N 0 rs are respective third order moments of the normalized...perturbation L: Lij X r;s (ijrs 0 rs + ij rs m 0 rs ) (47) where ; are coecients that are exclusively com- posed of the components ~A0ij , ~m0rs...hand side, that are composed of coecient epq ’s,frs’s, and elements of U 0 , and pij in the right hand side. Solving for equation (62) we get: cos

  3. The use of a squid third order spatial gradiometer to measure magnetic fields of the brain.

    PubMed

    Weinberg, H; Brickett, P A; Vrba, J; Fife, A A; Burbank, M B

    1984-01-01

    It appears to be clear from the results that the third order gradiometer is able to detect small biomagnetic signals from the brain which are related to evoked potentials and spontaneous electrical activity. The instrument operates reasonably well within a noisy environment, however further development is necessary to balance the first gradient. We intend to pursue this direction with software systems. Some of the data presented suggest that components of MEG evoked activity may change independently of EEG. One interpretation which may derive from this is that the same current dipoles are probably not responsible for the entire configuration of evoked fields. This interpretation is consistent with EEG evidence which indicates that analogous components in the evoked potential may vary independently as a function of stimulus parameters and information processing. Perhaps a model of magnetic dipoles due to small current loops would be more compatible with the electrophysiological data.

  4. 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.

  5. 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.

  6. Hopf bifurcation and chaos in a third-order phase-locked loop

    NASA Astrophysics Data System (ADS)

    Piqueira, José Roberto C.

    2017-01-01

    Phase-locked loops (PLLs) are devices able to recover time signals in several engineering applications. The literature regarding their dynamical behavior is vast, specifically considering that the process of synchronization between the input signal, coming from a remote source, and the PLL local oscillation is robust. For high-frequency applications it is usual to increase the PLL order by increasing the order of the internal filter, for guarantying good transient responses; however local parameter variations imply structural instability, thus provoking a Hopf bifurcation and a route to chaos for the phase error. Here, one usual architecture for a third-order PLL is studied and a range of permitted parameters is derived, providing a rule of thumb for designers. Out of this range, a Hopf bifurcation appears and, by increasing parameters, the periodic solution originated by the Hopf bifurcation degenerates into a chaotic attractor, therefore, preventing synchronization.

  7. 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.

  8. 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.

  9. Third-Order Doppler Parameter Estimation of Bistatic Forward-Looking SAR Based on Modified Cubic Phase Function

    NASA Astrophysics Data System (ADS)

    Li, Wenchao; Yang, Jianyu; Huang, Yulin; Kong, Lingjiang

    For Doppler parameter estimation of forward-looking SAR, the third-order Doppler parameter can not be neglected. In this paper, the azimuth signal of the transmitter fixed bistatic forward-looking SAR is modeled as a cubic polynomial phase signal (CPPS) and multiple time-overlapped CPPSs, and the modified cubic phase function is presented to estimate the third-order Doppler parameter. By combining the cubic phase function (CPF) with Radon transform, the method can give an accurate estimation of the third-order Doppler parameter. Simulations validate the effectiveness of the algorithm.

  10. 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.

  11. Static fracture resistance of ultra high molecular weight polyethylene using the single specimen normalization method

    PubMed Central

    Varadarajan, R.; Dapp, E.K.; Rimnac, C.M.

    2013-01-01

    Fracture of Ultra High Molecular Weight Polyethylene (UHMWPE) components used in total joint replacements is a clinical concern. UHMWPE materials exhibits stable crack growth under static loading, therefore, their fracture resistance is generally characterized using the J-R curve. The multiple specimen method recommended by ASTM for evaluation of the J-R curve for polymers is time and material intensive. In this study, the applicability of a single specimen method based on load normalization to predict J-R curves of UHMWPE materials is evaluated. The normalization method involves determination of a deformation function. In this study, the J-R curves obtained using a power law based deformation function and the LMN curve based deformation function were compared. The results support the use of the power law based deformation function when using the single specimen approach to predict J-R curves for UHMWPE materials. PMID:23390325

  12. Static fracture resistance of ultra high molecular weight polyethylene using the single specimen normalization method.

    PubMed

    Varadarajan, R; Dapp, E K; Rimnac, C M

    2008-04-01

    Fracture of Ultra High Molecular Weight Polyethylene (UHMWPE) components used in total joint replacements is a clinical concern. UHMWPE materials exhibits stable crack growth under static loading, therefore, their fracture resistance is generally characterized using the J-R curve. The multiple specimen method recommended by ASTM for evaluation of the J-R curve for polymers is time and material intensive. In this study, the applicability of a single specimen method based on load normalization to predict J-R curves of UHMWPE materials is evaluated. The normalization method involves determination of a deformation function. In this study, the J-R curves obtained using a power law based deformation function and the LMN curve based deformation function were compared. The results support the use of the power law based deformation function when using the single specimen approach to predict J-R curves for UHMWPE materials.

  13. 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.

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

    PubMed

    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

    2015-10-14

    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(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.

  15. Surface-plasmon enhanced ultrafast third-order optical nonlinearities in ellipsoidal gold nanoparticles embedded bismuthate glasses

    NASA Astrophysics Data System (ADS)

    Chen, Feifei; Dai, Shixun; Xu, Tiefeng; Shen, Xiang; Lin, Changgui; Nie, Qiuhua; Liu, Chao; Heo, Jong

    2011-09-01

    Ellipsoidal gold nanoparticles embedded bismuthate glasses have been prepared via a facile melt-annealing approach. Femtosecond Z-scan measurement shows that the nanocomposites exhibit a maximum third-order nonlinear susceptibility χ(3) of 4.88 × 10-10 esu at 800 nm, which is two orders higher than that of the host glass. Optical Kerr shutter measurement demonstrates ultrafast response time (in scale of sub-picosecond) of the intraband transition enhanced third-order nonlinearities.

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

    NASA Astrophysics Data System (ADS)

    Šprlák, Michal; Novák, Pavel

    2017-02-01

    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.

  17. Molecular Modeling of Three Phase Contact for Static and Dynamic Contact Angle Phenomena

    NASA Astrophysics Data System (ADS)

    Malani, Ateeque; Amat, Miguel; Raghavanpillai, Anilkumar; Wysong, Ernest; Rutledge, Gregory

    2012-02-01

    Interfacial phenomena arise in a number of industrially important situations, such as repellency of liquids on surfaces, condensation, etc. In designing materials for such applications, the key component is their wetting behavior, which is characterized by three-phase static and dynamic contact angle phenomena. Molecular modeling has the potential to provide basic insight into the detailed picture of the three-phase contact line resolved on the sub-nanometer scale which is essential for the success of these materials. We have proposed a computational strategy to study three-phase contact phenomena, where buoyancy of a solid rod or particle is studied in a planar liquid film. The contact angle is readily evaluated by measuring the position of solid and liquid interfaces. As proof of concept, the methodology has been validated extensively using a simple Lennard-Jones (LJ) fluid in contact with an LJ surface. In the dynamic contact angle analysis, the evolution of contact angle as a function of force applied to the rod or particle is characterized by the pinning and slipping of the three phase contact line. Ultimately, complete wetting or de-wetting is observed, allowing molecular level characterization of the contact angle hysteresis.

  18. Third-order nonlinear optical properties and structures of (E)-N-(4-nitrobenzylidene)-2,6-dimethylaniline and (E)-N-(4-nitrobenzylidene)-2,3-dimethylaniline.

    PubMed

    Karakas, Asli; Unver, Hüseyin

    2010-05-01

    (E)-N-(4-Nitrobenzylidene)-2,6-dimethylaniline (1) and (E)-N-(4-nitrobenzylidene)-2,3-dimethylaniline (2) have been synthesized. The crystal structures of both compounds have been defined by X-ray diffraction analysis. The maximum one-photon absorption (OPA) wavelengths recorded by quantum mechanical computations using a configuration interaction (CI) method are estimated in the UV region to be shorter than 450nm, showing good optical transparency to the visible light. To provide an insight into the microscopic third-order nonlinear optical (NLO) properties of the investigated molecules, both dispersion-free (static) and also frequency-dependent (dynamic) linear polarizabilities (alpha) and second hyperpolarizabilities (gamma) at lambda=825-1125nm and 1050-1600nm wavelength areas have been computed using time-dependent Hartree-Fock (TDHF) method. According to the ab initio calculation results, the title molecules exhibit second hyperpolarizabilities with non-zero values, implying microscopic third-order NLO behavior.

  19. Third-order nonlinear optical properties of acid green 25 dye by Z-scan method

    NASA Astrophysics Data System (ADS)

    Jeyaram, S.; Geethakrishnan, T.

    2017-03-01

    Third-order nonlinear optical (NLO) properties of aqueous solutions of an anthraquinone dye (Acid green 25 dye, color index: 61570) have been studied by Z-scan method with a 5 mW continuous wave (CW) diode laser operating at 635 nm. The nonlinear refractive index (n2) and the absorption coefficient (β) have been evaluated respectively from the closed and open aperture Z-scan data and the values of these parameters are found to increase with increase in concentration of the dye solution. The negative sign of the observed nonlinear refractive index (n2) indicates that the aqueous solution of acid green 25 dye exhibits self-defocusing type optical nonlinearity. The mechanism of the observed nonlinear absorption (NLA) and nonlinear refraction (NLR) is attributed respectively to reverse saturable absorption (RSA) and thermal nonlinear effects. The magnitudes of n2 and β are found to be of the order of 10-7 cm2/W and 10-3 cm/W respectively. With these experimental results, the authors suggest that acid green 25 dye may have potential applications in nonlinear optics.

  20. Temperature dependence of third-order elastic constants of potassium manganese fluoride

    NASA Astrophysics Data System (ADS)

    Cao, Wenwu; Barsch, Gerhard R.; Jiang, Wenhua; Breazeale, Mack A.

    1988-11-01

    The nonlinearity parameters along the three principal symmetry directions have been measured for KMnF3 from 298 to 350 K by means of acoustic second-harmonic generation. In conjunction with our earlier data on the temperature dependence of the pressure derivatives of the elastic constants, the complete set of the six third-order elastic (TOE) constants has been determined in this temperature range. For c111, c123, and c166 the temperature dependence is linear, suggesting that the effect of the improper ferroelastic transition at 186 K is no longer present above 300 K. This permits us to eliminate the effects of zero-point and thermal motion and of the structural phase transition by linear extrapolation of the data to absolute zero temperature. The bare TOE constants thus obtained differ significantly from the room-temperature values. The bare (and the room-temperature) values exhibit large deviations from the Cauchy relations, indicating significant contributions from many-body forces.

  1. Third-order nonlinear optical response in transparent solids using ultrashort laser pulses

    NASA Astrophysics Data System (ADS)

    Dota, K.; Dharmadhikari, J. A.; Mathur, D.; Dharmadhikari, A. K.

    2012-06-01

    The third-order optical nonlinearity, χ (3), is measured in transparent glasses (BK7 and fused silica) and crystals (BaF2 and quartz) using 36-fs, 800-nm laser pulses and the optical Kerr gate (OKE) technique; values are found to lie in the range 1.3-1.7×10-14 esu, in accordance with theoretical estimates. We probe the purely electronic response to the incident ultrashort laser pulse in fused silica and BK7 glass. In BaF2 and quartz, apart from the electronic response we also observe contribution from the nuclear response to the incident ultrashort pulses. We observe oscillatory modulations that persist for ˜400 fs. The response of the media (glasses and crystals) to ultrashort pulses is also measured using two-beam self-diffraction; the diffraction efficiency in the first-order grating is measured to be in the range of 0.06-0.13 %. Third harmonic generation due to self-phase matching in the transient grating geometry is measured as a function of temporal delay between the two incident ultrashort pulses, yielding the autocorrelation signal.

  2. Kinetics of third-order nonlinear optical susceptibilities in alkynyl ruthenium complexes

    NASA Astrophysics Data System (ADS)

    Migalska-Zalas, A.; Luc, J.; Sahraoui, B.; Kityk, I. V.

    2006-07-01

    Kinetics of third-order optical susceptibilities obtained for a new series of alkynyl ruthenium complexes was investigated in using pump-dependent transmission experiment and the degenerate four-wave mixing (DFWM) technique. We investigate electron rich σ-acetylide ruthenium complexes in which the d-transition metal is incorporated in the same plane as the π-system of formyl alkynyl ligands. The obtained results show that the presence of a bilaterally ligands leads to substantial increase of the χ<3>. The maximally achieved third optical susceptibility was χ<3> = 0.9 × 10 -20 m 2 V -2 at λ = 0.53 μm for chloroform solution concentration 0.4 mol l -1. The value of second-order optical hyperpolarizabilities γ for the investigated compounds were four orders of magnitude larger compared to the known values of CS 2. The quasi-periodic relaxation time kinetics of the DFWM with period about 7 ns was found after switching off the pumping beams. Such kinetics of the DFWM is explained by tunnelling between the occupied d-transition metal levels and electron-phonon trapping levels after interruption of the pumping signals.

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

    PubMed Central

    Dandapat, Samarendra

    2015-01-01

    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

  4. Large enhancement of third-order nonlinear effects with a resonant all-dielectric metasurface

    NASA Astrophysics Data System (ADS)

    Jafar-Zanjani, Samad; Cheng, Jierong; Liberman, Vladimir; Chou, Jeffrey B.; Mosallaei, Hossein

    2016-11-01

    A novel low-profile nonlinear metasurface, consisting of a single-layer of all-dielectric material, is proposed and numerically investigated by a nonlinear full-wave finite-difference time-domain (FDTD) method. The proposed metasurface is transparent for low, and opaque for high values of incident light intensity. The metasurface design is broadly applicable to enhancement of intrinsic nonlinearities of any material with a sufficiently high refractive index contrast. We illustrate the ability of this design to enhance intrinsic nonlinear absorption of a transition metal oxide, vanadium pentoxide (V2O5), with resonant metasurface elements. The complex third-order nonlinear susceptibility (χ(3 )) for V2O5, representing both nonlinear refraction and absorption is considered in FDTD simulations. Our design achieves high initial transparency (>90%) for low incident light intensity. An order of magnitude decrease in the required input light intensity threshold for nonlinear response of the metasurface is observed in comparison with an unpatterend film. The proposed all-dielectric metasurface in this work is ultrathin and easy to fabricate. We envision a number of applications of this design for thin film coatings that offer protection against high-power laser radiation.

  5. Ultrafast third-order optical nonlinearities of heavy metal oxide glasses containing gold nanoparticles

    NASA Astrophysics Data System (ADS)

    Almeida, Juliana M. P.; da Silva, Diego S.; Kassab, Luciana R. P.; Zilio, Sergio C.; Mendonça, Cleber R.; De Boni, Leonardo

    2014-02-01

    This work reports on the third-order nonlinear properties and the response time of GeO2-Bi2O3 glass, as well as the effect of gold nanoparticles on these properties. The nonlinear refractive index spectrum and the nonlinear absorption coefficient were determined by the Z-scan technique, and the response time was obtained through Kerr gate measurements, using femtosecond pulses. The results show that the presence of gold nanoparticles causes a saturable absorption effect that is overcome by the two-photon absorption process at higher light intensities, for wavelengths within the plasmon band. We measured a constant value for the nonlinear refractive index (n2) for the visible and infrared regions, which was not affected by the presence of gold nanoparticles in the sample. However, the n2 value is one order of magnitude higher than the one for fused silica and 1.5 times better than PGO (PbO-GeO2) glasses. In addition, the response time of the induced birefringence for the samples with and without gold nanoparticles is faster than the pulse duration (220 fs), indicating an ultra-fast electronic process.

  6. Third-order optical nonlinearity studies of bilayer Au/Ag metallic films

    NASA Astrophysics Data System (ADS)

    Mezher, M. H.; Chong, W. Y.; Zakaria, R.

    2016-05-01

    This paper presents nonlinear optical studies of bilayer metallic films of gold (Au) and silver (Ag) on glass substrate prepared using electron beam evaporation. The preparation of Au and Ag nanoparticles (NPs) on the substrate involved the use of electron beam deposition, then thermal annealing at 600 °C and 270 °C, respectively, to produce a randomly distributed layer of Au and a layer of Ag NPs. Observation of field-effect scanning electron microscope images indicated the size of the NPs. Details of the optical properties related to peak absorption of surface plasmon resonance of the nanoparticle were revealed by use of UV-Vis spectroscopy. The Z-scan technique was used to measure the nonlinear absorption and nonlinear refraction of the fabricated NP layers. The third-order nonlinear refractive index coefficients for Au and Ag are (-9.34 and  -1.61)  ×  10-11 cm2 W-1 given lower n 2, in comparison with bilayer (Au and Ag) NPs at  -1.24  ×  10-10 cm2 W-1. The results show bilayer NPs have higher refractive index coefficients thus enhance the nonlinearity effects.

  7. Baseline-free estimation of residual fatigue life using a third order acoustic nonlinear parameter.

    PubMed

    Amura, Mikael; Meo, Michele; Amerini, F

    2011-10-01

    Prediction of crack growth and fatigue life estimation of metals using linear/nonlinear acousto-ultrasound methods is an ongoing issue. It is known that by measuring nonlinear parameters, the relative accumulated fatigue damage can be evaluated. However, there is still a need to measure two crack propagation states to assess the absolute residual fatigue life. A procedure based on the measurement of a third-order acoustic nonlinear parameter is presented to assess the residual fatigue life of a metallic component without the need of a baseline. The analytical evaluation of how the cubic nonlinear-parameter evolves during crack propagation is presented by combining the Paris law to the Nazarov-Sutin crack equation. Unlike other developed models, the proposed model assumes a crack surface topology with variable geometrical parameters. Measurements of the cubic nonlinearity parameter on AA2024-T351 specimens demonstrated high sensitivity to crack propagation and excellent agreement with the predicted theoretical behavior. The advantages of using the cubic nonlinearity parameter for fatigue cracks on metals are discussed by comparing the relevant results of a quadratic nonlinear parameter. Then the methodology to estimate crack size and residual fatigue life without the need of a baseline is presented, and advantages and limitations are discussed.

  8. 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.

  9. Spectrally resolved bioluminescence tomography with the third-order simplified spherical harmonics approximation

    NASA Astrophysics Data System (ADS)

    Lu, Yujie; Douraghy, Ali; Machado, Hidevaldo B.; Stout, David; Tian, Jie; Herschman, Harvey; Chatziioannou, Arion F.

    2009-11-01

    Bioluminescence imaging has been extensively applied to in vivo small animal imaging. Quantitative three-dimensional bioluminescent source information obtained by using bioluminescence tomography can directly and much more accurately reflect biological changes as opposed to planar bioluminescence imaging. Preliminary simulated and experimental reconstruction results demonstrate the feasibility and promise of bioluminescence tomography. However, the use of multiple approximations, particularly the diffusion approximation theory, affects the quality of in vivo small animal-based image reconstructions. In the development of new reconstruction algorithms, high-order approximation models of the radiative transfer equation and spectrally resolved data introduce new challenges to the reconstruction algorithm and speed. In this paper, an SP3-based (the third-order simplified spherical harmonics approximation) spectrally resolved reconstruction algorithm is proposed. The simple linear relationship between the unknown source distribution and the spectrally resolved data is established in this algorithm. A parallel version of this algorithm is realized, making BLT reconstruction feasible for the whole body of small animals especially for fine spatial domain discretization. In simulation validations, the proposed algorithm shows improved reconstruction quality compared with diffusion approximation-based methods when high absorption, superficial sources and detection modes are considered. In addition, comparisons between fine and coarse mesh-based BLT reconstructions show the effects of numerical errors in reconstruction image quality. Finally, BLT reconstructions using in vivo mouse experiments further demonstrate the potential and effectiveness of the SP3-based reconstruction algorithm.

  10. Decoupling of the Dirac equation correct to the third order for the magnetic perturbation.

    PubMed

    Ootani, Y; Maeda, H; Fukui, H

    2007-08-28

    A two-component relativistic theory accurately decoupling the positive and negative states of the Dirac Hamiltonian that includes magnetic perturbations is derived. The derived theory eliminates all of the odd terms originating from the nuclear attraction potential V and the first-order odd terms originating from the magnetic vector potential A, which connect the positive states to the negative states. The electronic energy obtained by the decoupling is correct to the third order with respect to A due to the (2n+1) rule. The decoupling is exact for the magnetic shielding calculation. However, the calculation of the diamagnetic property requires both the positive and negative states of the unperturbed (A=0) Hamiltonian. The derived theory is applied to the relativistic calculation of nuclear magnetic shielding tensors of HX (X=F,Cl,Br,I) systems at the Hartree-Fock level. The results indicate that such a substantially exact decoupling calculation well reproduces the four-component Dirac-Hartree-Fock results.

  11. An all-optical switch and third-order optical nonlinearity of 3,4-pyridinediamine

    NASA Astrophysics Data System (ADS)

    Badran, Hussain A.; Abul-Hail, Riyadh Ch.; Shaker, Hussain S.; musa, Abdulameer I.; Hassan, Qusay M. A.

    2017-01-01

    We investigated the third-order nonlinear optical properties of 3,4-pyridinediamine solution. The nonlinear measurements were taken by using single-beam Z-scan technique with cw laser at 473 nm. The effect of varying glucose concentration in a sample solution has been studied. The experimental results show that the nonlinear refractive index, n 2, and nonlinear absorption coefficient, β, are strongly dependent on the glucose concentration in a sample solution. The optical limiting properties are measured by a transmission technique. We find that the limiting threshold can be improved by a proper choice of glucose concentration in sample solution. A 3,4-pyridinediamine with 80 mmol glucose concentration showed a good switching property. This phenomenon was demonstrated by waveguiding a transistor-transistor logic modulated cw 473 nm laser beam as an excitation beam modulated at 10 Hz frequency collinearly with a continuous-wave SDL-635-100T laser beam of wavelength 653 nm through a quartz cuvette of thickness 1 mm. The results of pump-probe experiments show that the time of switch-on and switch-off of the 3,4-pyridinediamine was in μs for the pump intensity. The energy-dependent transmission studies also reveal better limiting property of the sample compound at nanosecond regime. Also, thermo-optic coefficients have been determined by thermal lens (TL) technique (-9.54 × 10-5 K-1) and it was found to be temperature dependent. This value was compared with result obtained by Z-scan calculations (-7.46 × 10-5 K-1). Thus, the nonlinear response of the material suggests that it has a potential application for high-sensitive photonic devices.

  12. 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.

  13. Static dielectric properties of polarizable ion models: molecular dynamics study of molten AgI and NaI.

    PubMed

    Bitrián, Vicente; Alcaraz, Olga; Trullàs, Joaquim

    2009-06-21

    The fluctuation-dissipation theorem for the static dielectric response function of systems of ions with inducible point dipoles is derived. It is shown that the static longitudinal dielectric function is determined by spatial correlations of both charge and dipole-moment density fluctuations. Moreover, it is deduced that the long-wavelength behavior of the charge structure factor for polarizable ion systems is different from that for systems of rigid ions. Molecular dynamics simulation results of rigid and polarizable ion models for molten AgI and NaI are reported.

  14. Static and dynamical properties of heavy water at ambient conditions from first-principles molecular dynamics

    NASA Astrophysics Data System (ADS)

    Sit, P. H.-L.; Marzari, Nicola

    2005-05-01

    The static and dynamical properties of heavy water have been studied at ambient conditions with extensive Car-Parrinello molecular-dynamics simulations in the canonical ensemble, with temperatures ranging between 325 and 400K. Density-functional theory, paired with a modern exchange-correlation functional (Perdew-Burke-Ernzerhof), provides an excellent agreement for the structural properties and binding energy of the water monomer and dimer. On the other hand, the structural and dynamical properties of the bulk liquid show a clear enhancement of the local structure compared to experimental results; a distinctive transition to liquidlike diffusion occurs in the simulations only at the elevated temperature of 400K. Extensive runs of up to 50ps are needed to obtain well-converged thermal averages; the use of ultrasoft or norm-conserving pseudopotentials and the larger plane-wave sets associated with the latter choice had, as expected, only negligible effects on the final result. Finite-size effects in the liquid state are found to be mostly negligible for systems as small as 32molecules per unit cell.

  15. Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties

    SciTech Connect

    Woon, D.E.; Dunning, T.H. Jr. )

    1994-02-15

    An accurate description of the electrical properties of atoms and molecules is critical for quantitative predictions of the nonlinear properties of molecules and of long-range atomic and molecular interactions between both neutral and charged species. We report a systematic study of the basis sets required to obtain accurate correlated values for the static dipole ([alpha][sub 1]), quadrupole ([alpha][sub 2]), and octopole ([alpha][sub 3]) polarizabilities and the hyperpolarizability ([gamma]) of the rare gas atoms He, Ne, and Ar. Several methods of correlation treatment were examined, including various orders of Moller--Plesset perturbation theory (MP2, MP3, MP4), coupled-cluster theory with and without perturbative treatment of triple excitations [CCSD, CCSD(T)], and singles and doubles configuration interaction (CISD). All of the basis sets considered here were constructed by adding even-tempered sets of diffuse functions to the correlation consistent basis sets of Dunning and co-workers. With multiply-augmented sets we find that the electrical properties of the rare gas atoms converge smoothly to values that are in excellent agreement with the available experimental data and/or previously computed results. As a further test of the basis sets presented here, the dipole polarizabilities of the F[sup [minus

  16. 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.

  17. The effect of doping acid on the third-order nonlinearity of carboxymethyl cellulose by the Z-scan technique

    NASA Astrophysics Data System (ADS)

    Jafari, A.; Naderali, R.; Motiei, H.

    2017-02-01

    The studies on the third-order nonlinear optical properties of carboxymethyl cellulose nanocomposite in the absence and presence of inorganic acid as a dopant was reported. The Z-scan technique was used to measure the nonlinear refraction n2, and absorption β, indexes and the third-order nonlinear susceptibility χ3. Characterization of this nanocomposite was performed by using scanning electron microscopy and Ultraviolet-Visible absorption spectroscopy in two different solvents; Dimethylformamide and N-Methylpyrrolidone. Additionally X-ray diffraction was used to study their crystal structure. The measured values of the nonlinear refraction of each sample in both of the solutions were in the order of 10-9m2/w and the corresponding third-order nonlinear susceptibilities were in the order 10-4 esu.

  18. Low-cost, large-scale, and facile production of Si nanowires exhibiting enhanced third-order optical nonlinearity.

    PubMed

    Huang, Zhipeng; Wang, Ruxue; Jia, Ding; Maoying, Li; Humphrey, Mark G; Zhang, Chi

    2012-03-01

    A facile method for the low-cost and large-scale production of silicon nanowires has been developed. Silicon powders were subjected to sequential metal plating and metal-assisted chemical etching, resulting in well-defined silicon nanowires. The morphology and structure of the silicon nanowires were investigated, revealing that single-crystal silicon nanowires with average diameters of 79 ± 35 nm and length more than 10 μm can be fabricated. The silicon nanowires show excellent third-order nonlinear optical properties, with a third-order susceptibility much larger than that of bulk silicon, porous silicon, and silicon nanocrystals embedded in SiO(2).

  19. 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.

  20. Experimental test of Born's rule by inspecting third-order quantum interference on a single spin in solids

    NASA Astrophysics Data System (ADS)

    Jin, Fangzhou; Liu, Ying; Geng, Jianpei; Huang, Pu; Ma, Wenchao; Shi, Mingjun; Duan, Chang-Kui; Shi, Fazhan; Rong, Xing; Du, Jiangfeng

    2017-01-01

    As a fundamental postulate of quantum mechanics, Born's rule assigns probabilities to the measurement outcomes of quantum systems and excludes multiorder quantum interference. Here we report an experiment on a single spin in diamond to test Born's rule by inspecting the third-order quantum interference. The ratio of the third-order quantum interference to the second order in our experiment is bounded to the scale of 1 ×10-3 , which provides a stringent constraint on the potential breakdown of Born's rule.

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

    SciTech Connect

    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.

  2. 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.

  3. 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.

  4. Third-order dispersion compensation for petawatt-level lasers employing object-image-grating self-tiling

    SciTech Connect

    Zhaoyang Li; Yuxin Leng; Daxing Rao; Lei Chen; Yaping Dai

    2015-10-31

    A method is proposed for third-order dispersion compensation in compressors of femtosecond petawatt laser facilities employing object-image-grating self-tiling technology to prevent the return of the laser beam in amplifying chains. Simulations are performed for functioning and being developed Nd : glass and Ti : sapphire petawatt-level lasers. (control of radiation parameters)

  5. 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.

  6. Effect of the crystalline environment on the third-order nonlinear optical properties of L-arginine phosphate monohydrate: a theoretical study.

    PubMed

    Valverde, Clodoaldo; Rodrigues, Rosemberg F N; Machado, Daniel F S; Baseia, Basílio; de Oliveira, Heibbe C B

    2017-04-01

    A supermolecular approach combined with an iterative electrostatic scheme was employed to investigate the nonlinear optical properties of the hybrid L-arginine phosphate monohydrate crystal, the procedure being aided by DFT calculations. The supermolecular scheme basically treated the molecules surrounding the unit cell as point charges; this approximation results in rapid convergence, making it a feasible method. DFT functionals of different flavors were considered: B3LYP, B2PLYP, CAM-B3LYP, ωB97, and M06HF, utilizing the 6-311 + G(d) basis set. All functionals gave sufficiently accurate values for the dipole moment (μ) with respect to the experimental value 32(2) D. For the average linear polarizability ([Formula: see text]) and the total first hyperpolarizability (β tot), good agreement was observed between the DFT-calculated values and MP2-derived results reported in the literature. For the second hyperpolarizability, both static and dynamic regimes were considered. The point-charge embedding approach led to an attenuation of the second hyperpolarizability γ for all frequencies considered. Excitations of γ were not observed for frequencies smaller than 0.1 a.u. For the second hyperpolarizability (both static and dynamic), computational results showed that L-arginine phosphate monohydrate exhibits a large nonlinear optical effect, which implies the occurrence of microscopic third-order NLO behavior.

  7. Nonlinear optical properties of bacteriorhodopsin: assignment of the third-order polarizability based on two-photon absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Birge, Robert R.; Masthay, M. B.; Stuart, Jeffrey A.; Tallent, Jack R.; Zhang, Chian-Fan

    1991-06-01

    The third-order (pi) -electron polarizability, (gamma) (pi), of bacteriorhodopsin in the 0.0 - 1.2 eV optical region is assigned based on an analysis of the experimental two-photon properties of the low-lying singlet state manifold. The following selected values of (gamma) (pi) (units of 10-36 esu) are observed: (gamma) (0;0,0,0) equals 2482 +/- 327; (gamma) (-3(omega) ;(omega) ,(omega) ,(omega) ) equals 2976 +/- 385 ((omega) equals 0.25 eV), 5867 +/- 704 ((omega) = 0.5 eV), 14863 +/- 1614 ((omega) = 0.66 eV), 15817 +/- 2314 ((omega) equals 1.0 eV), 10755 +/- 1733 ((omega) equals 1.17 eV). The third-order polarizability of this protein which contains an all-trans retinyl protonated Schiff base chromophore with six double bonds, is comparable to that observed for much longer chain polyenes (for example, dodecapreno (beta) -carotene, a polyene with 19 double bonds, exhibits a third-order (pi) -electron polarizability at 0.66 eV of 17000 +/- 6000 X 10-36 esu. The authors attribute the enhanced third-order nonlinearity associated with the protein bound chromophore of bacteriorhodopsin to two mutually enhancing origins. First, the chromophore is protonated, and the resultant charge reorganization enhances the polarizability in a fashion that is similar to that known to occur for polaronic and bipolaronic chromophores. It is estimated that protonation generates a five-fold enhancement in (gamma) (pi). Second, the protein bound chromophore exhibits a large change in dipole moment upon excitation into the lowest-lying, strongly-allowed 1B*u+-like state ((Delta) (mu) = 13.5 D). The latter property is responsible for a Type III enhancement of the third-order polarizability, and yields at least a 20-fold increase in (gamma) (pi).

  8. 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.

  9. 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.

  10. 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.

  11. Identifying Differences and Similarities in Static and Dynamic Contact Angles between Nanoscale and Microscale Textured Surfaces Using Molecular Dynamics Simulations.

    PubMed

    Slovin, Mitchell R; Shirts, Michael R

    2015-07-28

    We quantify some of the effects of patterned nanoscale surface texture on static contact angles, dynamic contact angles, and dynamic contact angle hysteresis using molecular dynamics simulations of a moving Lennard-Jones droplet in contact with a solid surface. We observe static contact angles that change with the introduction of surface texture in a manner consistent with theoretical and experimental expectations. However, we find that the introduction of nanoscale surface texture at the length scale of 5-10 times the fluid particle size does not affect dynamic contact angle hysteresis even though it changes both the advancing and receding contact angles significantly. This result differs significantly from microscale experimental results where dynamic contact angle hysteresis decreases with the addition of surface texture due to an increase in the receding contact angle. Instead, we find that molecular-kinetic theory, previously applied only to nonpatterned surfaces, accurately describes dynamic contact angle and dynamic contact angle hysteresis behavior as a function of terminal fluid velocity. Therefore, at length scales of tens of nanometers, the kinetic phenomena such as contact line pinning observed at larger scales become insignificant in comparison to the effects of molecular fluctuations for moving droplets, even though the static properties are essentially scale-invariant. These findings may have implications for the design of highly hierarchical structures with particular wetting properties. We also find that quantitatively determining the trends observed in this article requires the careful selection of system and analysis parameters in order to achieve sufficient accuracy and precision in calculated contact angles. Therefore, we provide a detailed description of our two-surface, circular-fit approach to calculating static and dynamic contact angles on surfaces with nanoscale texturing.

  12. 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.

  13. Development of a Robust Static Punch Experiment for Screening Unprocessed Ultra-High Molecular Weight Polyethylene (UHMWPE) Unidirectional Cross-Ply Material

    DTIC Science & Technology

    2014-09-01

    Development of a Robust Static Punch Experiment for Screening Unprocessed Ultra-High Molecular Weight Polyethylene (UHMWPE) Unidirectional...Screening Unprocessed Ultra-High Molecular Weight Polyethylene (UHMWPE) Unidirectional Cross-Ply Material David Gray, Robert Kaste, and Paul...Unprocessed Ultra-High Molecular Weight Polyethylene (UHMWPE) Unidirectional Cross-Ply Material 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM

  14. Nonresonant third-order nonlinear optical susceptibility of CdS clusters encapsulated in zeolite A and X

    NASA Astrophysics Data System (ADS)

    Sugimoto, Noriaki; Koiwai, Akihiko; Hyodo, Shi-aki; Hioki, Tatsumi; Noda, Shoji

    1995-02-01

    Nonresonant third-order harmonic generation from CdS clusters encapsulated in zeolite A and X was observed at a fundamental wavelength of 1900 nm. To avoid scattering from the surfaces of the small zeolite crystals, the powder samples were dispersed in a liquid with nearly the same refractive index as that of the samples. The third-order optical susceptibilities of CdS-encapsulated zeolite A and X estimated from the intensity of their Maker fringe patterns were 4.1×10-12 and 1.1×10-11 esu, respectively. These values were slightly smaller than those reported for the 1.5 nm surface-capped CdS cluster. The hyperpolarizabilities of CdS clusters encapsulated in zeolite A and X were estimated by assuming the Lorentz local field to be in the range of 380-480×10-36 and 270-390×10-36 esu, respectively.

  15. 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.

  16. Third-order harmonic expansion of the magnetoencephalography forward and inverse problems in an ellipsoidal brain model.

    PubMed

    Alcocer-Sosa, Mauricio; Gutiérrez, David

    2016-06-25

    We present a forward modeling solution in the form of an array response kernel for magnetoencephalography. We consider the case when the brain's anatomy is approximated by an ellipsoid and an equivalent current dipole model is used to approximate brain sources. The proposed solution includes the contributions up to the third-order ellipsoidal harmonic terms; hence, we compare this new approximation against the previously available one that only considered up to second-order harmonics. We evaluated the proposed solution when used in the inverse problem of estimating physiologically feasible visual evoked responses from magnetoencephalography data. Our results showed that the contribution of the third-order harmonic terms provides a more realistic representation of the magnetic fields (closer to those generated with a numerical approximation based on the boundary element method) and, subsecuently, the estimated equivalent current dipoles are a better fit to those observed in practice (e.g., in visual evoked potentials). Copyright © 2016 John Wiley & Sons, Ltd.

  17. Giant third-order nonlinearity from low-loss electrochemical graphene oxide film with a high power stability

    NASA Astrophysics Data System (ADS)

    Ren, Jun; Zheng, Xiaorui; Tian, Zhiming; Li, Dan; Wang, Pu; Jia, Baohua

    2016-11-01

    Giant third-order nonlinear absorption and refraction of electrochemical graphene oxide (EGO) film were investigated in the femtosecond regime using the single beam Z-scan technique. The excellent chemical stability of the EGO film under high-power illumination up to 400 mJ/cm2 is demonstrated, which can be attributed to the low oxidation degree revealed by the optical and Raman spectroscopies. High and broadband linear transmission over 70% has been observed from the visible to the infrared range. The low-loss EGO film with giant third-order nonlinearity, excellent chemical stability, large-scale preparation and flexible integration has a great potential for high-power nonlinear optical applications.

  18. 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.

  19. The Synthesis and Evaluation of Third-Order Optical Nonlinearities of Model Compounds Containing Benzothiazole, Benzimidazole and Benzoxazole Moieties.

    DTIC Science & Technology

    1991-02-01

    AD-A235 622 WL-TR-91-4015 THE SYNTHESIS AND EVALUATION OF THIRD-ORDER OPTICAL NONLINEARITIES OF MODEL COMPOUNDS CONTAINING BENZOTHIAZOLE ...Nonlinearities of Model Compounds Containing Benzothiazole , Benzimidazole, and Benzoxazole Moieties 12 PERSONAL AUTHOR(S) Bruce A. Reinhardt, Marilyn R...necessary and identify by block number) FIELD GROUP SUB-GROUP nonlinear optical properties benzothiazole u/ 03 degenerate four-wave mixing benzimidazole 21

  20. Large and ultrafast third-order optical nonlinearity of novel copolymers containing fluorene and tetraphenyldiaminobiphenyl units in backbones

    NASA Astrophysics Data System (ADS)

    Huang, Wentao; Wang, Shufeng; Yang, Hong; Gong, Qihuang; Zhan, Xiaowei; Liu, Yunqi; Zhu, Daoben

    2001-12-01

    A femtosecond time-resolved optical Kerr gate method, using 115 fs laser pulses at 830 nm, has been applied to investigate the third-order nonlinearity of two novel copolymers containing fluorene and tetraphenyldiaminobiphenyl units in their backbones. Ultrafast off-resonant optical Kerr responses have been observed and the magnitude of the second-order hyperpolarizability was measured as large as 10 -30 esu. The origin of the extraordinary large value was explored and compared to other organic materials.

  1. Linear and third-order nonlinear optical responses of multilayered Ag:Si3N4 nanocomposites.

    PubMed

    Toudert, J; Fernandez, H; Babonneau, D; Camelio, S; Girardeau, T; Solis, J

    2009-11-25

    The linear and third-order nonlinear responses of tailored Si3N4/Ag/Si3N4 trilayers and (Si3N4/Ag)n/Si3N4 multilayers grown by alternating ion-beam sputtering have been studied by combining complementary characterization techniques such as transmission electron microscopy, spectroscopic ellipsometry and degenerate four-wave mixing. The linear optical response dominated by the surface plasmon resonance of Ag nanoparticles has been measured over the whole visible range while the third-order nonlinear susceptibility has been probed at the surface plasmon resonance wavelength. Due to the weak in-plane interaction between Ag nanoparticles, the linear and nonlinear optical responses of the Si3N4/Ag/Si3N4 trilayers are mainly influenced by the size and shape of the nanoparticles. A maximum value of 1.1 x 10(-7) esu has been found at 635 nm for the effective third-order nonlinear susceptibility of the trilayer with the highest amount of silver. The linear optical response of the (Si3N4/Ag)n/Si3N4 multilayers is shown to be dominated by the surface plasmon resonance of isolated layers of weakly interacting nanoparticles at wavelengths shorter than 600 nm whereas a contribution due to vertical interactions has been shown for higher wavelengths. Below the vertical percolation threshold, their nonlinear optical response at the surface plasmon resonance wavelength is similar to the one of an isolated assembly of nanoparticles, and the effective third-order nonlinear susceptibility is slightly increased by decreasing the thickness of the Si3N4 spacer.

  2. A Study of Second and Third Order Models for the Tracking Subsystem of a Radar Guided Missile

    DTIC Science & Technology

    1988-06-01

    method is optimum in a search for an "ideal" missile. Target parameters which have an effect on the missile tracking system are analyzed and a target... system are analyzed and a target acceleration probability model is discussed. A two dimensional third order tracking model is simulated utilizing a Kalman...50 A. TACTICS FOR MISSILE DEFENSE ......... .. 53 IV. SYSTEM MODEL ...... ................. 56 A. COORDINATE SYSTEM

  3. A numerical method for solving one nonlocal boundary value problem for a third-order hyperbolic equation

    NASA Astrophysics Data System (ADS)

    Beshtokov, M. Kh.

    2014-09-01

    A nonlocal boundary value problem for a third-order hyperbolic equation with variable coefficients is considered in the one- and multidimensional cases. A priori estimates for the nonlocal problem are obtained in the differential and difference formulations. The estimates imply the stability of the solution with respect to the initial data and the right-hand side on a layer and the convergence of the difference solution to the solution of the differential problem.

  4. 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.

  5. Self-assembled multilayer films containing 1,8,15,22-tetrakis (8-quinolineoxy-5-sulfonic acid)-phthalocyanine copper: Preparation, and third order nonlinear optical properties

    NASA Astrophysics Data System (ADS)

    He, Chunying; Fan, Jingze; Li, Zhongguo; Gao, Yachen; Chen, Zhimin; Song, Yinglin; Wu, Yiqun; wang, Bin

    2014-02-01

    Composite film with alternating layers containing anionic 1,8,15,22-tetrakis (8-quinolineoxy-5-sulfonic acid)-phthalocyanine copper and cationic polydiallydimethylammonium chloride was fabricated by electrostatic self-assembled layer-by-layer (LBL) technique. The microstructure of the film was characterized by a series of techniques. The third-order nonlinear optical properties of the film were measured using 4f coherent imaging system with phase object (NIT-PO) with laser duration of 20 ps at the wavelength of 532 nm. The film exhibited excellent nonlinear absorption and self-focusing effect. The second-order molecular hyperpolarizability γ value of the film reaches as high as 1.54 × 10-29 esu.

  6. Single-trial extraction of cognitive evoked potentials by combination of third-order correlation and wavelet denoising.

    PubMed

    Zhang, Z; Tian, X

    2005-01-01

    The application of a recently proposed denoising implementation for obtaining cognitive evoked potentials (CEPs) at the single-trial level is shown. The aim of this investigation is to develop the technique of extracting CEPs by combining both the third-order correlation and the wavelet denoising methods. First, the noisy CEPs was passed through a finite impulse response filter whose impulse response is matched with the shape of the noise-free signal. It was shown that it is possible to estimate the filter impulse response on basis of a select third-order correlation slice (TOCS) of the input noisy CEPs. Second, the output from the third-order correlation filter is decomposed with bi-orthogonal splines at 5 levels. The CEPs is reconstructed by wavelet final approximation a5. We study its performance in simulated data as well as in cognitive evoked potentials of normal rat and Alzheimer's disease (AD) model rat. For the simulated data, the method gives a significantly better reconstruction of the single-trial cognitive evoked potentials responses in comparison with the simulated data. Moreover, with this approach we obtain a significantly better estimation of the amplitudes and latencies of the simulated CEPs. For the real data, the method clearly improves the visualization of single-trial CEPs. This allows the calculation of better averages as well as the study of systematic or unsystematic variations between trials.

  7. Large third-order optical nonlinearity in vertically oriented mesoporous silica thin films embedded with Ag nanoparticles

    NASA Astrophysics Data System (ADS)

    Tan, Min; Liu, Qiming

    2016-12-01

    Taking advantage of the channel confinement of mesoporous films to prevent the agglomeration of Ag nanoparticles to achieve large third-order optical nonlinearity in amorphous materials, Ag-loaded composite mesoporous silica film was prepared by the electrochemical deposition method on ITO substrate. Ag ions were firstly transported into the channels of mesoporous film by the diffusion and binding force of channels, which were reduced to nanoparticles by applying suitable voltage. The existence and uniform distribution of Ag nanoparticles ranging in 1-10 nm in the mesoporous silica thin films were exhibited by UV spectrophotometer, X-ray powder diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) measurements. The third-order optical nonlinearity induced by Ag nanoparticles was studied by the Z-scan technique. Due to the local field surface plasmon resonance, the maximum third-order nonlinear optical susceptibility of Ag-loaded composite mesoporous silica film is 1.53×10-10 esu, which is 1000 times larger than that of the Ag-contained chalcogenide glasses which showed large nonlinearity in amorphous materials.

  8. Anisotropic form of third-order moments and relationship to the cascade rate in axisymmetric magnetohydrodynamic turbulence

    SciTech Connect

    Podesta, J. J.; Forman, M. A.; Smith, C. W.

    2007-09-15

    Laws governing the behavior of statistical third-order moments in the inertial range are among the few rigorous results in the theory of statistically homogeneous incompressible magnetohydrodynamic turbulence. These fundamental laws apply to both isotropic and anisotropic turbulence. Assuming that the turbulence is stationary in time and statistically axisymmetric under proper rotations about the direction of the mean magnetic field, it is shown that the general mathematical form of the tensor quantities appearing in these laws is constrained by symmetry to have a particular form. Using these forms, the general solutions of the law for the vector and pseudovector third-order moments F and F{sub C} are obtained in the limit of large kinetic Reynolds number and large magnetic Reynolds number. The physical meaning of the different terms in F and F{sub C} are investigated and a method for obtaining the cascade rates of energy {epsilon} and cross-helicity {epsilon}{sub C} from experimental data is described. The results show that the measurement of the cascade rates goes hand-in-hand with the measurement of the spatial anisotropy of the third-order moments F and F{sub C}. The theory developed here can be applied to measure the turbulent cascade rates of energy and cross-helicity in laboratory plasma experiments, numerical simulations, and the solar wind.

  9. Third-order nonlinear optical properties and photophysical mechanism of a novel In-porphyrin polymer

    NASA Astrophysics Data System (ADS)

    Ni, Kaizao; Liu, Dajun; Li, Zhongguo; Xiao, Zhengguo; Yang, Junyi; Song, Yinglin

    2014-12-01

    We use the time-resolved degenerated PO pump-probe technique to investigate the nonlinear absorption and nonlinear refraction dynamics of a novel porphyrin derivate, Indium-Porphyrin functionalized with polymethylmethacrylate (InPor-MMA26), dissolved in DMF at 532 nm in picosecond domain simultaneously. The results indicate that the nonlinear optical responses are induced by solution molecular excited state nonlinearity only, without the existence of two-photon absorption or Kerr refraction. Combined with five-energy-level model, all nonlinear optical parameters are determined by analyzing the experimental curves and confirmed by 4 ns Z-scan at 532 nm. The sample has a good reverse saturable absorption and reasonable positive refraction. With the proper lifetime and intersystem crossing time, this sample can be a candidate for optical limiting. The polymer attached to porphyrin directly by chemical bonds. This makes it have better homogeneity compared to physical mixing in the form of film.

  10. Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamics.

    PubMed

    Rodríguez-Santiago, Luis; Alí-Torres, Jorge; Vidossich, Pietro; Sodupe, Mariona

    2015-05-28

    Several lines of evidence supporting the role of metal ions in amyloid aggregation, one of the hallmarks of Alzheimer's disease (AD), have turned metal ion chelation into a promising therapeutic treatment. The design of efficient chelating ligands requires proper knowledge of the electronic and molecular structure of the complexes formed, including their hydration properties. Among various potential chelators, clioquinol (5-chloro-7-iodo-8-hydroxyquinoline, CQH) has been evaluated with relative success in in vitro experiments and even in phase 2 clinical trials. Clioquinol interacts with Zn(ii) to lead to a binary metal/ligand 1 : 2 stoichiometric complex in which the phenolic group of CQH is deprotonated, resulting in Zn(CQ)2 neutral complexes, to which additional water molecules may coordinate. In the present work, the coordinative properties of clioquinol in aqueous solution have been analyzed by means of static, minimal cluster based DFT calculations and explicit solvent ab initio molecular dynamics simulations. Results from static calculations accounting for solvent effects by means of polarized continuum models suggest that the preferred metal coordination environment is tetrahedral Zn(CQ)2, whereas ab initio molecular dynamics simulations point to quasi degenerate penta Zn(CQ)2(H2O) and hexa Zn(CQ)2(H2O)2 coordinated complexes. The possible reasons for these discrepant results are discussed.

  11. 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.

  12. A first principles study on the structure of ice-VI: static distortion, molecular geometry, and proton ordering.

    PubMed

    Kuo, Jer-Lai; Kuhs, Werner F

    2006-03-02

    We have studied the structure of ice-VI by examining all ice-rule-allowed structures in its primary unit cell of 10 water molecules with first principles methods. A significant amount of static distortions in the oxygen positions away from their crystallographic positions are found, which is in good agreements with significant higher-order terms in the atomic displacement parameters obtained from X-ray and neutron diffraction data. Structural anomalies (such as exceptionally short OH bonds and small H-O-H angles) noted in conventional crystal structure refinements were not seen in our ab initio calculations, and it is evident that these structural anomalies arose from oversimplified models in which static distortions are not properly accounted for. Our results also show that the molecular geometry of water in ice-VI is similar to but richer than those in ice-Ih and ice-VII. Larger distortions in bond lengths/angles and correlation between the molecular geometry and the neighboring environments were found. Different proton-ordering schemes proposed in the literature were examined, and our calculations provide evidence in favor of a ferroelectric phase of the proton-ordered counterpart of ice-VI at about 80 K.

  13. Improved second-order hyperbolic residual-distribution scheme and its extension to third-order on arbitrary triangular grids

    NASA Astrophysics Data System (ADS)

    Mazaheri, Alireza; Nishikawa, Hiroaki

    2015-11-01

    In this paper, we construct second- and third-order hyperbolic residual-distribution schemes for general advection-diffusion problems on arbitrary triangular grids. We demonstrate that the accuracy of the second-order hyperbolic schemes in [J. Comput. Phys. 227 (2007) 315-352] and [J. Comput. Phys. 229 (2010) 3989-4016] can be greatly improved by requiring the scheme to preserve exact quadratic solutions. The improved second-order scheme can be easily extended to a third-order scheme by further requiring the exactness for cubic solutions. These schemes are constructed based on the SUPG methodology formulated in the framework of the residual-distribution method, and thus can be considered as economical and powerful alternatives to high-order finite-element methods. For both second- and third-order schemes, we construct a fully implicit solver by the exact residual Jacobian of the proposed second-order scheme, and demonstrate rapid convergence, typically with no more than 10-15 Newton iterations (and about 200-800 linear relaxations per Newton iteration), to reduce the residuals by ten orders of magnitude. We also demonstrate that these schemes can be constructed based on a separate treatment of the advective and diffusive terms, which paves the way for the construction of hyperbolic residual-distribution schemes for the compressible Navier-Stokes equations. Numerical results show that these schemes produce exceptionally accurate and smooth solution gradients on highly skewed and anisotropic triangular grids even for a curved boundary problem, without introducing curved elements. A quadratic reconstruction of the curved boundary normals and a high-order integration technique on curved boundaries are also provided in details.

  14. Superintegrability with third order integrals of motion, cubic algebras, and supersymmetric quantum mechanics. I. Rational function potentials

    SciTech Connect

    Marquette, Ian

    2009-01-15

    We consider a superintegrable Hamiltonian system in a two-dimensional space with a scalar potential that allows one quadratic and one cubic integrals of motion. We construct the most general cubic algebra and we present specific realizations. We use them to calculate the energy spectrum. All classical and quantum superintegrable potentials separable in Cartesian coordinates with a third order integral are known. The general formalism is applied to quantum reducible and irreducible rational potentials separable in Cartesian coordinates in E{sub 2}. We also discuss these potentials from the point of view of supersymmetric and PT-symmetric quantum mechanics.

  15. Ultrafast static and diffusion-controlled electron transfer at Ag29 nanocluster/molecular acceptor interfaces

    NASA Astrophysics Data System (ADS)

    Aly, Shawkat M.; Abdulhalim, Lina G.; Besong, Tabot M. D.; Soldan, Giada; Bakr, Osman M.; Mohammed, Omar F.

    2016-03-01

    Efficient absorption of visible light and a long-lived excited state lifetime of silver nanoclusters (Ag29 NCs) are integral properties for these new clusters to serve as light-harvesting materials. Upon optical excitation, electron injection at Ag29 NC/methyl viologen (MV2+) interfaces is very efficient and ultrafast. Interestingly, our femto- and nanosecond time-resolved results demonstrate clearly that both dynamic and static electron transfer mechanisms are involved in photoluminescence quenching of Ag29 NCs.Efficient absorption of visible light and a long-lived excited state lifetime of silver nanoclusters (Ag29 NCs) are integral properties for these new clusters to serve as light-harvesting materials. Upon optical excitation, electron injection at Ag29 NC/methyl viologen (MV2+) interfaces is very efficient and ultrafast. Interestingly, our femto- and nanosecond time-resolved results demonstrate clearly that both dynamic and static electron transfer mechanisms are involved in photoluminescence quenching of Ag29 NCs. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr05328e

  16. 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.

  17. 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.

  18. Third-Order Nonlinear Optic and Optical Limiting Properties of a Mn(iii) Transition Metal Complex

    NASA Astrophysics Data System (ADS)

    Karakas, Asli; Elmali, Ayhan; Yahsi, Yasemin; Kara, Hulya

    N,N‧-bis(5-bromosalicylidene)propane-1,2-diamine-O,O‧,N,N‧)-manganese(III) chloride transition metal complex has been synthesized and characterized by elemental analysis and UV-vis spectroscopy. Its crystal structure has been determined using X-ray diffraction analysis. To provide an insight into the optical limiting (OL) behavior of the title compound, the third-order nonlinear optical (NLO) properties, one-photon absorption (OPA) and two-photon absorption (TPA) characterizations have been theoretically investigated by means of the time-dependent Hartree-Fock (TDHF), AM1 and configuration interaction (CI) methods, respectively. According to ab initio calculation results, the examined molecule exhibits second hyperpolarizabilities (γ) with non-zero values at the positions of TPA peaks, implying microscopic third-order optical nonlinearity. The maximum OPA wavelengths recorded by linear optical experiment and quantum mechanical computations are estimated in the UV region to be shorter than 400 nm, showing good optical transparency to the visible light. The TPA cross-sections (δ(ω)) at λ max(2) values indicate that the synthesized compound might possess OL phenomena, which are in accord with the experimental observations on the manganese complexes in the literature.

  19. 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.

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

    PubMed

    Shanthi, A; Krishnan, C; Selvarajan, P

    2014-03-25

    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) cm(2)/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.

  1. 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.

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

    SciTech Connect

    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 elastic 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.

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

    SciTech Connect

    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 elastic 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.

  4. Characterization of the second- and third-order nonlinear optical susceptibilities of monolayer MoS2 using multiphoton microscopy

    NASA Astrophysics Data System (ADS)

    Woodward, R. I.; Murray, R. T.; Phelan, C. F.; de Oliveira, R. E. P.; Runcorn, T. H.; Kelleher, E. J. R.; Li, S.; de Oliveira, E. C.; Fechine, G. J. M.; Eda, G.; de Matos, C. J. S.

    2017-03-01

    We report second- and third-harmonic generation in monolayer MoS2 as a tool for imaging and accurately characterizing the material’s nonlinear optical properties under 1560 nm excitation. Using a surface nonlinear optics treatment, we derive expressions relating experimental measurements to second- and third-order nonlinear sheet susceptibility magnitudes, obtaining values of | {χ }{{s}}(2)| =2.0× {10}-20 m2 V-1 and, for the first time for monolayer MoS2, | {χ }{{s}}(3)| =1.7× {10}-28 m3 V-2. These sheet susceptibilities correspond to effective bulk nonlinear susceptibility values of | {χ }{{b}}(2)| =2.9 × {10}-11 m V-1 and | {χ }{{b}}(3)| =2.4× {10}-19 m2 V-2, accounting for the sheet thickness. Experimental comparisons between MoS2 and graphene are also performed, demonstrating ˜3.4 times stronger third-order sheet nonlinearity in monolayer MoS2, highlighting the material’s potential for nonlinear photonics in the telecommunications C band.

  5. Growth and characterization of butyl 4-hydroxybenzoate single crystal by vertical Bridgman technique for third order nonlinear optical applications

    NASA Astrophysics Data System (ADS)

    Arivazhagan, T.; Siva Bala Solanki, S.; Rajesh, Narayana Perumal

    2017-02-01

    The butyl 4-hydroxybenzoate single crystal has been grown by vertical Bridgman technique using single wall ampoule. The cell parameters of the grown crystal are verified by single crystal X-ray diffraction analysis. The functional groups of the grown crystal were identified by Fourier transform infrared analysis. The melting, decomposition and crystallization point of the compound are determined by thermo gravimetric analysis and differential scanning calorimetric analysis. The mechanical properties of the grown crystal has been analyzed by Vickers microhardness method. The optical behavior of the grown crystal has been observed by UV-vis-NIR transmission spectroscopic analysis which shows that the lower cut-off wavelength lying at 293 nm and found that the energy band gap value is 4.05 eV. The blue light emission of the crystal was identified by photoluminescence studies. The positive third order nonlinear optical parameters like nonlinear refractive index (n2), nonlinear absorption co-efficient (β) and third order nonlinear susceptibility (χ3) of the grown crystal was calculated by Z-scan studies. The positive sign of nonlinear refractive index (n2) indicates that the crystal exhibits self focusing optical nonlinearity. The crystal exhibits good optical power limiting behavior.

  6. 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

  7. Finite-size effects in molecular dynamics simulations: Static structure factor and compressibility. II. Application to a model krypton fluid

    NASA Astrophysics Data System (ADS)

    Salacuse, J. J.; Denton, A. R.; Egelstaff, P. A.; Tau, M.; Reatto, L.

    1996-03-01

    The method described in the preceding paper [J. J. Salacuse, A. R. Denton, and P. A. Egelstaff, preceding paper, Phys. Rev. E 53, 2382 (1996)] for computing the static structure factor S(Q) of a bulk fluid is used to analyze molecular dynamics computer simulation data for a model krypton fluid whose atoms interact via a truncated Aziz pair potential. Simulations have been carried out for two system sizes of N=706 and 2048 particles and two thermodynamic states, described by a common reduced temperature T*=1.51 and reduced densities ρ*=0.25 and 0.4. Results presented include the N-particle radial distribution function gN(r) and the bulk static structure factor S(Q). In addition we calculate the direct correlation function c(r) from the full S(Q). In comparison with corresponding predictions of the modified hypernetted chain theory, the results are generally in excellent agreement at all r and Q, to within random statistical errors in the simulation data.

  8. Molecular dipole static polarisabilities and hyperpolarisabilities of conjugated oligomer chains calculated with the local π-electron coupled cluster theory

    NASA Astrophysics Data System (ADS)

    Ivanov, Vladimir V.; Zakharov, Anton B.; Adamowicz, Ludwik

    2013-12-01

    A new semi-empirical π-electron local coupled cluster theory has been developed to calculate static dipole polarisabilities and hyperpolarisabilities of extended π-conjugated systems. The key idea of the approach is the use of the ethylene molecular orbitals as the orbital basis set for π-conjugated compounds (the method is termed the Covalent Unbonded Molecules of Ethylene method, cue). Test calculations of some small model organic conjugated compounds demonstrate high accuracy of the version of the cue local coupled cluster theory developed in this work in comparison with the π-electron full configuration interaction (FCI) method. Calculations of different conjugated carbon-based oligomer chains (polyenes, polyynes, polyacenes, polybenzocyclobutadiene, etc.) demonstrate fast convergence (per π-electron) of the polarisability and hyperpolarisability values in the calculations when more classes of orbital excitations are included in the coupled cluster single and double (CCSD) excitation operator. The results show qualitatively correct dependence on the system size.

  9. 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.

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

    SciTech Connect

    Endres, Florian Steinmann, Paul

    2016-01-14

    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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Nanolaminate structures fabricated by ALD for reducing propagation losses and enhancing the third-order optical nonlinearities

    NASA Astrophysics Data System (ADS)

    Karvonen, Lasse; Alasaarela, Tapani; Jussila, Henri; Mehravar, Soroush; Chen, Ya; Säynätjoki, Antti; Norwood, Robert A.; Peyghambarian, Nasser; Kieu, Khanh; Honkanen, Seppo; Lipsanen, Harri

    2014-03-01

    We demonstrate a novel atomic layer deposition (ALD) process to make high quality nanocrystalline titanium dioxide (TiO2) and zinc oxide (ZnO) with intermediate Al2O3 layers to limit the crystal size. The waveguide losses of TiO2/Al2O3 nanolaminates measured using the prism coupling method for both 633 nm and 1551 nm wavelengths are as low as 0.2 +/- 0.1 dB/mm with the smallest crystal size. We also show that the third-order optical nonlinearity in ZnO/Al2O3 nanolaminates can be enhanced by nanoscale engineering of the thin film structure.

  17. Soliton propagation in isotropic media under the influence of third order of linear dispersion and dispersion of nonlinearity

    NASA Astrophysics Data System (ADS)

    Dakova, D.; Dakova, A.; Slavchev, V.; Staykov, P.; Kovachev, L.

    2016-01-01

    In last two decades the phenomena resulting from the evolution of ultra-short laser pulses in nonlinear dispersive medium actively are being studied. The most commonly used equation for describing the dynamics of optical pulses in one-dimensional and planar waveguides is the standard nonlinear Schrodinger equation (NSE). It works very well for nanosecond and picosecond laser pulses, but in the frames of femtosecond optics, it is necessary two additional terms to be included. They are responsible for higher order of linear dispersion and dispersion of nonlinearity. These effects are significant in the range of ultra-short light pulses. In the present paper, it is presented a theoretical model of the propagation of optical solitons. We found an exact analytical soliton solution of the modified NSE, including third order of linear dispersion and dispersion of nonlinearity. It is possible to observe a soliton as a result of the dynamic balance between effects of higher order of dispersion and nonlinearity.

  18. Design of an ultra low power third order continuous time current mode ΣΔ modulator for WLAN applications

    PubMed Central

    Behzadi, Kobra; Baghelani, Masoud

    2013-01-01

    This paper presents a third order continuous time current mode ΣΔ modulator for WLAN 802.11b standard applications. The proposed circuit utilized feedback architecture with scaled and optimized DAC coefficients. At circuit level, we propose a modified cascade current mirror integrator with reduced input impedance which results in more bandwidth and linearity and hence improves the dynamic range. Also, a very fast and precise novel dynamic latch based current comparator is introduced with low power consumption. This ultra fast comparator facilitates increasing the sampling rate toward GHz frequencies. The modulator exhibits dynamic range of more than 60 dB for 20 MHz signal bandwidth and OSR of 10 while consuming only 914 μW from 1.8 V power supply. The FoM of the modulator is calculated from two different methods, and excellent performance is achieved for proposed modulator. PMID:25685504

  19. 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.

  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. Enhancement of third-order nonlinear optical susceptibility of Alq3 in polar aprotic solvents.

    PubMed

    Derkowska-Zielinska, Beata

    2017-02-01

    The influence of solvent polarity on nonlinear optical properties of tris-(8-hydroxyquinoline)-aluminum (Alq3) was investigated by the degenerate four-wave mixing method at the 532 nm. It was obtained that the effective values of the third-order nonlinear optical susceptibility (χeff⟨3⟩) and the second-order hyperpolarizability (γeff) of Alq3 depend on the solvent polarity. Additionally, it was found that Alq3 dissolved in dimethyl sulfoxide has the highest values of χeff⟨3⟩ and γeff. Furthermore, two Stegeman's figures of merit were also calculated. The obtained results suggest that Alq3 is also promising material for application in all-optical signal processing devices.

  2. 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.

  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. Synthesis and photophysical characterization of MWCNTs/poly(pyrrolyl methine) composite with large third-order optical nonlinearity

    NASA Astrophysics Data System (ADS)

    Li, Baoming; Shi, Mingwei; Yan, Dong; Bai, Mengdi

    2016-10-01

    MWCNTs/poly (pyrrolyl methine) composites with the different contents of MWCNTs were synthesized by in-situ ultrasonic polymerization, and their structures and photophysical properties were also investigated. The results revealed that the third-order nonlinear optical susceptibility of MWCNTs/PHPDTBE composite showed a rapid increase with the increase of MWCNTs' content, and obtained a maximum value of 3.41 × 10-7 esu, which was almost ten times larger than that of PHPDTBE of 3.49 × 10-8 esu. The enhanced optical nonlinearity was attributed to strong photoinduced electron transfer from PHPDTBE to MWCNTs by right of their strong noncovalent π-π interaction in the photoexcited state.

  5. An assessment of four-noded plate finite elements based on a generalized third-order theory

    NASA Astrophysics Data System (ADS)

    Averill, R. C.; Reddy, J. N.

    1992-06-01

    Plate finite elements based on the generalized third-order theory of Reddy and the first-order shear deformation theory are analyzed and compared on the basis of thick and thin plate modeling behavior, distortion sensitivity, overall accuracy, reliability, and efficiency. In particular, several four-noded Reddy-type elements and the nine-noded Lagrangian and heterosis (Mindlin-type) plate elements are analyzed to assess their behavior in bending, vibration, and stability of isotropic and laminated composite plates. A four-noded Reddy-type element is identified which is free of all spurious stiffness and zero energy modes, computationally efficient, and suitable for use in any general-purpose finite element program.

  6. An assessment of four-noded plate finite elements based on a generalized third-order theory

    NASA Technical Reports Server (NTRS)

    Averill, R. C.; Reddy, J. N.

    1992-01-01

    Plate finite elements based on the generalized third-order theory of Reddy and the first-order shear deformation theory are analyzed and compared on the basis of thick and thin plate modeling behavior, distortion sensitivity, overall accuracy, reliability, and efficiency. In particular, several four-noded Reddy-type elements and the nine-noded Lagrangian and heterosis (Mindlin-type) plate elements are analyzed to assess their behavior in bending, vibration, and stability of isotropic and laminated composite plates. A four-noded Reddy-type element is identified which is free of all spurious stiffness and zero energy modes, computationally efficient, and suitable for use in any general-purpose finite element program.

  7. 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

  8. 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.

  9. 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.; ...

    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

  10. 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.; ...

    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

  11. 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.

  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.

  13. Molecular statics calculations for iron oxide and oxyhydroxide minerals: Toward a flexible model of the reactive mineral-water interface

    NASA Astrophysics Data System (ADS)

    Rustad, James R.; Felmy, Andrew R.; Hay, Benjamin P.

    1996-05-01

    Molecular statics calculations are used to model the major FeOOH polymorphs and hematite. The potentials were taken from a previous investigation of Fe(III) in aqueous solutions which involved the extrapolation of the gas-phase Fe(III)-OH 2 potential energy surface to the solvated hexaaqua complex. Using this model for the solid phases, lattice parameters for goethite, akaganeite, lepidocrocite, and hematite are generally within 4% of experiment. Internal energies (at 0 K) were computed for each structure; lepidocrocite is energetically the most stable polymorph, followed by akaganeite, with goethite being the least stable. While the model exhibits some variances with experiment, it performs remarkably well, despite the challenging constraint of being consistent with a dissociating molecular dynamics model for water in its gas, aqueous, and solid phases. Because of this consistency, the model allows qualitative theoretical treatment of previously unapproachable problems in mineral-water interface geochemistry. We apply the model to identify surface species on the solvated (110) surface of goethite.

  14. 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.

  15. Synthesis and characterization of d10 metal complexes of 3-Me-5-FcPz: Structural, theoretical and third order nonlinear optical properties

    NASA Astrophysics Data System (ADS)

    Senthilkumar, Kabali; Thirumoorthy, Krishnan; Vinitha, G.; Soni, Kiran; Bhuvanesh, Nattamai S. P.; Palanisami, Nallasamy

    2017-01-01

    The d10 metal complexes based on 3-methyl-5-ferrocenyl-1H-pyrazole (L = 3-Me-5-FcPz) ligand [M(L)4(NO3)2] Zn=(1) and Cd=(2), [Hg(L)4(NO3)2].dmf (3) have been synthesized and characterized by FT-IR, NMR, UV-Vis and elemental analysis. The molecular structure of compound 2 and its crystal packing were determined by single crystal X-ray diffraction. The nitrate anions are also involved in intermolecular hydrogen bonding with adjacent ferrocene units and it forms zig-zag one-dimensional polymeric structure. UV-Vis investigations on the positive solvatochromic behavior of 1-3 revealed that the solvation of the push-pull character increases with increasing polarity. The third-order nonlinear optical (NLO) properties of 1-3 have been determined by Z-scan technique and the results indicate that compounds 1-3 exhibits the strong self-defocusing effect. The nonlinear susceptibility χ(3) values are calculated in the order of 10-6 esu.

  16. 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.

  17. Molecular characterisation of soybean polysaccharides: an approach by size exclusion chromatography, dynamic and static light scattering methods.

    PubMed

    Wang, Qi; Huang, Xiaoqing; Nakamura, Akihiro; Burchard, Walther; Hallett, F Ross

    2005-12-12

    Water soluble polysaccharides from soybean (SSPS) have a pectin-like structure and are used as stabilisers in acidified beverages. Physicochemical properties such as structure, molecular weight and shape or conformation are primary factors controlling their functional properties. Two soybean polysaccharides, a native SSPS and a modified SSPS treated with beta-(1-->4)-D-galactosidase (GPase/SSPS) were studied by dynamic and static light scattering (DLS, SLS) and size exclusion chromatography (SEC). Consecutive filtrations using a range of membrane pore size removed a small fraction of macromolecular aggregates from dilute polysaccharide solutions with relatively little effect on the major component molecules as monitored by DLS and SEC measurements. Access to aggregate-free dilute solutions of SSPS and GPase/SSPS allowed the direct measurement of molecular characteristics. SLS results showed that SSPS had a weight average molecular weight of (645+/-11)x 10(3)g/mol and a radius of gyration, Rg, of (23.5+/-2.8)nm. By comparing R(g) with the hydrodynamic radius, Rh (21.1+/-0.5 nm) obtained from DLS, the structural parameter rho (Rg/Rh) was found to be 1.1, suggesting that SSPS has an overall globular shape due to a highly branched structure. The modified SSPS had a significantly lower molecular weight (287+/-18)x 10(3)g/mol but a similar radius of gyration (23.2+/-1.7 nm). The structure parameter rho of GPase/SSPS was higher (rho=1.3) because of a smaller hydrodynamic radius (17.7+/-1.8 nm). This suggests that GPase/SSPS has a much less branched structure yet still differs significantly from a linear random coil conformation (rho=1.7-2.0). The results derived from SLS and DLS are in agreement with the conclusions obtained from a chemical analysis where the reduction of molecular weight of GPase/SSPS was caused by the cleavage of galactan side chains.

  18. Third-order random lasing via Raman gain and Rayleigh feedback within a half-open cavity.

    PubMed

    Wang, Zinan; Wu, Han; Fan, Mengqiu; Rao, Yunjiang; Jia, Xinhong; Zhang, Weili

    2013-08-26

    Third-order random lasing operating in 1670 nm spectral band is experimentally demonstrated for the first time to the best of our knowledge, with only 2.45 W pump threshold. The lasing cavity is formed by G.652 fiber and fiber loop mirrors (FLMs), while the former acts as the distributed reflector and the latter acts as the point reflector. The G.652 fiber and the FLMs are connected via a multi-band wavelength-division-multiplexer, which ensures each of the three Raman Stokes components generated in the long fiber is routed to one FLM and then reflected back with minimum loss. Unlike existing half-open random lasing cavities using fiber Bragg gratings, the reflection bandwidth of FLMs is wide enough to preserve the intrinsic spectral features of each lasing bands, providing a valuable platform to study the mechanism of high-order random lasing in fibers. Also, the reflection efficiency can be treated as an invariant as the pump power grows, significantly reducing the threshold of high-order random lasing. The stationary model is used to calculate the output power, and the results fit the experimental data well.

  19. Third-order optical nonlinearity at 800 and 1300 nm in bismuthate glasses doped with silver nanoparticles.

    PubMed

    Chen, Feifei; Cheng, Junwen; Dai, Shixun; Xu, Zhe; Ji, Wei; Tan, Ruiqin; Zhang, Qinyuan

    2014-06-02

    Large and ultrafast third-order optical nonlinearities in Ag-doped bismuthate glasses which are prepared by incorporating Ag ions into bismuthate glasses to form Ag nanoparticles through a consecutive melting-quenching-annealing technique are reported. Due to the high refractive index of bismuthate glass, surface plasmon resonance (SPR) of Ag nanoparticles is extendable to 1400 nm, resulting in a higher nonlinear refractive index than bismuthate glass. Femtosecond Z-scans show that the nonlinear refractive index, as high as 9.4 × 10(-17) and 5.6 × 10(-18) m(2) W(-1) at 800 and 1300 nm, respectively, can be achieved by selecting an optimized concentration of Ag nano-sized particles. And two-photon absorption at 800 nm is suppressed due to a blue shift in the band-gap of Ag-doped bismuthate glasses, as compared to pristine bismuthate glasses. Optical Kerr shutter technique reveals that these nonlinearities have a relaxation time of < 1 ps.

  20. Local explicitly correlated second- and third-order Møller-Plesset perturbation theory with pair natural orbitals.

    PubMed

    Hättig, Christof; Tew, David P; Helmich, Benjamin

    2012-05-28

    We present an algorithm for computing explicitly correlated second- and third-order Møller-Plesset energies near the basis set limit for large molecules with a cost that scales formally as N(4) with system size N. This is achieved through a hybrid approach where locality is exploited first through orbital specific virtuals (OSVs) and subsequently through pair natural orbitals (PNOs) and integrals are approximated using density fitting. Our method combines the low orbital transformation costs of the OSVs with the compactness of the PNO representation of the doubles amplitude vector. The N(4) scaling does not rely upon the a priori definition of domains, enforced truncation of pair lists, or even screening and the energies converge smoothly to the canonical values with decreasing occupation number thresholds, used in the selection of the PNO basis. For MP2.5 intermolecular interaction energies, we find that 99% of benchmark basis set limit correlation energy contributions are recovered using an aug-cc-pVTZ basis and that on average only 50 PNOs are required to correlate the significant orbital pairs.

  1. Investigation on ultrafast third-order nonlinear optical properties of benzothiadiazole copolymer with triphenylamine derivative side chain

    NASA Astrophysics Data System (ADS)

    Gong, Weixiang; Yang, Junyi; Qin, Yuan-cheng; Wu, Xing-zhi; Jin, Xiao; Song, Yinglin

    2016-10-01

    The third-order nonlinear optical properties of benzothiadiazole copolymer with triphenylamine derivative side chain (BCT) dissolved in chloroform are investigated by top-hat Z-scan and time-resolved pump-probe techniques with a picoseconds pulses laser at wavelength of 532nm. Organic polymers of triphenylamine have been widely applied to optoelectronic devices owing to its outstanding physics and chemistry characteristic. So its nonlinear optical characteristic is worth studying. The sample's excited-state dynamics can be detected by the pump-probe with phase object device with/without an aperture in the far field. We can determine the sample's nonlinear absorptive and refractive coefficient by the top-hot Z-scan device with/without an aperture in the far field. The experimental results show that the BCT has a good reverse saturation absorption and negative refraction. At the same time, the BCT showed up long excited-state lifetimes. By means of a five-level model and analyzing the experimental curves, all nonlinear optical parameters are obtained. With the proper lifetime and intersystem crossing time, this sample can be a candidate for optical limiting.

  2. 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.

  3. Second- and Third-Order Elastic Constants of Filaments of HexTow® IM7 Carbon Fiber

    NASA Astrophysics Data System (ADS)

    Oliveira, L.; Hitchcock, D.; Behlow, H.; Podila, R.; Skove, M. J.; Serkiz, S. M.; Rao, A. M.

    2014-03-01

    Single filaments of HexTow® IM7-12K carbon fiber were subjected to tensile measurements on a device which applies a known stress σ, and measures the resulting strain ɛ, and the change in resistivity Δρ. Young's modulus E, the resistivity ρ, the piezoresistivity Δρ/ρɛ, and the nonlinearity in the stress-strain relation δ, were determined to be 264.1 ± 16.0 GPa, 1.5 ± 0.1 × 10-3 Ω cm, 1.3 ± 0.1, and -4.96 ± 0.23, respectively. The values obtained for Young's modulus and the resistivity of the fiber are in reasonable agreement with the values reported by the manufacturer. To the best of our knowledge, this is the first report of a measurement of a third-order elastic constant of a single filament of HexTow® IM7-12K. Given the high elastic strains attainable in these fibers and the negative value of δ, the usual calculation of E from a linear fit to the stress-strain data leads to an incorrect higher value of E. According to the accepted thermodynamic definition of the elastic constants, one must use the initial slope of the stress-strain curve to evaluate E. We also observed that the glue used to secure the fiber has an influence on the apparent modulus of the fiber.

  4. Magneto-conductive encryption assisted by third-order nonlinear optical effects in carbon/metal nanohybrids

    NASA Astrophysics Data System (ADS)

    García-Merino, J. A.; Mercado-Zúñiga, C.; Martínez-González, C. L.; Torres-SanMiguel, C. R.; Vargas-García, J. R.; Torres-Torres, C.

    2017-03-01

    The influence of a magnetic field on electrical conductivity and the third-order nonlinear optical properties exhibited by carbon nanotubes decorated with platinum nanoparticles is reported. The experimental and numerical results of the nonlinear magneto-optics, magneto-conductivity and photo-thermal processes were analyzed. The simultaneous impact of optical absorptive nonlinearities and the magnetic field in the sample allowed us to encrypt information in the electronic signals by designing an exclusive-OR logic gate scheme. The samples were prepared in film form using a spray pyrolysis route and a chemical vapor deposition approach. The characterization of the morphological nature of the multiwall nanotubes was evaluated by transmission electron microscopy and x-ray techniques. A vectorial two-wave mixing method was conducted by using nanosecond pulses at 532 nm in order to estimate the nonlinear optical behavior in the nanohybrid materials explored. An important enhancement in the phonon-band-structured transport from the inclusion of nanoparticles in the nanotubes was numerically calculated. A distinguished modification in the transient dynamics of the photo-thermal transitions and Kerr nonlinearities was pointed out to be due to the metallic nanoparticles incorporated in the sample. An extraordinary evolution of the magneto-conductivity, together with a strong change in the optical Kerr transmittance exposed to the magnetic field in propagation through the nanostructures, was observed.

  5. Ultrafast carrier dynamics and third order nonlinear optical properties of aluminum doped zinc oxide (AZO) thin films

    NASA Astrophysics Data System (ADS)

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

    2017-04-01

    Aluminum doped zinc oxide (AZO) thin films were fabricated by simultaneous RF/DC magnetron sputtering technique on sapphire (Al2O3) substrate with different DC sputtering power 2, 6, 8 and 10 W respectively. The sputtered thin films were annealed at 350 °C in order to improve the crystal quality. AZO thin films are systematically analyzed using X-ray diffraction (XRD), scanning electron microscopy (SEM) and UV-VIS spectrometer for structural and optical properties. XRD patterns show that all sputtered thin films are well crystallized with hexagonal wurtzite structure. SEM images reveal the average crystallite sizes are increased after doping Al in ZnO which agreed with the calculated values from XRD. All thin films possess high optical transmittance in visible region and optical band gap values are relatively increased with Al concentration. The ultrafast transient absorption (TA) of AZO was analyzed by femtosecond pump-probe spectroscopy. The kinetic TA curves were fitted by tri-exponential decay function and obtained decay time constants are found to be in few picosecond and nanosecond range for ultrafast and slow processes respectively. Third order nonlinear optical absorption and refraction coefficients were investigated by using Z-scan technique. The observed nonlinear coefficients are enhanced with Al concentration in ZnO.

  6. 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.

  7. Role of reaction time in tuning the morphology and third order nonlinear optical properties of barium borate

    NASA Astrophysics Data System (ADS)

    Sabari Girisun, T. C.; Saravanan, M.; Vinitha, G.

    2017-03-01

    Single crystalline nanoclusters and nanorods like structure of barium borate (β- BaB2O4) were synthesized by organic free hydrothermal method at various reaction times of 8, 24 and 48 h. XRD shows the formation of pure and single phase of β- BaB2O4 with improved crystallinity at elevated reaction time. β- BaB2O4 crystallizes in hexagonal system with lattice parameter a=b=12.53 Å and c=12.72 Å. The surface morphology picturizes the formation of nanoclusters and rod structures with several micrometer length and nanometer diameter. By increasing the reaction time and due to prolonged pressure, aggregation followed by elongation resulted in the transformation of nanoclusters into rod like structure. The nanostructured barium borates possess strong UV absorbance and wide optical window. The nonlinear optical studies by Z- scan technique shows the material to possess saturable absorption and self-defocusing nature. A strong variation in third order nonlinear optical parameters with change in the morphology of β- BaB2O4 was observed. Also β- BaB2O4 rod like structure is identified to be more efficient optical limiters in the green regime of continuous wave lasers.

  8. Local explicitly correlated second- and third-order Møller-Plesset perturbation theory with pair natural orbitals

    NASA Astrophysics Data System (ADS)

    Hättig, Christof; Tew, David P.; Helmich, Benjamin

    2012-05-01

    We present an algorithm for computing explicitly correlated second- and third-order Møller-Plesset energies near the basis set limit for large molecules with a cost that scales formally as N^4 with system size N. This is achieved through a hybrid approach where locality is exploited first through orbital specific virtuals (OSVs) and subsequently through pair natural orbitals (PNOs) and integrals are approximated using density fitting. Our method combines the low orbital transformation costs of the OSVs with the compactness of the PNO representation of the doubles amplitude vector. The N^4 scaling does not rely upon the a priori definition of domains, enforced truncation of pair lists, or even screening and the energies converge smoothly to the canonical values with decreasing occupation number thresholds, used in the selection of the PNO basis. For MP2.5 intermolecular interaction energies, we find that 99% of benchmark basis set limit correlation energy contributions are recovered using an aug-cc-pVTZ basis and that on average only 50 PNOs are required to correlate the significant orbital pairs.

  9. 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.

  10. 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.

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

    PubMed

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

    2015-01-01

    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 (SP(N)). Coupling the SP(N) 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.

  12. 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.

  13. Third order spectral analysis robust to mixing artifacts for mapping cross-frequency interactions in EEG/MEG

    PubMed Central

    Chella, F.; Marzetti, L.; Pizzella, V.; Zappasodi, F.; Nolte, G.

    2014-01-01

    We present a novel approach to the third order spectral analysis, commonly called bispectral analysis, of electroencephalographic (EEG) and magnetoencephalographic (MEG) data for studying cross-frequency functional brain connectivity. The main obstacle in estimating functional connectivity from EEG and MEG measurements lies in the signals being a largely unknown mixture of the activities of the underlying brain sources. This often constitutes a severe confounder and heavily affects the detection of brain source interactions. To overcome this problem, we previously developed metrics based on the properties of the imaginary part of coherency. Here, we generalize these properties from the linear to the nonlinear case. Specifically, we propose a metric based on an antisymmetric combination of cross-bispectra, which we demonstrate to be robust to mixing artifacts. Moreover, our metric provides complex-valued quantities that give the opportunity to study phase relationships between brain sources. The effectiveness of the method is first demonstrated on simulated EEG data. The proposed approach shows a reduced sensitivity to mixing artifacts when compared with a traditional bispectral metric. It also exhibits a better performance in extracting phase relationships between sources than the imaginary part of cross-spectrum for delayed interactions. The method is then applied to real EEG data recorded during resting state. A cross-frequency interaction is observed between brain sources at 10 Hz and 20 Hz, i.e., for alpha and beta rhythms. This interaction is then projected from signal to source level by using a fit-based procedure. This approach highlights a 10–20 Hz dominant interaction localized in an occipito-parieto-central network. PMID:24418509

  14. [Litter decomposition and associated macro-invertebrate functional feeding groups in a third-order stream of northern Guangdong].

    PubMed

    Yan, Ling; Zhao, Ying; Han, Cui-xiang; Tong, Xiao-li

    2007-11-01

    By placing 5 mm- and 0.1 mm mesh bags with Dracontomelon duperreanum (Anacardiaceae) and Syzygium jambos (Myrtaceae) litters in the Hengshishui Stream, a third-order stream in northern Guangdong of China, this paper studied the decomposition of the litters and the colonization of macro-invertebrates over a 101-day period. The results showed that the decomposition rate of D. duperreanum litter in 5 mm- and 0.1 mm mesh bags was 0.0247 d(-1) and 0.0151 d(-1), while that of S. jambos litter was 0.0108 d(-1) and 0.0095 d(-1), respectively, indicating that D. duperreanum litter decomposed faster than S. jambos litter, and the decomposition rates of these two kinds of litters were higher in coarse mesh bag than in fine mesh bag. Among the colonized macro-invertebrate functional feeding groups, scraper occupied the highest proportion (36%), followed by collector (33%), predator (25%), and shredder (6%). At the middle and late stages of the experiment, the total number of individuals and the numbers and densities of dominant groups of macroinvertebrates on D. duperreanum litter were significantly higher than those on S. jambos litter. It was suggested that in the subtropical medium-size streams where shredders are few or absent, scrapers play an important role in the breakdown of litter. The low decomposition rate of S. jambos litter was mainly due to its high content of polyphenols which inhibits microbial activity and makes the litter less eatable to the macro-invertebrates.

  15. Third order spectral analysis robust to mixing artifacts for mapping cross-frequency interactions in EEG/MEG.

    PubMed

    Chella, F; Marzetti, L; Pizzella, V; Zappasodi, F; Nolte, G

    2014-05-01

    We present a novel approach to the third order spectral analysis, commonly called bispectral analysis, of electroencephalographic (EEG) and magnetoencephalographic (MEG) data for studying cross-frequency functional brain connectivity. The main obstacle in estimating functional connectivity from EEG and MEG measurements lies in the signals being a largely unknown mixture of the activities of the underlying brain sources. This often constitutes a severe confounder and heavily affects the detection of brain source interactions. To overcome this problem, we previously developed metrics based on the properties of the imaginary part of coherency. Here, we generalize these properties from the linear to the nonlinear case. Specifically, we propose a metric based on an antisymmetric combination of cross-bispectra, which we demonstrate to be robust to mixing artifacts. Moreover, our metric provides complex-valued quantities that give the opportunity to study phase relationships between brain sources. The effectiveness of the method is first demonstrated on simulated EEG data. The proposed approach shows a reduced sensitivity to mixing artifacts when compared with a traditional bispectral metric. It also exhibits a better performance in extracting phase relationships between sources than the imaginary part of the cross-spectrum for delayed interactions. The method is then applied to real EEG data recorded during resting state. A cross-frequency interaction is observed between brain sources at 10Hz and 20Hz, i.e., for alpha and beta rhythms. This interaction is then projected from signal to source level by using a fit-based procedure. This approach highlights a 10-20Hz dominant interaction localized in an occipito-parieto-central network.

  16. 1.55μm laterally coupled ridge-waveguide DFB lasers with third-order surface grating

    NASA Astrophysics Data System (ADS)

    Dridi, Kais; Benhsaien, Abdessamad; Zhang, Jessica; Hall, Trevor

    2012-10-01

    Laterally-coupled distributed feedback (LC-DFB) lasers offer compelling advantages over standard DFB lasers. The use of surface grating on the ridge waveguide sidewalls in LC-DFB devices avoids any epitaxial overgrowth. This provides a considerable simplification in the fabrication process, reducing cost and time of manufacturing, and ultimately increasing yield. It offers also the potential for monolithic integration with other devices; paving the way towards low-cost and mass-production of photonics integrated circuits. In this work, we report on the realization of high-order grating InGaAsP/InP multiple-quantum-well (MQW) LC-DFB lasers at 1.55 μm by means of stepper lithography and inductively-coupled reactive-ion as well as wet chemical etching. Third-order rectangular-shaped grating has been lithographically defined on the ridge waveguide sidewalls with a relatively deep etching along the laser cavity. The preliminary experimental characterization shows interesting results for as-cleaved devices tested in room temperature under CW operation. A fabricated 1500 μm-long cavity LC-DFB laser shows stable single-mode operation with a side mode suppression ratio as high as 50 dB. The tested device can emit at power as high as 9 mW, and the measured threshold current is around 80 mA at room temperature. Moreover, the measured linewidth has been found to be as narrow as 178 kHz using the delayed self-heterodyne interferometric technique.

  17. Extracting third order optical nonlinearities of Mn(III)-Phthalocyanine chloride using high repetition rate femtosecond pulses

    NASA Astrophysics Data System (ADS)

    Makhal, Krishnandu; Mathur, Paresh; Maurya, Sidharth; Goswami, Debabrata

    2017-02-01

    Third order nonlinearities of Mn(III)-Phthalocyanine chloride in dimethyl-sulphoxide under 50 fs pulses, operating at 94 MHz, by eliminating cumulative thermal effects have been investigated and reported by us. Modifications were done in data acquisition during Z-scan experiment, which included recording of time evolution waveform traces in an oscilloscope and not collection of Z versus transmission and utilization of a chopper of a suitable duty cycle. Time evolution traces were further processed analytically through MatLab® programming, which yielded Z-scan traces similar to what was obtained with single shot 50 fs pulse. We observed reverse saturable absorption at 800 nm owing to excited state absorption. We show that the nonlinear refractive index (γ) and nonlinear absorption coefficient (β) are over estimated almost 100 times, when MHz pulses are used compared to a situation, where thermo-optical nonlinearities are accounted. Illumination and dark periods are carefully set in a way, so that the sample is able to completely recover its initial temperature before arrival of the next pulse. Magnitudes of γ and β were found to be -(6.5-4.9) × 10-16 m2/W and (5.4-6.2) × 10-10 m/W under the MHz condition, whereas they were -(0.18-2.2) × 10-18 m2/W and (9.5-15) × 10-12 m/W under the thermally managed condition, respectively. To reveal the associated fast nonlinearity, femtosecond transient absorption experiment was performed, which inferred excited state absorption and ground state bleaching across the 450-780 nm region. Dynamics associated with these processes are reported along with fluorescence lifetime obtained through the TCSPC technique. Structure optimization using TDDFT calculations and HOMO-LUMO gaps with orbital pictures are also shown.

  18. Circularly polarized molecular high-order harmonic generation in H{sub 2}{sup +} with intense laser pulses and static fields

    SciTech Connect

    Yuan, Kai-Jun; Bandrauk, Andre D.

    2011-06-15

    Molecular high-order harmonic generation (MHOHG) by a combined intense circularly polarized laser pulse and static electric field has been studied from the appropriate time-dependent Schroedinger equation (TDSE) for the H{sub 2}{sup +} molecular ion. It is found that for a particular static field strength derived from a classical model, efficient MHOHG spectra are obtained with maximum energy I{sub p} + 9.05U{sub p}, where I{sub p} is the ionization potential and U{sub p}=E{sub 0}{sup 2}/4m{sub e{omega}0}{sup 2} is the ponderomotive energy at amplitude E{sub 0} and frequency {omega}{sub 0} of the circularly polarized laser pulse. The static field controls recollision of the electron with parent ions and is confirmed by numerical solutions of the H{sub 2}{sup +} TDSE at equilibrium. To produce circularly polarized MHOHG spectra, a combination of an elliptically polarized pulse and a static electric field is found to be most efficient. A time-frequency analysis obtained via Gabor transforms is employed to identify electron recollision times responsible for the generation of these high-order harmonics. It is found that only single recollision trajectories contribute to the circularly polarized harmonics, thus generating new sources for high-frequency circularly polarized attosecond pulses.

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

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

    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.

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

    PubMed

    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.

  1. Use of cycle stacking patterns to define third-order depositional sequences: Middle to Late Cambrian Bonanza King Formation, southern Great basin

    SciTech Connect

    Montanez, I.P.; Droser, M.L. )

    1991-03-01

    The Middle to Late Cambrian Bonanza King Formation (CA, NV) is characterized by superimposed scales of cyclicity. Small-scale cycles (0.5 to 10m) occur as shallowing-upward peritidal and subtidal cycles that repeat at high frequencies (10{sup 4} to 10{sup 5}). Systematic changes in stacking patterns of meter-scale cycles define several large-scale (50-250 m) third-order depositional sequences in the Bonanza King Formation. Third-order depositional sequences can be traced within ranges and correlated regionally across the platform. Peritidal cycles in the Bonanza King Formation are both subtidal- and tidal flat-dominated. Tidal flat-dominated cycles consist of muddy bases grading upward into thrombolites or columnar stromatolites all capped by planar stromatolites. Subtidal cycles in the Bonanza King Formation consist of grainstone bases that commonly fine upward and contain stacked hardgrounds. These are overlain by digitate-algal bioherms with grainstone channel fills and/or bioturbated ribbon carbonates with grainstone lenses. Transgressive depositional facies of third-order depositional sequences consist primarily of stacks of subtidal-dominated pertidial cycles and subtidal cycles, whereas regressive depositional facies are dominated by stacks of tidal flat-dominated peritidal cycles and regoliths developed over laminite cycle caps. The use of high frequency cycles in the Bonanza King Formation to delineate regionally developed third-order depositional sequences thus provides a link between cycle stratigraphy and sequence stratigraphy.

  2. 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…

  3. A series of stilbazolium salts with A-π-A model and their third-order nonlinear optical response in the near-IR region.

    PubMed

    Tang, Yiwen; Liu, Hui; Zhang, Hui; Li, Dandan; Su, Jian; Zhang, Shengyi; Zhou, Hongping; Li, Shengli; Wu, Jieying; Tian, Yupeng

    2017-03-15

    A series of water-soluble stilbazolium salts with A-π-A (A: Acceptor) model have been synthesized and fully characterized. The results obtained from absorption spectra and TD-DFT computational studies show that there is a relative strong intramolecular charge transfer (ICT) transition from pyridine unit to pyridine cation of the stilbazolium salts. Furthermore, it is found that the three stilbazolium salts (T1, T2, T3) show the strong two-photon absorption (2PA) response in the near-infrared (IR) region by Z-scan technique using femtosecond laser. And the stilbazolium salt T3 shows the largest two-photon absorption cross-section and third-order nonlinear optical (NLO) coefficient χ((3)) at 730nm, indicating the different terminal substituent group of the pyridinium plays a vital role in third-order NLO behavior.

  4. A series of stilbazolium salts with A-π-A model and their third-order nonlinear optical response in the near-IR region

    NASA Astrophysics Data System (ADS)

    Tang, Yiwen; Liu, Hui; Zhang, Hui; Li, Dandan; Su, Jian; Zhang, Shengyi; Zhou, Hongping; Li, Shengli; Wu, Jieying; Tian, Yupeng

    2017-03-01

    A series of water-soluble stilbazolium salts with A-π-A (A: Acceptor) model have been synthesized and fully characterized. The results obtained from absorption spectra and TD-DFT computational studies show that there is a relative strong intramolecular charge transfer (ICT) transition from pyridine unit to pyridine cation of the stilbazolium salts. Furthermore, it is found that the three stilbazolium salts (T1, T2, T3) show the strong two-photon absorption (2PA) response in the near-infrared (IR) region by Z-scan technique using femtosecond laser. And the stilbazolium salt T3 shows the largest two-photon absorption cross-section and third-order nonlinear optical (NLO) coefficient χ(3) at 730 nm, indicating the different terminal substituent group of the pyridinium plays a vital role in third-order NLO behavior.

  5. Study of the third order nonlinear optical properties of Zn1-xMgxSe and Cd1-xMgxSe crystals

    NASA Astrophysics Data System (ADS)

    Derkowska, B.; Firszt, F.; Sahraoui, B.; Marasek, A.; Kujawa, M.

    2008-03-01

    Third order nonlinear optical susceptibilities χ<3> of ternary Zn1-xMgxSe and Cd1-xMgxSe crystals have been measured using standard degenerate four-wave mixing (DFWM) method at 532 nm. The nonlinear transmission technique has been applied to check if our crystals exhibit two-photon absorption. The studied Zn1-xMgxSe and Cd1-xMgxSe solid solutions were grown from the melt by the modified high-pressure Bridgman method. For both crystals the energy gap increases with increasing Mg content. In the case of Zn1-xMgxSe, it was found that the value of third order nonlinear optical susceptibility χ<3> decreases with increasing Mg content. An explanation of this behaviour results from the dependence of optical nonlinearities on the energy band gap Eg of the studied crystals. In the case of Cd1txMgxSe with low content of Mg, no response was observed for the studied wavelength since the energy gap in such crystals is smaller than the photon energy of the used laser radiation. It was also found that the value of third order nonlinear optical susceptibility χ<3> for Cd0.70Mg0.30Se is higher than for Zn0.67Mg0.33Se. This behaviour can be understood if one take into consideration that the free carrier concentration in Cd1-xMgxSe samples is about four orders of magnitude higher than that in Zn1txMgxSe ones with comparable Mg content respectively. It is commonly known that when the electric conductivity increases, the values of nonlinear optical properties increase. From the performed measurements one can conclude that the incorporation of Mg as constituent into ZnSe and CdSe crystals leads to a change of the third order nonlinear optical susceptibilities.

  6. Generation of 13-fs pulses from a mode-locked Ti:Al2O3 laser with reduced third-order dispersion

    NASA Astrophysics Data System (ADS)

    Proctor, Bob; Wise, Frank

    1993-02-01

    The third-order dispersion of a mode-locked Ti:Al2O3 laser has been reduced by replacing a pair of flint glass prisms with a sequence of four quartz prisms. This allows transform-limited 13-fs pulses to be generated with a gain crystal 20 mm long. To date, these are the shortest pulses generated directly from a laser.

  7. A new modeling strategy for third-order fast high-performance liquid chromatographic data with fluorescence detection. Quantitation of fluoroquinolones in water samples.

    PubMed

    Alcaráz, Mirta R; Bortolato, Santiago A; Goicoechea, Héctor C; Olivieri, Alejandro C

    2015-03-01

    Matrix augmentation is regularly employed in extended multivariate curve resolution-alternating least-squares (MCR-ALS), as applied to analytical calibration based on second- and third-order data. However, this highly useful concept has almost no correspondence in parallel factor analysis (PARAFAC) of third-order data. In the present work, we propose a strategy to process third-order chromatographic data with matrix fluorescence detection, based on an Augmented PARAFAC model. The latter involves decomposition of a three-way data array augmented along the elution time mode with data for the calibration samples and for each of the test samples. A set of excitation-emission fluorescence matrices, measured at different chromatographic elution times for drinking water samples, containing three fluoroquinolones and uncalibrated interferences, were evaluated using this approach. Augmented PARAFAC exploits the second-order advantage, even in the presence of significant changes in chromatographic profiles from run to run. The obtained relative errors of prediction were ca. 10 % for ofloxacin, ciprofloxacin, and danofloxacin, with a significant enhancement in analytical figures of merit in comparison with previous reports. The results are compared with those furnished by MCR-ALS.

  8. 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.

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

    PubMed

    Chen, Yong; Yan, Zhenya

    2016-03-22

    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.

  10. 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

  11. 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.

  12. Detection and molecular characterization of an aster yellows phytoplasma in poker statice and Queen Anne's lace in Alberta, Canada.

    PubMed

    Chang, Kan-Fa; Hwang, Sheau-Fang; Khadhair, Abdul-Hameed; Kawchuk, Lawrence; Howard, Ronald

    2004-01-01

    Queen Anne's lace and poker statice plants were found with a yellows-type disease with typical phytoplasma symptoms in an experimental farm near Brooks, Alberta in 1996. Phytoplasma bodies were detected by transmission electron microscopy in phloem cells of symptomatic plants, but not in healthy plants. The presence of a phytoplasma was confirmed by analysis with the polymerase chain reaction. Using a pair of universal primer sequences derived from phytoplasma 16S rRNA, an amplified product of the expected size (1.2 kb) was observed in samples from infected plants, but not in asymptomatic plants. Sequence analysis of the PCR products from the 16S/23S rDNA intergenic spacer region indicated that the two phytoplasma isolates in Queen Anne's lace and poker statice are genetically closely related to the western aster yellows phytoplasma.

  13. 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

  14. 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

    2016-06-08

    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.

  15. Molecular Statics Calculations of Proton Binding to Goethite Surfaces: Thermodynamic Modeling of the Surface Charging and Protonation of Goethite in Aqueous Solution

    NASA Astrophysics Data System (ADS)

    Felmy, Andrew R.; Rustad, James R.

    1998-01-01

    Molecular statics calculations of proton binding at the hydroxylated faces of goethite are used to guide the development of a thermodynamic model which describes the surface charging properties of goethite in electrolyte solutions. The molecular statics calculations combined with a linear free energy relation between the energies of the hydroxylated surface and the aqueous solvated surface predict that the acidity constants for most singly (aqua or hydroxo), doubly (μ-hydroxo), and triply (μ 3-hydroxo or μ 3-oxo) coordinated surface sites all have similar values. This model which binds protons to the goethite 110 and 021 faces satisfactorily describes the surface charging behavior of goethite, if pair formation between bulk electrolyte species, i.e., Na +, Cl -, and NO 3-, is included in the model. Inclusion of minor species of quite different charging behavior (designed to describe the possible presence of defect species) did not improve our predictions of surface charge since the protonation of the major surface sites changed when these minor species were introduced into the calculations thereby negating the effect of small amounts of defect species on the overall charging behavior. The final thermodynamic model is shown to be consistent with the surface charging properties of goethite over a range of pH values, NaNO 3, and NaCl concentrations.

  16. 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.

  17. Third-order nonlinear optical responses in derivatives of phenylhydrazone by Z-scan and optical limiting studies-influence of noble metal nanoparticles

    NASA Astrophysics Data System (ADS)

    Sudheesh, P.; Siji Narendran, N. K.; Chandrasekharan, K.

    2013-12-01

    Here we report a study on the third-order nonlinear optical properties of a new class of phenylhydrazones and the influence of silver and gold metal nanoparticles on their nonlinear response. Metal nanoparticles were prepared by laser ablation method. Single beam Z-scan technique with a 7 ns, 10 Hz Nd: YAG laser pulses at 532 nm were employed for the measurements. The compounds exhibit well optical limiting properties. Hence, these compounds are a promising class of materials for the optical device applications.

  18. Third-order intermodulation distortion elimination of microwave photonics link based on integrated dual-drive dual-parallel Mach-Zehnder modulator.

    PubMed

    Li, Jian; Zhang, Yi-Chen; Yu, Song; Jiang, Tianwei; Xie, Qian; Gu, Wanyi

    2013-11-01

    A method to realize a highly linear microwave photonics link is proposed based on the dual-drive dual-parallel Mach-Zehnder modulator (MZM). The scheme theoretically eliminates third-order intermodulation distortion (IMD3) completely by taking all the sidebands in the optical spectrum that cause IMD3 into consideration. Without digital linearization and other optical processors, the method utilizes simple electrical signal phase control. Microwave signals are symmetrically single sideband modulated in the two MZMs. IMD3 suppression of approximately 30 dB is experimentally demonstrated, and the spurious-free dynamic range is improved by 12 dB·Hz2/3.

  19. 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.

  20. Mechano-optic logic gate controlled by third-order nonlinear optical properties in a rotating ZnO:Au thin film

    NASA Astrophysics Data System (ADS)

    Carrillo-Delgado, C.; García-Gil, C. I.; Trejo-Valdez, M.; Torres-Torres, C.; García-Merino, J. A.; Martínez-Gutiérrez, H.; Khomenko, A. V.; Torres-Martínez, R.

    2016-01-01

    Measurements of the third-order nonlinear optical properties exhibited by a ZnO thin solid film deposited on a SnO2 substrate are presented. The samples were prepared by a spray pyrolysis processing route. Scanning electron microscopy analysis and UV-Vis spectroscopy studies were carried out. The picosecond response at 1064 nm was explored by the z-scan technique. A large optical Kerr effect with two-photon absorption was obtained. The inhibition of the nonlinear optical absorption together with a noticeable enhancement in the optical Kerr effect in the sample was achieved by the incorporation of Au nanoparticles into the ZnO film. Additionally, a two-wave mixing configuration at 532 nm was performed and an optical Kerr effect was identified as the main cause of the nanosecond third-order optical nonlinearity. The relaxation time of the photothermal response of the sample was estimated to be about 1 s when the sample was excited by nanosecond single-shots. The rotation of the sample during the nanosecond two-wave mixing experiments was analyzed. It was stated that a non-monotonic relation between rotating frequency and pulse repetition rate governs the thermal contribution to the nonlinear refractive index exhibited by a rotating film. Potential applications for switching photothermal interactions in rotating samples can be contemplated. A rotary logic system dependent on Kerr transmittance in a two-wave mixing experiment was proposed.

  1. 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.

  2. Third-order nonlinear optical properties of organic azo dyes by using strength of nonlinearity parameter and Z-scan technique

    NASA Astrophysics Data System (ADS)

    Motiei, H.; Jafari, A.; Naderali, R.

    2017-02-01

    In this paper, two chemically synthesized organic azo dyes, 2-(2,5-Dichloro-phenyazo)-5,5-dimethyl-cyclohexane-1,3-dione (azo dye (i)) and 5,5-Dimethyl-2-tolylazo-cyclohexane-1,3-dione (azo dye (ii)), have been studied from optical Kerr nonlinearity point of view. These materials were characterized by Ultraviolet-visible spectroscopy. Experiments were performed using a continous wave diode-pumped laser at 532 nm wavelength in three intensities of the laser beam. Nonlinear absorption (β), refractive index (n2) and third-order susceptibility (χ (3)) of dyes, were calculated. Nonlinear absorption coefficient of dyes have been calculated from two methods; 1) using theoretical fits and experimental data in the Z-scan technique, 2) using the strength of nonlinearity curves. The values of β obtained from both of the methods were approximately the same. The results demonstrated that azo dye (ii) displays better nonlinearity and has a lower two-photon absorption threshold than azo dye (i). Calculated parameter related to strength of nonlinearity for azo dye (ii) was higher than azo dye (i), It may be due to presence of methyl in azo dye (ii) instead of chlorine in azo dye (i). Furthermore, The measured values of third order susceptibility of azo dyes were from the order of 10-9 esu . These azo dyes can be suitable candidate for optical switching devices.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Second and third order nonlinear optical properties of microrod ZnO films deposited on sapphire substrates by thermal oxidation of metallic zinc

    NASA Astrophysics Data System (ADS)

    Kulyk, B.; Essaidi, Z.; Luc, J.; Sofiani, Z.; Boudebs, G.; Sahraoui, B.; Kapustianyk, V.; Turko, B.

    2007-12-01

    We report the preparation of microcrystalline ZnO thin films on sapphire substrates using a simple method based on the thermal evaporation of metallic Zn in vacuum with further annealing process. The aim of annealing in the oxygen atmosphere in the range of 800-850°C was to obtain the high quality ZnO films. The surface morphology was studied by scanning electron microscopy and atomic force microscopy. The polycrystalline films with ZnO microrods at different stages of their growth were investigated. Second and third harmonic generation measurements were performed by means of the rotational Maker fringe technique using Nd:YAG laser at 1064nm in picosecond regime. The obtained values of second and third order nonlinear susceptibilities were found to be high enough for the potential applications of the investigated materials in the optical switching devices based on refractive index changes.

  9. Third-Order Nonlinear Optical Investigation of a Novel Material:. (hexadecyltrimethylammonium) BIS(4,5-DITHIOLE-1,3-DITHIOLE-2-THIONE)COPPER

    NASA Astrophysics Data System (ADS)

    Feng, L.; Wang, Y. L.; Ren, Q.; Zhang, G. H.; Yang, H. L.; Sun, X. B.

    A novel dmit2- salt: (hexadecyltrimethylammonium)bis(4,5-dithiolato-1,3-dithiole-2-thione)copper, abbreviated as HTCu, is synthesized and characterized for third-order optical nonlinearity by Z-scan technique at a wavelength of 1064 nm with laser duration of 30 ps. Z-scan spectra reveal a negative Kerr coefficient at 1064 nm and no nonlinear absorption was observed under this condition. The nonlinear refraction coefficient n2 and the second hyperpolarizability γ have been determined to be -1.51 × 10-11 and 1.36 × 10-30 esu, respectively, suggesting HTCu is a promising material for all-optical switching.

  10. On the Trellis structure of a (64,40,8) subcode of the (64,42,8) third-order Reed-Muller code

    NASA Technical Reports Server (NTRS)

    Moorthy, Hari T.; Lin, Shu; Uehara, Gregory

    1995-01-01

    A (64,40,8) subcode of the (64,42,8) third-order Reed-Muller code is proposed to NASA for high-speed satellite communications. This code can be either used alone or used as an inner-code in a concatenated coding system with the NASA standard (255,223,33) Reed-Solomon code as the outer code to achieve high performance with reduced decoding complexity. This Reed-Muller subcode has a relatively simple and parallel trellis structure and consequently can be decoded with a group of identical and relatively simple Viterbi decoders in parallel to achieve high-speed decoding. In this report, the complexities of various sectionalized trellis diagrams are analyzed. Based on this analysis, the trellis diagram with the smallest overall complexity will be used for the implementation of a high-speed decoder.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. Exploring electro-optic effect and third-order nonlinear optical susceptibility of impurity doped quantum dots: Interplay between hydrostatic pressure, temperature and noise

    NASA Astrophysics Data System (ADS)

    Ganguly, Jayanta; Saha, Surajit; Bera, Aindrila; Ghosh, Manas

    2017-03-01

    We study the profiles of electro-optic effect (EOE) and third-order nonlinear optical susceptibility (TONOS) of impurity doped GaAs quantum dots (QDs) under the combined influence of hydrostatic pressure (HP) and temperature (T) taking into account the presence of Gaussian white noise. Noise has been introduced to the system additively and multiplicatively. The doped dot has been subjected to a polarized monochromatic electromagnetic field. Effect of application of noise is elegantly reflected through prominent change of peak shift (blue/red) and variation of peak height (increase/ıdecrease) of above nonlinear optical (NLO) properties as temperature and pressure are varied over a range. Interestingly, all such changes subtly depend on mode of application (additive/multiplicative) of noise. The noteworthy influence of the interplay between noise strength and its mode of application on the said NLO properties has also been critically scrutinized. The findings highlight remarkable role played by noise in tuning above NLO properties of doped QD system under the prominent presence of both hydrostatic pressure and temperature.

  16. Numerical computation of spherical harmonics of arbitrary degree and order by extending exponent of floating point numbers: II first-, second-, and third-order derivatives

    NASA Astrophysics Data System (ADS)

    Fukushima, Toshio

    2012-11-01

    We confirm that the first-, second-, and third-order derivatives of fully-normalized Legendre polynomial (LP) and associated Legendre function (ALF) of arbitrary degree and order can be correctly evaluated by means of non-singular fixed-degree formulas (Bosch in Phys Chem Earth 25:655-659, 2000) in the ordinary IEEE754 arithmetic when the values of fully-normalized LP and ALF are obtained without underflow problems, for e.g., using the extended range arithmetic we recently developed (Fukushima in J Geod 86:271-285, 2012). Also, we notice the same correctness for the popular but singular fixed-order formulas unless (1) the order of differentiation is greater than the order of harmonics and (2) the point of evaluation is close to the poles. The new formulation using the fixed-order formulas runs at a negligible extra computational time, i.e., 3-5 % increase in computational time per single ALF when compared with the standard algorithm without the exponent extension. This enables a practical computation of low-order derivatives of spherical harmonics of arbitrary degree and order.

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

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    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 m2/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.

  18. 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.

  19. 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.

  20. Increase of third-order nonlinear optical activity of PbS quantum dots in zeolite Y by increasing cation size.

    PubMed

    Kim, Hyun Sung; Yoon, Kyung Byung

    2012-02-08

    The third-order nonlinear optical (3NLO) activity of PbS quantum dots (QDs) encapsulated in zeolite Y has been expected to depend sensitively on the countercation of the zeolite host. However, ion exchange of the pristine countercation, H(+), with other cations has not been possible because the framework decomposes and the QDs aggregate immediately when the PbS QD-incorporating zeolite Y with H(+) as the countercation is exposed to the atmosphere. We now report that when H(+) is transformed to NH(4)(+), the framework of PbS QD-containing zeolite Y does not undergo decomposition and the PbS QDs do not undergo aggregation to form larger QDs during the aqueous ion exchange of NH(4)(+) with alkali-metal ions (M(A)(+) = Li, Na(+), K(+), Rb(+)). The 3NLO activity of the M(A)(+)-exchanged PbS QD-incorporating zeolite Y film increases with increasing size of M(A)(+). The stabilization of the surface-bound exciton by the electron-rich framework oxide and electron-poor cation is proposed to be responsible for the increase. This is the first example of a method for systematically increasing the 3NLO activity of QDs dispersed in a dielectric matrix by systematically changing its properties. These results will serve as a guideline for future research and also promote applications of QD-incorporating zeolites in various fields.

  1. 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.

  2. Surface modification with multiphilic ligands at detectable well defined active positions of nano-object of giant wheel shaped molybdenum blue showing third-order nonlinear optical properties

    NASA Astrophysics Data System (ADS)

    Zhang, Lijuan; Li, Yuhao; Zhou, Yunshan

    2010-04-01

    The reaction of an aqueous solution of sodium molybdate with L-tyrosine in the presence of reducing agent results in the formation of a new compound of the formula of Na 8Co 3[Mo VI126 Mo V28O 462H 14(H 2O) 46(HOC 6H 4CH 2CH( NH3+)COO -) 12]·ca. 200H 2O. The compound contains nanosized ring-shaped clusters with tyrosine ligands possessing different types of functional groups (one -CO 2, one -NH3+ and one -ArOH) coordinated through the carboxylate groups at the active sites of the inner cavity. Importantly, the result demonstrates that not only active sites/areas of the cluster surface under a specified condition can be directly monitored and detected but also novel type surfaces within the cavity of a nano-structured ring-shaped cluster can be generated simultaneously. The nonlinear optical properties of the new cluster are studied using the well-known Z-scan technique at a wavelength of 532 nm with laser pulse duration of 18 ps. The results show that the new cluster exhibits interesting self-focusing nonlinear optical response with the real and imaginary parts of the third-order nonlinear optical susceptibility χ(3) being 1.069 × 10 -13(esu) and 2.529 × 10 -15(esu), respectively, which may find application in material science.

  3. 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.

  4. Studies on the growth aspects, structural and third-order nonlinear optical properties of Piperidinium 3-carboxy-4-hydroxy benzenesulfonate single crystal

    NASA Astrophysics Data System (ADS)

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

    2017-02-01

    Organic nonlinear optical material Piperidinium 3-carboxy-4-hydroxy benzenesulfonate (PBS) single crystal was successfully grown by solution growth method. Single crystal X-ray diffraction study confirms that, the grown crystal belongs to P21/n space group. The crystalline quality of PBS was ascertained by HRXRD studies. Infrared spectral analysis showed the vibrational behaviour of chemical bonds and presence of its functional groups. TG/DTA studies were used to study the thermal stability and decomposition stages of the compound. UV-visible transmittance studies showed the transparency region, cut-off wavelength and band gap of the grown crystal. Photoluminescence emission study was carried out for the grown crystal to show its electronic properties. By using Nd:YAG laser, the laser damage threshold was estimated for the grown crystal. The third-order nonlinear optical parameters of the grown crystal were estimated by Z-scan technique using He-Ne laser source. The mechanical property of the PBS crystal was studied by using Vicker's microhardness measurement.

  5. 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.

  6. Third-Order Incremental Dual-Basis Set Zero-Buffer Approach: An Accurate and Efficient Way To Obtain CCSD and CCSD(T) Energies.

    PubMed

    Zhang, Jun; Dolg, Michael

    2013-07-09

    An efficient way to obtain accurate CCSD and CCSD(T) energies for large systems, i.e., the third-order incremental dual-basis set zero-buffer approach (inc3-db-B0), has been developed and tested. This approach combines the powerful incremental scheme with the dual-basis set method, and along with the new proposed K-means clustering (KM) method and zero-buffer (B0) approximation, can obtain very accurate absolute and relative energies efficiently. We tested the approach for 10 systems of different chemical nature, i.e., intermolecular interactions including hydrogen bonding, dispersion interaction, and halogen bonding; an intramolecular rearrangement reaction; aliphatic and conjugated hydrocarbon chains; three compact covalent molecules; and a water cluster. The results show that the errors for relative energies are <1.94 kJ/mol (or 0.46 kcal/mol), for absolute energies of <0.0026 hartree. By parallelization, our approach can be applied to molecules of more than 30 atoms and more than 100 correlated electrons with high-quality basis set such as cc-pVDZ or cc-pVTZ, saving computational cost by a factor of more than 10-20, compared to traditional implementation. The physical reasons of the success of the inc3-db-B0 approach are also analyzed.

  7. Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C-H Region of DMSO as a Case Study

    SciTech Connect

    Fischer, Sean A.; Ueltschi, Tyler W.; El-Khoury, Patrick Z.; Mifflin, Amanda L.; Hess, Wayne P.; Wang, Hongfei; Cramer, Christopher J.; Govind, Niranjan

    2016-03-03

    Carbon-hydrogen (C-H) vibration modes serve as key probes in the chemical iden- tication of hydrocarbons and in vibrational sum-frequency generation (SFG) spec- *troscopy of hydrocarbons at the liquid/gas interface. Their assignments pose a chal- lenge from a theoretical viewpoint. In this work, we present a detailed study of the C-H stretching region of dimethyl sulfoxide (DMSO) using a new Gaussian basis set- based ab initio molecular dynamics (AIMD) module that we have implemented in the NWChem computational chemistry program. By combining AIMD simulations and static normal mode analysis, we interpret experimental infrared and Raman spectra and explore the role of anharmonic effects in this system. Our anharmonic normal mode analysis of the in-phase and out-of-phase symmetric C-H stretching modes chal- lenges the previous experimental assignment of the shoulder in the symmetric C-H stretching peak as an overtone or Fermi resonance. In addition, our AIMD simulations also show signicant broadening of the in-phase symmetric C-H stretching resonance, which suggests that the experimentally observed shoulder is due to thermal broadening of the symmetric stretching resonance.

  8. Molecular statics calculations of proton binding to goethite surfaces: A new approach to estimation of stability constants for multisite surface complexation models

    NASA Astrophysics Data System (ADS)

    Rustad, James R.; Felmy, Andrew R.; Hay, Benjamin P.

    1996-05-01

    A new approach to estimating stability constants for proton binding in multisite surface complexation models is presented. The method is based on molecular statics computation of energies for the formation of proton vacancies and interstitials in ideal periodic slabs representing the (100), (110), (010), (001), and (021) surfaces of goethite. Gas-phase energies of clusters representing the hydrolysis products of ferric iron are calculated using the same potential energy functions used for the surface. These energies are linearly related to the hydrolysis constants for ferric iron in aqueous solution. Stability constants for proton binding at goethite surfaces are estimated by assuming the same log K- Δ E relationship for goethite surface protonation reactions. These stability constants predict a pH of zero charge of 8.9, in adequate agreement with measurements on CO 2-free goethite. The estimated stability constants differ significantly from previous estimations based on Pauling bond strength. We find that nearly all the surface oxide ions are reactive; nineteen of the twenty-six surface sites investigated have log Kint between 7.7 and 9.4. This implies a site density between fifteen and sixteen reactive sites/nm for crystals dominated by (110) and (021) crystal faces.

  9. 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

    2017-01-01

    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.

  10. Simulation of Boundary-Layer Cumulus and Stratocumulus Clouds using a Cloud-Resolving Model With Low- and Third-Order Turbulence Closures

    NASA Technical Reports Server (NTRS)

    Xu, Kuan-Man; Cheng, Anning

    2007-01-01

    The effects of subgrid-scale condensation and transport become more important as the grid spacings increase from those typically used in large-eddy simulation (LES) to those typically used in cloud-resolving models (CRMs). Incorporation of these effects can be achieved by a joint probability density function approach that utilizes higher-order moments of thermodynamic and dynamic variables. This study examines how well shallow cumulus and stratocumulus clouds are simulated by two versions of a CRM that is implemented with low-order and third-order turbulence closures (LOC and TOC) when a typical CRM horizontal resolution is used and what roles the subgrid-scale and resolved-scale processes play as the horizontal grid spacing of the CRM becomes finer. Cumulus clouds were mostly produced through subgrid-scale transport processes while stratocumulus clouds were produced through both subgrid-scale and resolved-scale processes in the TOC version of the CRM when a typical CRM grid spacing is used. The LOC version of the CRM relied upon resolved-scale circulations to produce both cumulus and stratocumulus clouds, due to small subgrid-scale transports. The mean profiles of thermodynamic variables, cloud fraction and liquid water content exhibit significant differences between the two versions of the CRM, with the TOC results agreeing better with the LES than the LOC results. The characteristics, temporal evolution and mean profiles of shallow cumulus and stratocumulus clouds are weakly dependent upon the horizontal grid spacing used in the TOC CRM. However, the ratio of the subgrid-scale to resolved-scale fluxes becomes smaller as the horizontal grid spacing decreases. The subcloud-layer fluxes are mostly due to the resolved scales when a grid spacing less than or equal to 1 km is used. The overall results of the TOC simulations suggest that a 1-km grid spacing is a good choice for CRM simulation of shallow cumulus and stratocumulus.

  11. CFHTLenS: a Gaussian likelihood is a sufficient approximation for a cosmological analysis of third-order cosmic shear statistics

    NASA Astrophysics Data System (ADS)

    Simon, P.; Semboloni, E.; van Waerbeke, L.; Hoekstra, H.; Erben, T.; Fu, L.; Harnois-Déraps, J.; Heymans, C.; Hildebrandt, H.; Kilbinger, M.; Kitching, T. D.; Miller, L.; Schrabback, T.

    2015-05-01

    We study the correlations of the shear signal between triplets of sources in the Canada-France-Hawaii Telescope Lensing Survey (CFHTLenS) to probe cosmological parameters via the matter bispectrum. In contrast to previous studies, we adopt a non-Gaussian model of the data likelihood which is supported by our simulations of the survey. We find that for state-of-the-art surveys, similar to CFHTLenS, a Gaussian likelihood analysis is a reasonable approximation, albeit small differences in the parameter constraints are already visible. For future surveys we expect that a Gaussian model becomes inaccurate. Our algorithm for a refined non-Gaussian analysis and data compression is then of great utility especially because it is not much more elaborate if simulated data are available. Applying this algorithm to the third-order correlations of shear alone in a blind analysis, we find a good agreement with the standard cosmological model: Σ _8=σ _8(Ω _m/0.27)^{0.64}=0.79^{+0.08}_{-0.11} for a flat Λ cold dark matter cosmology with h = 0.7 ± 0.04 (68 per cent credible interval). Nevertheless our models provide only moderately good fits as indicated by χ2/dof = 2.9, including a 20 per cent rms uncertainty in the predicted signal amplitude. The models cannot explain a signal drop on scales around 15 arcmin, which may be caused by systematics. It is unclear whether the discrepancy can be fully explained by residual point spread function systematics of which we find evidence at least on scales of a few arcmin. Therefore we need a better understanding of higher order correlations of cosmic shear and their systematics to confidently apply them as cosmological probes.

  12. 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.

  13. 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.

  14. The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: efficient implementation and benchmarking.

    PubMed

    Harbach, Philipp H P; Wormit, Michael; Dreuw, Andreas

    2014-08-14

    The implementation of an efficient program of the algebraic diagrammatic construction method for the polarisation propagator in third-order perturbation theory (ADC(3)) for the computation of excited states is reported. The accuracies of ADC(2) and ADC(3) schemes have been investigated with respect to Thiel's recently established benchmark set for excitation energies and oscillator strengths. The calculation of 141 vertical excited singlet and 71 triplet states of 28 small to medium-sized organic molecules has revealed that ADC(3) exhibits mean error and standard deviation of 0.12 ± 0.28 eV for singlet states and -0.18 ± 0.16 eV for triplet states when the provided theoretical best estimates are used as benchmark. Accordingly, the ADC(2)-s and ADC(2)-x calculations revealed accuracies of 0.22 ± 0.38 eV and -0.70 ± 0.37 eV for singlets and 0.12 ± 0.16 eV and -0.55 ± 0.20 eV for triplets, respectively. For a comparison of CC3 and ADC(3), only non-CC3 benchmark values were considered, which comprise 84 singlet states and 19 triplet states. For these singlet states CC3 exhibits an accuracy of 0.23 ± 0.21 eV and ADC(3) an accuracy of 0.08 ± 0.27 eV, and accordingly for the triplet states of 0.12 ± 0.10 eV and -0.10 ± 0.13 eV, respectively. Hence, based on the quality of the existing benchmark set it is practically not possible to judge whether ADC(3) or CC3 is more accurate, however, ADC(3) has a much larger range of applicability due to its more favourable scaling of O(N(6)) with system size.

  15. 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

  16. 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.

  17. Influence of applied electric fields on the electron-related second and third-order nonlinear optical responses in two dimensional elliptic quantum dots

    NASA Astrophysics Data System (ADS)

    Giraldo-Tobón, Eugenio; Ospina, Walter; Miranda-Pedraza, Guillermo L.; Mora-Ramos, Miguel E.

    2015-07-01

    The coefficients of the second-order nonlinear optical rectification and the generation of second and third harmonics, related to electron energy transitions in a two-dimensional elliptical quantum dot are calculated. The conduction band states are obtained using the finite element method to numerically solve the effective mass Schrödinger differential equation in the parabolic approximation, including the influence of an externally applied static electric field. It comes about that the geometry of the ellipse has a strong influence on the optical response, being the large eccentricity case the more favorable one. Furthermore, it is shown that the application of an electric field is of most importance for achieving well-resolved higher harmonics signals.

  18. Third-Order Nonlinear Optical Property of POLY(HEXA-2,4-DIYNYLENE-1,6-DIOXYDICINNAMATE) Containing a Polar Azo Dye, Determined by Z-Scan Technique

    NASA Astrophysics Data System (ADS)

    Ortega, Alejandra; Perez-Martinez, Ana Laura; Ogawa, Takeshi; Smith, Francis; Walser, Ardie; Dorsinville, Roger

    A highly-conjugated polar dye with three aromatic rings connected with azo groups was prepared and it was incorporated in polycinnamate. It showed a third-order nonlinear susceptibility of 8 × 10-10 esu determined by a Z-scan technique. The unpoled and poled films show the same susceptibility indicating the polymer film could not be poled. The open aperture Z-scan showed negligible two-photon absorption at 1064 nm.

  19. 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.

  20. 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.

  1. New skeletal 3D polymeric inorganic cluster [W4S16Cu16Cl16]n with Cu in mixed-valence states: solid-state synthesis, crystal structure, and third-order nonlinear optical properties.

    PubMed

    Cai, Ya; Wang, Yan; Li, Yizhi; Wang, Xiaoshu; Xin, Xinquan; Liu, Caiming; Zheng, Hegen

    2005-12-12

    A new 3D polymeric inorganic cluster with Cu in mixed-valence states was synthesized by the solid-state reaction of (NH4)2WS4, S8, CuCl, and Et4NCl; S8 may be regarded as the oxidizing agent converting Cu(I) to Cu(II) and causing the polymerization of [WS4]2-. The third-order nonlinear optical (NLO) properties are determined, and the results show that the cluster exhibits both large NLO absorptive and strong refractive behaviors.

  2. Nanomechanics Model for Static Equilibrium

    NASA Astrophysics Data System (ADS)

    Jung, Sunghoon

    2002-09-01

    This study presented a computational technique to model and simulate atomistic behavior of materials under static loads, Interatomic potential energy was used to maintain equilibrium among atoms under static loads and constraints, In addition, the atomistic model was coupled with the finite element analysis model so that more flexible loads and constraints could be applied to the atomistic model A multi-scale technique was also presented for some single wall nanotubes of both zigzag and armchair and then their effective stiffness were estimated Those designed nanotubes are woven into fabric composites, which can be used in various military applications including body armored, vehicles, and infantry transportation vehicles because advanced nano- composites could be much lighter and stronger than current ones, Some example problems were presented to illustrate the developed technique for the nano-composites and SWNTs, The proposed technique for nanomechanics can be used for design and analysis of materials at the atomic or molecular level,

  3. Fabrication and performance study of electro-optical modulator and third order nonlinearity using unidirectional method (Sankaranarayanan-Ramasamy) grown Imidazolium L-Tartrate <0 1 0> single crystal

    NASA Astrophysics Data System (ADS)

    Elavarasu, N.; Karuppusamy, S.; Muralidharan, S.; Anantharaja, M.; Gopalakrishnan, R.

    2015-08-01

    The results of electro-optical modulator and third order nonlinearity of an organic single crystal of Imidazolium L-tartrate (IMLT) <0 1 0> grown by unidirectional growth method of Sankaranarayanan-Ramasamy (SR) are discussed for the first time in literature. The grown IMLT seed crystals were characterized by single crystal XRD and the lattice parameters were confirmed. The UV-Visible transmittance analysis shows that SR method grown IMLT single crystal possesses good transmittance in the entire visible region with a low cut-off wavelength at 240 nm. The mechanical study on the (0 1 0) plane of the IMLT single crystal analyzed by Vickers microhardness tester reveals the moderate hardness of the material. Photoconductivity studies on pure IMLT single crystal enumerated the positive photoconducting nature. Refractive index of the IMLT single crystal was determined by Brewster angle method. Second Harmonic Generation (SHG) efficiency of IMLT is 4.3 times greater than the standard Potassium Dihydrogen Phosphate (KDP) crystal. Nonlinear refractive index (n2), nonlinear absorption coefficient (β) and third-order nonlinear optical susceptibility χ(3) were evaluated using Z-scan method. The half wave voltage and electro-optical coefficient of IMLT crystal were determined using polarimetric technique. The electro-optical coefficient (r12) of IMLT is found to be greater than that of KDP crystal which represents the suitability of IMLT crystal to design the electro-optical modulator with low half wave voltage for nonlinear optical applications.

  4. 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.

  5. Static dielectric constants and molecular dipole distributions of liquid water and ice-Ih investigated by the PAW-PBE exchange-correlation functional.

    PubMed

    Rusnak, Andrew J; Pinnick, Eric R; Calderon, Camilo E; Wang, Feng

    2012-07-21

    The static dielectric constants, ε(s), of ice-Ih and liquid water were calculated using density functional theory with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional and the projector-augmented-wave (PAW) approach. Proton disordered ice configurations and uncorrelated liquid configurations were sampled with the electrostatic switching method using force fields specially designed to facilitate the ab initio free energy perturbation calculations. Our results indicate that PAW-PBE underestimates the ε(s) of both ice-Ih and liquid water but predicts the ratio of ice and water ε(s) in good agreement with experimental measurements. PAW-PBE gives average water dipole moments of 2.50 D in ice-Ih and 2.48 D in the liquid. Our results show that the fixed-charge water models developed by adaptive force matching can reproduce the PAW-PBE dipole moments with an error of approximately 5%. The ice and liquid models created in this work have polarizabilities of 1.32 Å(3) and 1.30 Å(3), respectively, along the HOH bisector direction.

  6. Third order digital-to-analog converter

    NASA Technical Reports Server (NTRS)

    Dotson, W. P.

    1972-01-01

    System, consisting of sample and hold digital-to-analog converter, clock circuit, sample delay circuit, initial condition circuit and interpolator circuit, improves accuracy of reconstructed analog signal without increasing sample rates.

  7. 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.

  8. Dispersion potential between three-bodies with arbitrary electric multipole polarizabilities: molecular QED theory.

    PubMed

    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.

  9. Static and dynamic polarizability and the Stark and blackbody-radiation frequency shifts of the molecular hydrogen ions H2+, HD+, and D2+

    NASA Astrophysics Data System (ADS)

    Schiller, S.; Bakalov, D.; Bekbaev, A. K.; Korobov, V. I.

    2014-05-01

    We calculate the dc Stark effect for three molecular hydrogen ions in the nonrelativistic approximation. The effect is calculated both in dependence on the rovibrational state and in dependence on the hyperfine state. We discuss special cases and approximations. We also calculate the ac polarizabilities for several rovibrational levels and therefrom evaluate accurately the blackbody radiation shift, including the effects of excited electronic states. The results enable the detailed evaluation of certain systematic shifts of the transitions frequencies for the purpose of ultrahigh-precision optical, microwave, or radio-frequency spectroscopy in ion traps.

  10. Chemical Theory and Computation Special Feature: Static and dynamic quantum effects in molecular liquids: A linearized path integral description of water

    NASA Astrophysics Data System (ADS)

    Aage Poulsen, Jens; Nyman, Gunnar; Rossky, Peter J.

    2005-05-01

    Structure, transport properties, and IR spectra including quantum effects are calculated for a flexible simple point charge model of liquid water. A recently introduced combination of a variational local harmonic description of the liquid potential surface and the classical Wigner approximation for the dynamics is used. The potential energy and interatomic radial distribution functions are in good agreement with accurate results from the literature and are significantly closer to experiment than predictions found from classical theory. The oxygen and hydrogen velocity correlation functions are also calculated, and the corresponding molecular diffusion coefficient is in good accord with existing theoretical estimates including quantum effects. Of most interest, an ab initio quantum correction factor is obtained to correct the far IR spectrum of water. When corrected, a spectrum based on a classical simulation yields results that agree well with experiment. Combined with internal tests of consistency, these observations indicate that this quite flexible approach will be effective for a variety of molecular problems involving the dynamics of light nuclei. computer simulation | liquid dynamics

  11. 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.

  12. 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

    2015-03-06

    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.

  13. Spectroscopic and DFT-based computational studies on the molecular electronic structural characteristics and the third-order nonlinear property of an organic NLO crystal: (E)-N‧-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide

    NASA Astrophysics Data System (ADS)

    Sasikala, V.; Sajan, D.; Joseph, Lynnette; Balaji, J.; Prabu, S.; Srinivasan, P.

    2017-04-01

    Single crystals of (E)-N‧-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide (CBMBSH) have been grown by slow evaporation crystal growth method. The structure stabilizing intramolecular donor-acceptor interactions and the presence of the Nsbnd H⋯O, Csbnd H⋯O and Csbnd H⋯C(π) hydrogen bonds in the crystal were confirmed by vibrational spectroscopic and DFT methods. The linear optical absorption characteristics of the solvent phase of CBMBSH were investigated using UV-Vis-NIR spectroscopic and TD-DFT approaches. The 2PA assisted RSA nonlinear absorption and the optical limiting properties of CBMBSH were studied using the open-aperture Z-scan method. The topological characteristics of the electron density have been determined using the quantum theory of atoms in molecules method.

  14. 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…

  15. 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.

  16. A new third-order sequence stratigraphic framework applied to the Triassic of the Paraná Basin, Rio Grande do Sul, Brazil, based on structural, stratigraphic and paleontological data

    NASA Astrophysics Data System (ADS)

    Horn, B. L. D.; Melo, T. M.; Schultz, C. L.; Philipp, R. P.; Kloss, H. P.; Goldberg, K.

    2014-11-01

    The Santacruzodon assemblage zone was originally defined as a vertebrate fossil assemblage composed basically of non-mammalian cynodonts found in Santa Cruz do Sul and Venâncio Aires municipalities in Southern Brazil. This assemblage zone was positioned at the top of the Sequence I, in the Triassic Santa Maria Supersequence, Paraná Basin. However, the Santacruzodon assemblage zone does not occur across the entire area of the Santa Maria Supersequence. Based on new paleontological, structural and sedimentological data, we propose the existence of a new third-order sequence (Santa Cruz Sequence) between Sequences I and II in the Santa Maria Supersequence. Satellite image analysis was used to identify regional, NW- and NE-oriented lineaments that limit the occurrence zone. Outcrop data allowed the identification of a regional, angular unconformity that bounds the new sequence. The faunal content allowed the correlation of the new Santa Cruz Sequence with Madagascar's Isalo II fauna, corresponding to the Ladinian (Middle Triassic). New names were suggested for the sequences in the Santa Maria Supersequence, since the Santa Cruz Sequence was deposited between the former Sequences I and II. This unit was deposited or preserved exclusively on the hanging wall of normal faults, being absent from the adjacent structural blocks.

  17. Doping effect of L-cystine on structural, UV-visible, SHG efficiency, third order nonlinear optical, laser damage threshold and surface properties of cadmium thiourea acetate single crystal

    NASA Astrophysics Data System (ADS)

    Azhar, S. M.; Anis, Mohd; Hussaini, S. S.; Kalainathan, S.; Shirsat, M. D.; Rabbani, G.

    2017-01-01

    The present article is focused to investigate the influence of L-cystine (LC) on linear-non-linear optical and laser damage threshold of cadmium thiourea acetate (CTA) crystal. The structural parameters of pure and LC doped CTA crystals have been determined using the single crystal X-ray diffraction technique. The functional groups of grown crystals have been identified by means of fourier transform infrared (FT-IR) analysis. The UV-visible spectral analysis has been done in the range of 200-900 nm to ascertain the uplifting influence of LC on optical properties of CTA crystal. The second harmonic generation (SHG) efficiency of LC doped CTA crystal is found to be higher than CTA and KDP crystal. The Z-scan technique has been employed to determine the third order nonlinear optical (TONLO) nature of LC doped CTA crystal at 632.8 nm. The self focusing tendency confirmed the strong kerr lensing ability of LC doped CTA crystal. The TONLO susceptibility (χ3), refraction (n2) and absorption coefficient (β) has been calculated using the Z-scan data. The laser damage threshold of pure and LC doped CTA crystals has been measured using the Q-switched Nd:YAG laser and its is found to be in range of GW/cm2. The surface analysis has been done by means of etching studies.

  18. 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…

  19. CAI Applications in Statics.

    ERIC Educational Resources Information Center

    Nelson, Clayton C.; And Others

    1986-01-01

    Describes a statics course developed at Texas A&M University in the engineering curriculum which utilizes computer-assisted instruction. Discusses the organization and management of the team that developed the course, the selection of the hardware and software used, and the implementation model and lesson prototype developed for the course.…

  20. Error Control for Molecular Statics Problems

    DTIC Science & Technology

    2005-08-11

    of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering...dentation, atomic friction, etc., to name just a few [19,1]. However, many of the existing methods to date, to the best knowledge of the authors, lack some...an open bounded set of Rd with boundary ∂Ω. We also assume that the atoms lying on ∂Ω are all ascribed essential boundary conditions in the form ui

  1. Preparation, crystal structure, spectrographic characterization, thermal and third-order nonlinear optical properties of benzyltriethylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) for all-optical switching applications

    NASA Astrophysics Data System (ADS)

    Wang, X. Q.; Ren, Q.; Chen, J. W.; Yu, W. T.; Fang, H. L.; Li, T. B.; Cong, H. J.; Liu, X. T.; Zhu, L. Y.; Zhang, G. H.; Xu, D.

    2011-05-01

    The preparation and crystal structure of a novel nonlinear optical organometallic crystal, benzyltriethylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) (BTEAADT), are described. The crystal was characterized by elemental analyses, infrared and X-ray powder diffraction spectroscopy, thermal analysis and optical absorption. A typical highly optical quality single crystal with dimensions of about 30 × 3 × 3 mm 3 has been grown from an acetone solution by the solvent evaporation method. The specific heat of the crystal was measured to be 692.0 J mol -1 K -1 at 300 K. The thin film of BTEAADT doped into poly(methyl methacrylate) (PMMA) with a concentration of 1 wt% was prepared using spin-coating method. The linear properties of the thin film were investigated by a prism coupler. The third-order nonlinear optical properties of BTEAADT doped PMMA film was investigated by using the laser Z-scan technique with 20 ps pulses at 1064 nm. A large negative nonlinear refraction and no nonlinear absorption have been observed. The refractive index and the thickness of the film are 1.4682 and 1.15 μm, respectively. The nonlinear refractive index is calculated to be -3.978 × 10 -15m 2/W for the film. At the same time, the nonlinear absorption coefficient is 0. Two figures of merit, W and T of the film, were calculated to be |W| = 1.07 > 1, |T| = 0 << 1. All results show that BTEAADT crystal has very potential applications on all-optical switching.

  2. Determination of the acoustoelastic coefficient for surface acoustic waves using dynamic acoustoelastography: an alternative to static strain.

    PubMed

    Ellwood, R; Stratoudaki, T; Sharples, S D; Clark, M; Somekh, M G

    2014-03-01

    The third-order elastic constants of a material are believed to be sensitive to residual stress, fatigue, and creep damage. The acoustoelastic coefficient is directly related to these third-order elastic constants. Several techniques have been developed to monitor the acoustoelastic coefficient using ultrasound. In this article, two techniques to impose stress on a sample are compared, one using the classical method of applying a static strain using a bending jig and the other applying a dynamic stress due to the presence of an acoustic wave. Results on aluminum samples are compared. Both techniques are found to produce similar values for the acoustoelastic coefficient. The dynamic strain technique however has the advantages that it can be applied to large, real world components, in situ, while ensuring the measurement takes place in the nondestructive, elastic regime.

  3. 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.

  4. 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.

  5. 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.

  6. Static Properties of Skyrmions

    NASA Astrophysics Data System (ADS)

    Adkins, Gregory S.

    The following sections are included: * INTRODUCTION * CHIRAL FIELD THEORY * The Skyrme Lagrangian * Topological Solitons * Symmetries and Currents * THE SKYRMION * The Hedgehog * The Shape Function * The Rotating Soliton * QUANTIZATION * Quantization and Wave Functions * Matrix Elements * STATIC PROPERTIES * Masses * Sizes and Magnetic Moments * Electric and Magnetic Transition Elements * Axial Coupling and the Goldberger-Treiman Relation * More Results and Predictions * DISCUSSION AND CONCLUSIONS * APPENDIX A: NOTATION * APPENDIX B: PAULI MATRIX ALGEBRA * APPENDIX C: THE ADJOINT REPRESENTATION OF SU(2) * APPENDIX D: A FEW USEFUL FACTS * ACKNOWLEDGEMENTS * REFERENCES

  7. 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

  8. Dynamic and static moduli

    NASA Astrophysics Data System (ADS)

    Cheng, C. H.; Johnston, David H.

    1981-01-01

    Static and dynamic bulk moduli (Ks and Kd) are measured as continuous functions of pressure from zero to 2-3 kilobars for two sandstones, a tuff, limestone, granite, and oil shale. Results for the sandstones and granite are in good agreement with previously reported data with Ks/Kd varying from about 0.5 at atmospheric pressure to close to unity at pressures 2 kilobars and above. For rocks behaving elastically under static loading, the Ks/Kd ratio is inversely related to the microcrack density. For the limestone, time dependent deformation associated with pore collapse results in Ks/Kd ratios approaching 0.1 at high pressure. Upon unloading, while initially high ( ˜ 1.0) at high pressures, Ks/Kd becomes lower than values obtained during loading at low pressures ( < 1 kilobar) due to opening of microcracks generated during pore collapse. For the oil shale, in which few microcracks exist, Ks/Kd remains relatively constant with pressure at a value of about 0.7.

  9. 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.

  10. 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.

  11. Contribution of cathodoluminescence to the knowledge of manganese speciation into pelagic limestones. Determination of the control of sea-level variations on third-order sequences during the Upper JurassicApport de la cathodoluminescence à la connaissance de la spéciation du manganèse dans les carbonates pélagiques

    NASA Astrophysics Data System (ADS)

    de Rafélis, Marc; Renard, Maurice; Emmanuel, Laurent; Durlet, Christophe

    2000-03-01

    Mn contents analysis of pelagic carbonates from the Upper Jurassic of the Vocontian trough (Châteauneuf-d'Oze section, Hautes-Alpes) allowed the definition of six third-order eustatic sequences that agree with the chronostratigraphic chart [17]. Cathodoluminescence intensity enables a semi-quantitative approach of Mn trapped in the calcite lattice; thus, CL-results show that most of Mn is found in the pelagic limestones as Mn 2+. The Mn content variations observed in the low stands (low Mn contents) and in the high-stand systems tract samples (high Mn contents) reflect the sea water Mn content variations, which appear to be linked to the hydrothermal activity, especially by the ocean ridge. In the Vocontian realm, third-order sequences of the Upper Jurassic seem to be controlled by tectono-eustatism.

  12. The construction of a third-order secular analytical J-S-U-N theory by the Hori-Lie technique. Part 2: Determination of (F1s, F2s, F3s) and (F1c, F2c)

    NASA Astrophysics Data System (ADS)

    Bakry, Abdel Aziz; Kamel, Osman M.; Waziry, Salwa M.

    1993-10-01

    We expand both parts, the principal and indirect, of the Hamiltonian function up to the third order in the masses for the four major planets Jupiter-Saturn-Uranus-Neptune. Accordingly we write down the secular terms of F1, F2, F3 and the critical terms of F1, F2 in terms of the canonical variables of H. Poincare neglecting powers higher than the second in H, K, P, Q.

  13. Predicting the nonlinear optical response in the resonant region from the linear characterization: a self-consistent theory for the first-, second-, and third-order (non)linear optical response

    NASA Astrophysics Data System (ADS)

    Pérez-Moreno, Javier; Clays, Koen; Kuzyk, Mark G.

    2010-08-01

    We introduce a self-consistent theory for the description of the optical linear and nonlinear response of molecules that is based strictly on the results of the experimental characterization. We show how the Thomas-Kuhn sum-rules can be used to eliminate the dependence of the nonlinear response on parameters that are not directly measurable. Our approach leads to the successful modeling of the dispersion of the nonlinear response of complex molecular structures with different geometries (dipolar and octupolar), and can be used as a guide towards the modeling in terms of fundamental physical parameters.

  14. Static and Dynamic Viscosity of a Single Layer Dusty Plasma

    SciTech Connect

    Hartmann, Peter; Sandor, Mate Cs.; Kovacs, Aniko; Donko, Zoltan

    2011-11-29

    We measured the static and dynamic (complex) shear viscosity of a single layer complex plasma by applying, respectively, a stationary and a periodically modulated shear stress induced by the light pressure of manipulating laser beams. Under static conditions the shear viscosity reproduced the numerically predicted shear rate dependence, the so called shear-thinning effect. Under oscillating shear both the magnitude and the ratio of the dissipative and elastic contributions to the complex viscosity show strong frequency dependence. Accompanying molecular dynamics simulations explain and support the experimental observations.

  15. 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.

  16. 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.

  17. 49 CFR Appendix H to Part 229 - Static Noise Test Protocols-In-Cab Static

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 4 2012-10-01 2012-10-01 false Static Noise Test Protocols-In-Cab Static H... Appendix H to Part 229—Static Noise Test Protocols—In-Cab Static This appendix prescribes the procedures for the in-cab static measurements of locomotives. I. Measurement Instrumentation The...

  18. 49 CFR Appendix H to Part 229 - Static Noise Test Protocols-In-Cab Static

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 4 2011-10-01 2011-10-01 false Static Noise Test Protocols-In-Cab Static H... Appendix H to Part 229—Static Noise Test Protocols—In-Cab Static This appendix prescribes the procedures for the in-cab static measurements of locomotives. I. Measurement Instrumentation The...

  19. Dispersion of nonresonant third-order nonlinearities in Silicon Carbide

    PubMed Central

    De Leonardis, Francesco; Soref, Richard A.; Passaro, Vittorio M. N.

    2017-01-01

    In this paper we present a physical discussion of the indirect two-photon absorption (TPA) occuring in silicon carbide with either cubic or wurtzite structure. Phonon-electron interaction is analyzed by finding the phonon features involved in the process as depending upon the crystal symmetry. Consistent physical assumptions about the phonon-electron scattering mechanisms are proposed in order to give a mathematical formulation to predict the wavelength dispersion of TPA and the Kerr nonlinear refractive index n2. The TPA spectrum is investigated including the effects of band nonparabolicity and the influence of the continuum exciton. Moreover, a parametric analysis is presented in order to fit the experimental measurements. Finally, we have estimated the n2 in a large wavelength range spanning the visible to the mid-IR region. PMID:28098223

  20. Third-order Nonlinear Optical Properties of Metallodielectric Stacks

    DTIC Science & Technology

    2011-07-01

    developed by Sheik- Bahae et al [7] a (Gaussian) laser beam is focused in free space; a sample is positioned along the propagation (Z) axis of the laser...transmittance and reflectance coefficients are defined for any angle of incidence as 22 0 ||,|| cos cos rRt n n T i tt    ; (2) i  and t are...nonlinear coefficient,    4 2 2 i n  , has a complex value. The longitudinal component of the Poynting vector was used in Eq. (11). The Kerr

  1. Third order difference equations with two rational integrals

    NASA Astrophysics Data System (ADS)

    Sahadevan, R.; Maheswari, C. Uma

    2009-10-01

    A systematic investigation to derive three-dimensional analogs of two-dimensional Quispel, Roberts and Thompson (QRT) mappings is presented. The question of integrability of the obtained three-dimensional mappings with two independent integrals is also analyzed. It is also shown that there exist three-dimensional QRT maps with three n-dependent integrals.

  2. Dispersion of nonresonant third-order nonlinearities in Silicon Carbide.

    PubMed

    De Leonardis, Francesco; Soref, Richard A; Passaro, Vittorio M N

    2017-01-18

    In this paper we present a physical discussion of the indirect two-photon absorption (TPA) occuring in silicon carbide with either cubic or wurtzite structure. Phonon-electron interaction is analyzed by finding the phonon features involved in the process as depending upon the crystal symmetry. Consistent physical assumptions about the phonon-electron scattering mechanisms are proposed in order to give a mathematical formulation to predict the wavelength dispersion of TPA and the Kerr nonlinear refractive index n2. The TPA spectrum is investigated including the effects of band nonparabolicity and the influence of the continuum exciton. Moreover, a parametric analysis is presented in order to fit the experimental measurements. Finally, we have estimated the n2 in a large wavelength range spanning the visible to the mid-IR region.

  3. Dispersion of nonresonant third-order nonlinearities in Silicon Carbide

    NASA Astrophysics Data System (ADS)

    de Leonardis, Francesco; Soref, Richard A.; Passaro, Vittorio M. N.

    2017-01-01

    In this paper we present a physical discussion of the indirect two-photon absorption (TPA) occuring in silicon carbide with either cubic or wurtzite structure. Phonon-electron interaction is analyzed by finding the phonon features involved in the process as depending upon the crystal symmetry. Consistent physical assumptions about the phonon-electron scattering mechanisms are proposed in order to give a mathematical formulation to predict the wavelength dispersion of TPA and the Kerr nonlinear refractive index n2. The TPA spectrum is investigated including the effects of band nonparabolicity and the influence of the continuum exciton. Moreover, a parametric analysis is presented in order to fit the experimental measurements. Finally, we have estimated the n2 in a large wavelength range spanning the visible to the mid-IR region.

  4. Third-Order Intermodulation in a Micromechanical Thermal Mixer

    DTIC Science & Technology

    2005-12-01

    Pedersen, M. B. Jenner , and T. Larsen, “RF receiver requirements for 3G W-CDMA mobile equipment,” Microw. J., vol. 43, no. 2, pp. 22–46, 2000. [10] S. Evoy...R. L. Edwards , “Mea- surements of young’s modulus, poisson’s ratio, and tensile strength of polysilicon,” in Proc. Tenth Annual International Workshop

  5. Materials for Second and Third Order Nonlinear Optical Applications

    DTIC Science & Technology

    1994-06-14

    state polarization and bond length alternation. The ground-state polarization was monitored by infrared spectroscopy using the local vibrational modes of a functional group on the end of the molecule as a probe.

  6. 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.

  7. 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.

  8. 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.

  9. 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)

  10. 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.

  11. 14 CFR 31.61 - Static discharge.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Static discharge. 31.61 Section 31.61... STANDARDS: MANNED FREE BALLOONS Design Construction § 31.61 Static discharge. Unless shown not to be... gas as a lifting means to ensure that the effects of static discharges will not create a hazard....

  12. 14 CFR 31.61 - Static discharge.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Static discharge. 31.61 Section 31.61... STANDARDS: MANNED FREE BALLOONS Design Construction § 31.61 Static discharge. Unless shown not to be... gas as a lifting means to ensure that the effects of static discharges will not create a hazard....

  13. 14 CFR 31.61 - Static discharge.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Static discharge. 31.61 Section 31.61... STANDARDS: MANNED FREE BALLOONS Design Construction § 31.61 Static discharge. Unless shown not to be... gas as a lifting means to ensure that the effects of static discharges will not create a hazard....

  14. 14 CFR 31.61 - Static discharge.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Static discharge. 31.61 Section 31.61... STANDARDS: MANNED FREE BALLOONS Design Construction § 31.61 Static discharge. Unless shown not to be... gas as a lifting means to ensure that the effects of static discharges will not create a hazard....

  15. 14 CFR 31.61 - Static discharge.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Static discharge. 31.61 Section 31.61... STANDARDS: MANNED FREE BALLOONS Design Construction § 31.61 Static discharge. Unless shown not to be... gas as a lifting means to ensure that the effects of static discharges will not create a hazard....

  16. 30 CFR 18.26 - Static electricity.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 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....

  17. 30 CFR 18.26 - Static electricity.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 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....

  18. 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....

  19. 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....

  20. 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....

  1. 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.

  2. Static second-order polarizabilities of aminobenzophenones and nitrobenzophenones

    NASA Technical Reports Server (NTRS)

    Moore, Craig E.; Cardelino, Beatriz H.

    1991-01-01

    Static-field theoretical studies on molecular second-order polarizabilities (beta) of benzophenone derivatives were performed. Calculations were based on the use of shaped electric fields and semiempirical Hamiltonians. Either an electron-donating (amine) or an electron-withdrawing (nitro) substituent was incorporated into a phenyl ring of benzophenone; the phenyl rings of benzophenone were oriented either coplanar or perpendicular to the carbonyl. The change in charge transfer with respect to the electrophilic character of the carbonyl group was monitored to determine its effect on the molecular second-order polarizability. Calculations were performed for all constitutional isomers of the two benzophenone derivatives.

  3. Two-dimensional rhombohedral grid coordination polymers [M(bbbt)(2)(NCS)(2)](n)(M = Co, Mn, or Cd; bbbt = 1,1'-(1,4-butanediyl) bis-1H-benzotriazole): synthesis, crystal structures, and third-order nonlinear optical properties.

    PubMed

    Hou, Hongwei; Meng, Xiangru; Song, Yinglin; Fan, Yaoting; Zhu, Yu; Lu, Huijie; Du, Chenxia; Shao, Weihua

    2002-07-29

    In this paper, treatment of 1,1'-(1,4-butanediyl) bis-1H-benzotriazole (bbbt) and KSCN with Co(II), Mn(II), or Cd(II) afforded three two-dimensional rhombohedral grid coordination polymers [M(bbbt)(2)(NCS)(2)](n)(M = Co, 1; Mn, 2; Cd, 3). The two-dimensional rhombohedral grids are parallel to the crystallographic ac plane. The rhombohedral grid consists of 44-membered rings of M(4)(bbbt)(4), and gives the dimensions of 12.913 x 10.764 A for polymer 1, 13.106 x 10.797 A for polymer 2, and 13.256 x 10.870 A for polymer 3. The three polymers' third-order nonlinear optical (NLO) properties were determined by Z-scan technique in DMF solution. The results show that all three polymers show very large NLO absorption and strong NLO refraction properties. The third-order NLO absorptive coefficients alpha(2) are 5.4 x 10(-9) m W(-1) for polymer 1, 5.2 x 10(-9) m W(-1) for polymer 2, and 5.0 x 10(-9) m W(-1) for polymer 3. The alpha(2) values are larger than those of all the reported cluster compounds. The NLO refractive index values n(2) of the three polymers are 5.73 x 10(-19), 3.55 x 10(-19), and 3.07 x 10(-19) m(2) W(-1), respectively. Their hyperpolarizability gamma values are calculated to be 2.40 x 10(-30) esu for polymer 1, 1.52 x 10(-30) esu for polymer 2, and 1.50 x 10(-30) esu for polymer 3. The gamma values are comparable to those of clusters and better than those of organometallic compounds, semiconductors, and fullerene.

  4. 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.

  5. First arrival time surface, estimation of statics

    SciTech Connect

    Chun, J.H.; Jacewitz, C.A.

    1983-09-05

    The problem of obtaining surface consistent statics using first arrival refractions has several phases. To begin with, the first arrivals must be picked in some reasonable, consistent fashion. Next, appropriate techniques must be used to solve for surface-consistent statics. Finally, the interpreter must be provided with an evaluation of the quality of the estimated statics. First arrival refractions are part of reflection seismic data. Early seismic reflection work used first arrival refractions for weathering static corrections. With the advent of the common midpoint (CMP) method, first arrivals lost their predominance in statics to correlation techniques within CMP gathers. However, the increasing use of a large number of receivers and a small group interval has made first arrival statics more reliable. In addition, recent work has helped to revitalize interest in the use of first arrival refractions for surface-consistent static corrections.

  6. 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.

  7. Static magnetic fields: animal studies.

    PubMed

    Saunders, Richard

    2005-01-01

    Various experimental studies carried out over the last 30-40 years have examined the effects of the chronic or acute exposure of laboratory animals to static magnetic fields. Many of the earlier studies have been adequately reviewed elsewhere; few adverse effects were identified. This review focuses on studies carried out more recently, mostly those using vertebrates, particularly mammals. Four main areas of investigation have been covered, viz., nervous system and behavioural studies, cardiovascular system responses, reproduction and development, and genotoxicity and cancer. Work on the role of the natural geomagnetic field in animal orientation and migration has been omitted. Generally, the acute responses found during exposure to static fields above about 4 T are consistent with those found in volunteer studies, namely the induction of flow potentials around the heart and the development of aversive/avoidance behaviour resulting from body movement in such fields. No consistently demonstrable effects of exposure to fields of approximately 1T and above have been seen on other behavioural or cardiovascular endpoints. In addition, no adverse effects of such fields on reproduction and development or on the growth and development of tumours have been firmly established. Overall, however, far too few animal studies have been carried out to reach any firm conclusions.

  8. Electrowetting -- from statics to dynamics.

    PubMed

    Chen, Longquan; Bonaccurso, Elmar

    2014-08-01

    More than one century ago, Lippmann found that capillary forces can be effectively controlled by external electrostatic forces. As a simple example, by applying a voltage between a conducting liquid droplet and the surface it is sitting on we are able to adjust the wetting angle of the drop. Since Lippmann's findings, electrocapillary phenomena - or electrowetting - have developed into a series of tools for manipulating microdroplets on solid surfaces, or small amounts of liquids in capillaries for microfluidic applications. In this article, we briefly review some recent progress of fundamental understanding of electrowetting and address some still unsolved issues. Specifically, we focus on static and dynamic electrowetting. In static electrowetting, we discuss some basic phenomena found in DC and AC electrowetting, and some theories about the origin of contact angle saturation. In dynamic electrowetting, we introduce some studies about this rather recent area. At last, we address some other capillary phenomena governed by electrostatics and we give an outlook that might stimulate further investigations on electrowetting.

  9. Correlations of the stability, static dipole polarizabilities, and electronic properties of yttrium clusters.

    PubMed

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

    2009-09-24

    Static dipole polarizabilities for the ground-state geometries of yttrium clusters (Yn, n < or = 15) are investigated by using the numerically finite field method in the framework of density functional theory. The structural size dependence of electronic properties, such as the highest occupied molecular orbital-lowest occupied molecular orbital (HOMO-LUMO) gap, ionization energy, electron affinity, chemical hardness and softness, etc., has been determined for yttrium clusters. The energetic analysis, minimum polarizability principle, and principle of maximum hardness are used to characterize the stability of yttrium clusters. The correlations of stability, static dipole polarizabilities, and electronic properties are analyzed especially. The results show that static polarizability and electronic structure can reflect obviously the stability of yttrium clusters. The static polarizability per atom decreases slowly with an increase in the cluster size and exhibits a local minimum at the magic number cluster. The ratio of the mean static polarizability to the HOMO-LUMO gap has a much lower value for the most stable clusters. The static dipole polarizabilities of yttrium clusters are highly dependent on their electronic properties and are also partly related to their geometrical characteristics. A large HOMO-LUMO gap of an yttrium cluster usually corresponds to a large dipole moment. Strong correlative relationships of the ionization potential, softness, and static dipole polarizability are observed for yttrium clusters.

  10. 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.

  11. 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.

  12. Static Response of Neutron Matter.

    PubMed

    Buraczynski, Mateusz; Gezerlis, Alexandros

    2016-04-15

    We generalize the problem of strongly interacting neutron matter by adding a periodic external modulation. This allows us to study from first principles a neutron system that is extended and inhomogeneous, with connections to the physics of both neutron-star crusts and neutron-rich nuclei. We carry out fully nonperturbative microscopic quantum Monte Carlo calculations of the energy of neutron matter at different densities, as well as different strengths and periodicities of the external potential. In order to remove systematic errors, we examine finite-size effects and the impact of the wave function ansatz. We also make contact with energy-density functional theories of nuclei and disentangle isovector gradient contributions from bulk properties. Finally, we calculate the static density-density linear response function of neutron matter and compare it with the response of other physical systems.

  13. Free Breathing Static Dehumidification Systems.

    DTIC Science & Technology

    1987-01-01

    1?336 FREE NNERTHIN STATIC DMIDIFICATIOU SYS*kNS(U) RJR In__ FORME PRCKRGING EVJRTIN ROENCY WIIT-RTTERMO WD ON S A M~Y Jfh 97 DST -7-R-1 LOL lSSFFI...0 . LiW- M -. ’*5 iq - a . L O 37 Figure 12. Field Layout at SM-ALC/ DST , McClellan AFB CA .tr 4j w, I , D 4.- 4, 4J 4) :3 4j CCD ko LL o. 0.U UU -4 4...USAeLE11 I Wash DC 20330 HQ Ar’SC/LG’ I O)C-ALC/ DST Tinker Ar’B OK 73145 U0-ALC/ OST 1 Hill AFB UT 84406 SA-ALC/ DST i I. Kelly AeBN TIX 78241 SM-ALC

  14. Matter under Extreme Conditions: Advances Based on Static Compression

    NASA Astrophysics Data System (ADS)

    Hemley, Russell

    2008-04-01

    Current technological advances make it possible to perform experiments on materials at static or sustained conditions to multimegabar pressures (several hundred GPa) and several thousand degree (˜1 eV) temperatures. Densities of condensed matter can now be increased over an order of magnitude, causing novel transformations and new physical and chemical phenomena to occur. Growth in this area has been made possible by advances in diamond-anvil cell methods coupled with a wide range of probes, including x-ray diffraction, spectroscopy, inelastic scattering, radiography, and infrared spectroscopy using synchrotron radiation. Examples include investigations of dense hydrogen; transformations in molecular materials; novel ceramics; new types of superconductors, electronic, and magnetic materials; and liquids and amorphous materials. Particularly exciting are new developments in time resolved methods and coupling of static and dynamic compression techniques made possible by the creation of new large-scale facilities and novel technologies.

  15. Static and non-static black holes with the Liouville mode

    NASA Astrophysics Data System (ADS)

    Moskalets, T. M.; Nurmagambetov, A. J.

    2017-03-01

    We present a new class of static and non-static quasi-spherical black hole solutions in four-dimensional Minkowski and Anti-de Sitter spaces and briefly discuss its employing in the Gauge/Gravity duality.

  16. 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…

  17. 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.

  18. Statical longitudinal stability of airplanes

    NASA Technical Reports Server (NTRS)

    Warner, Edward P

    1921-01-01

    This report, which is a continuation of the "Preliminary report on free flight testing" (report no. NACA-TR-70), presents a detailed theoretical analysis of statical stability with free and locked controls and also the results of many free flight test on several types of airplanes. In developing the theory of stability with locked controls an expression for pitching moment is derived in simple terms by considering the total moment as the sum of the moments due to wings and tail surface. This expression, when differentiated with respect to angle of incidence, enables an analysis to be made of the factors contributing to the pitching moment. The effects of slipstream and down wash are also considered and it is concluded that the C. G. Location has but slight effect or stability, and that stability is much improved by increasing the efficiency of the tail surfaces, which may be done by using an "inverted" tail plane. The results of free flight tests with locked controls are discussed at length and it is shown that the agreement between the experimental results and theory is very satisfactory. The theory of stability with free controls is not amendable to the simple mathematical treatment used in the case of locked controls, but a clear statement of the conditions enables several conclusions to be drawn, one of which is that the fixed tail surfaces should be much larger than the movable surfaces.

  19. Static pressure seal of earmolds.

    PubMed

    Macrae, J

    1990-01-01

    Four experiments were carried out to investigate the effect on the static pressure seal of earmolds made from currently used impression and earmold materials; the occasional practice of making more than one earmold from an impression; the earmoldmaker buildup of impressions; and the multistage buildup of impressions by the impression taker. Experiment 1 showed that the chance of sealing the ear with earmolds made by the ordinary two-stage technique with only general buildup of the impression was approximately 10 percent and that none of the impression or earmold materials significantly improved the chance of obtaining a seal. Experiment 2 showed that the chance of obtaining a seal with multiple earmolds made from the one impression was zero, or very close to zero. Experiment 3 revealed that the chance of obtaining a seal increased to 55 percent when the earmold was made from an impression which was specially built up by the earmoldmaker. Experiment 4 showed that the chance of sealing the ear with earmolds made from multistage impressions was significantly greater (87.5 percent) than sealing the ear with those made from impressions specially built up by the earmoldmaker.

  20. Selective chemical imaging of static actin in live cells.

    PubMed

    Milroy, Lech-Gustav; Rizzo, Stefano; Calderon, Abram; Ellinger, Bernhard; Erdmann, Silke; Mondry, Justine; Verveer, Peter; Bastiaens, Philippe; Waldmann, Herbert; Dehmelt, Leif; Arndt, Hans-Dieter

    2012-05-23

    We have characterized rationally designed and optimized analogues of the actin-stabilizing natural products jasplakinolide and chondramide C. Efficient actin staining was achieved in fixed permeabilized and non-permeabilized cells using different combinations of dye and linker length, thus highlighting the degree of molecular flexibility of the natural product scaffold. Investigations into synthetically accessible, non-toxic analogues have led to the characterization of a powerful cell-permeable probe to selectively image static, long-lived actin filaments against dynamic F-actin and monomeric G-actin populations in live cells, with negligible disruption of rapid actin dynamics.

  1. 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.

  2. 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.

  3. Evolution of Coextruded Structures in Static Mixers

    NASA Astrophysics Data System (ADS)

    Sollogoub, C.; Guinault, A.; Pedros, M.

    2007-04-01

    Coextrusion allows to combine two thermoplastics in different ways, creating structures with different cross-sectional geometries (side-by-side structure or concentric ring structure). We use static mixers after the feedblock, in order to homogenise these initial structures and obtain different blend morphologies. The control of these morphologies is of prime importance in order to predict the final properties of the polymer blends. The aim of this paper is to study the evolution of some initial coextruded structures in different static mixers. Different static mixers, with adjustable number of mixing elements, are tested. The experimental observations are confronted with numerical simulation results.

  4. 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.

  5. 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.

  6. 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.

  7. Static dc voltage stabilizer-converter

    NASA Technical Reports Server (NTRS)

    Osadchiy, V. I.

    1974-01-01

    The advantages are outlined of a static dc voltage converter combining the functions of the feed voltage stabilizer simultaneously. A comparison is made between the circuits for the known static stabilizer converter and that developed by the author. A characteristic feature of the improved system is the increased stabilization coefficient, low output impedance and the possibility of smooth regulation of the output voltage. A practical diagram is presented for the improved high voltage stabilizer converter and its parameters.

  8. 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.

  9. Molecular origin of friction

    NASA Astrophysics Data System (ADS)

    Wang, Hui; Zhang, Tao; Hu, Yuanzhong

    2004-01-01

    The wearless friction originating from molecular interactions has been discussed in this paper. We find that the frictional properties are closely related to the structural match of two surfaces in relative motion. For the surfaces with incommensurate structure and week inter-surface interaction, zero static and kinetic friction can be achieved. In a sliding considered as in a quasi-static state, the energy dissipation initiates when interfacial particles move in a discontinuous fashion, which gives rise to a finite kinetic friction. The state of superlubricity is a result of computer simulations, but the prediction will encourage people to look for a technical approach to realizing the state of super low friction.

  10. 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.…

  11. 14 CFR 25.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Demonstration of static longitudinal... Demonstration of static longitudinal stability. Static longitudinal stability must be shown as follows: (a... need not be less than 1.3 V SR 1. (b) Cruise. Static longitudinal stability must be shown in the...

  12. 14 CFR 29.175 - 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....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at Vy. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  13. 14 CFR 27.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Demonstration of static longitudinal....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at V Y. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  14. 14 CFR 27.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Demonstration of static longitudinal....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at V Y. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  15. 14 CFR 27.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Demonstration of static longitudinal....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at V Y. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  16. 14 CFR 25.175 - 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... Demonstration of static longitudinal stability. Static longitudinal stability must be shown as follows: (a... need not be less than 1.3 V SR 1. (b) Cruise. Static longitudinal stability must be shown in the...

  17. 14 CFR 25.177 - Static lateral-directional stability.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Static lateral-directional stability. 25... AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Flight Stability § 25.177 Static lateral... is set forth as follows: § 25.177 Static lateral-directional stability. (a) The static...

  18. 14 CFR 25.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Demonstration of static longitudinal... Demonstration of static longitudinal stability. Static longitudinal stability must be shown as follows: (a... need not be less than 1.3 V SR 1. (b) Cruise. Static longitudinal stability must be shown in the...

  19. 14 CFR 23.177 - Static directional and lateral stability.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Static directional and lateral stability... Flight Stability § 23.177 Static directional and lateral stability. (a)(1) The static directional... is reached, whichever occurs first, and at speeds from 1.2 VS1 to VO. (b)(1) The static...

  20. 14 CFR 25.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Demonstration of static longitudinal... Demonstration of static longitudinal stability. Static longitudinal stability must be shown as follows: (a... need not be less than 1.3 V SR 1. (b) Cruise. Static longitudinal stability must be shown in the...

  1. 14 CFR 25.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Demonstration of static longitudinal... Demonstration of static longitudinal stability. Static longitudinal stability must be shown as follows: (a... need not be less than 1.3 V SR 1. (b) Cruise. Static longitudinal stability must be shown in the...

  2. 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... first, and at speeds from 1.2 VS1 to VO, the rudder pedal force must not reverse. (b) The static...

  3. 14 CFR 27.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Demonstration of static longitudinal....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at V Y. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  4. 14 CFR 29.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Demonstration of static longitudinal....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at Vy. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  5. 14 CFR 29.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Demonstration of static longitudinal....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at Vy. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  6. 14 CFR 27.175 - 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....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at V Y. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  7. 14 CFR 29.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Demonstration of static longitudinal....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at Vy. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  8. 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... first, and at speeds from 1.2 VS1 to VO, the rudder pedal force must not reverse. (b) The static...

  9. 14 CFR 23.177 - Static directional and lateral stability.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Static directional and lateral stability... Flight Stability § 23.177 Static directional and lateral stability. (a)(1) The static directional... is reached, whichever occurs first, and at speeds from 1.2 VS1 to VO. (b)(1) The static...

  10. 14 CFR 29.175 - Demonstration of static longitudinal stability.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Demonstration of static longitudinal....175 Demonstration of static longitudinal stability. (a) Climb. Static longitudinal stability must be... rotorcraft trimmed at Vy. (b) Cruise. Static longitudinal stability must be shown in the cruise condition...

  11. 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...

  12. 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...

  13. 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...

  14. 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...

  15. 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...

  16. Utility of the Static-99 and Static-99R With Latino Sex Offenders.

    PubMed

    Leguízamo, Alejandro; Lee, Seung C; Jeglic, Elizabeth L; Calkins, Cynthia

    2015-12-16

    The predictive validity of the Static-99 measures with ethnic minorities in the United States has only recently been assessed with mixed results. We assessed the predictive validity of the Static-99 and Static-99R with a sample of Latino sex offenders (N = 483) as well as with two subsamples (U.S.-born, including Puerto Rico, and non-U.S.-born). The overall sexual recidivism rate was very low (1.9%). Both the Static-99 measures were able to predict sexual recidivism for offenders born in the United States and Puerto Rico, but neither was effective in doing so for other Latino immigrants. Calibration analyses (N = 303) of the Static-99R were consistent with the literature and provided support for the potential use of the measure with Latinos born in the United States and Puerto Rico. These findings and their implications are discussed as they pertain to the assessment of Latino sex offenders.

  17. RESEARCH NOTE Static dielectric constant of the polarizable NCC water model

    NASA Astrophysics Data System (ADS)

    Millot, Jean-Christophe Soetens Marilia T. C. Martins Costa Claude

    The static dielectric constant epsilon0 of the ab initio water model NCC including polarizability (Niesar, U., Corongiu, G., Clementi, E., Kneller, G. R., and Bhattacharya, D. K., 1990, J. phys. Chem., 94, 7949) has been computed by molecular dynamics simulation at 25oC and a density of 1gcm-3. The long range electrostatic interactions are taken into account by the reaction field method. Values of 100 8 and 8ps are found for the static dielectric constant and dielectric relaxation time, respectively.

  18. Static and dynamic shear viscosity of a single-layer complex plasma

    SciTech Connect

    Hartmann, Peter; Sandor, Mate Csaba; Kovacs, Aniko; Donko, Zoltan

    2011-07-15

    The static and dynamic (complex) shear viscosity of a single-layer dusty plasma is measured by applying, respectively, a stationary and a periodically modulated shear stress, induced by the light pressure of manipulating laser beams. Under static conditions we observe a decrease of the viscosity with increasing shear rate, the so-called shear-thinning behavior. Under oscillating shear both the magnitude and the ratio of the dissipative and elastic contributions to the complex viscosity show strong frequency dependence, as the system changes from viscous to elastic in nature with increasing excitation frequency. Accompanying molecular dynamics simulations explain and support the experimental observations.

  19. Nonlinear Optical Response of Condined Excitions in Molecular and Semiconductor Nanostructures

    DTIC Science & Technology

    1993-09-30

    0-7 !’~-1 D- 01- 1. AGENCY USE ONLY (Leave blank) 2. REPORT DATE 3 . REPORT TYPE ANj DATES COVERED ANNUAL 01 Oct 92 TO 30 Sep 93 ;4. TITLE AND...and saturation of the static third order susceptibility X( 3 ) with the number of double bonds, is related to the coherence of the relative motion of...electron-hole pairs 0’. created upon optical excitation. DTIC QuJIbL" X [;L 14. SUBJECT TERMe :S. NUMF ER OF PAGES 1C. • PFic " CODE 17. SECURITY

  20. Uniqueness of static photon surfaces: Perturbative approach

    NASA Astrophysics Data System (ADS)

    Yoshino, Hirotaka

    2017-02-01

    A photon surface S is defined as a three-dimensional timelike hypersurface such that any null geodesic initially tangent to S continues to be included in S , like r =3 M of the Schwarzschild spacetime. Using analytic solutions to static perturbations of a Schwarzschild spacetime, we examine whether a nonspherical spacetime can possess a distorted static photon surface. It is shown that if the region outside of r =3 M is vacuum, no distorted photon surface can be present. Therefore, we establish the perturbative uniqueness for an asymptotically flat vacuum spacetime with a static photon surface. It is also pointed out that if matter is present in the outside region, there is a possibility that a distorted photon surface could form.

  1. 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.

  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. 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.

  4. Sawja: Static Analysis Workshop for Java

    NASA Astrophysics Data System (ADS)

    Hubert, Laurent; Barré, Nicolas; Besson, Frédéric; Demange, Delphine; Jensen, Thomas; Monfort, Vincent; Pichardie, David; Turpin, Tiphaine

    Static analysis is a powerful technique for automatic verification of programs but raises major engineering challenges when developing a full-fledged analyzer for a realistic language such as Java. Efficiency and precision of such a tool rely partly on low level components which only depend on the syntactic structure of the language and therefore should not be redesigned for each implementation of a new static analysis. This paper describes the Sawja library: a static analysis workshop fully compliant with Java 6 which provides OCaml modules for efficiently manipulating Java bytecode programs. We present the main features of the library, including i) efficient functional data-structures for representing a program with implicit sharing and lazy parsing, ii) an intermediate stack-less representation, and iii) fast computation and manipulation of complete programs. We provide experimental evaluations of the different features with respect to time, memory and precision.

  5. Static and dynamic properties of Fibonacci multilayers

    NASA Astrophysics Data System (ADS)

    Machado, L. D.; Bezerra, C. G.; Correa, M. A.; Chesman, C.; Pearson, J. E.; Hoffmann, A.

    2013-05-01

    We theoretically investigate static and dynamic properties of quasiperiodic magnetic multilayers. We considered identical ferromagnetic layers separated by non-magnetic spacers with two different thicknesses chosen based on the Fibonacci sequence. Using parameters for Fe/Cr, the minimum energy was determined and the equilibrium magnetization directions found were used to calculate magnetoresistance curves. Regarding dynamic behavior, ferromagnetic resonance (FMR) curves were calculated using an approximation known from the literature. Our numerical results illustrate the effects of quasiperiodicity on the static and dynamic properties of these structures.

  6. Financial networks with static and dynamic thresholds

    NASA Astrophysics Data System (ADS)

    Qiu, Tian; Zheng, Bo; Chen, Guang

    2010-04-01

    Based on the daily data of the American and Chinese stock markets, the dynamic behavior of a financial network with static and dynamic thresholds is investigated. Compared with the static threshold, the dynamic threshold suppresses the large fluctuation induced by the cross correlation of individual stock prices and leads to a stable topological structure in the dynamic evolution. Long-range time correlations are revealed for the average clustering coefficient, average degree and cross correlation of degrees. The dynamic network shows a two-peak behavior in the degree distribution.

  7. Improvement of propeller static thrust estimation

    NASA Technical Reports Server (NTRS)

    Brusse, J.; Kettleborough, C. F.

    1975-01-01

    The problem of improving the performance estimation of propellers operating in the heavily loaded static thrust condition was studied. The Goldstein theory was assessed as it applies to propellers operating in the static thrust. A review of theoretical considerations is presented along with a summary of the attempts made to obtain a numerical solution. The chordwise pressure distribution was determined during operation at a tip speed of 500 ft/sec. Chordwise integration of the pressures leads to the spanwise load distribution and further integration would give the axial thrust.

  8. Static correction using near surface model

    SciTech Connect

    Deying, Z. )

    1992-01-01

    In this paper, a new static correction using inverse modeling of first break is recommended. It is based on the least square of the difference between the real reflection first break time and corresponding modeled ray-tracing travel time. The initial model derives from priori informations or traditional interpretation results. The preconditioned fastest descent means in inversion achieves simultaneous inversions of overlying-bed velocity and refractor depth. This method has been successfully used to yield theoretical seismic data and to perform static correction of the seismic data in A district.

  9. New static relay for transmission line protection

    SciTech Connect

    Andrichak, J.G.; Massey, W.A.; Patterson, R.C.

    1981-01-01

    A new static ac voltage relay is described which meets the requirements of critical applications. This Static Line Voltage (SLV) relay consists of three independently adjustable detectors, each of which can be operated in the undervoltage or overvoltage mode. Each detector has a dropout to pickup ratio of 99 percent, and a high degree of immunity to harmonics (less than 3 percent variation in operating point with a voltage waveform containing 50 percent third harmonic). The outputs of the individual detectors are user programmable in the type SLV relay to provide AND, OR, or other logical combinations of output contact wiring to the external control circuits. 2 refs.

  10. 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

  11. 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

  12. 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

  13. 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.

  14. 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.

  15. On Static and Dynamic Intuitive Ontologies

    ERIC Educational Resources Information Center

    Hammer, David; Gupta, Ayush; Redish, Edward F.

    2011-01-01

    The authors appreciate Professor Slotta's responding to their critique (Slotta, this issue). For their part, they believe that Professor Slotta has misinterpreted aspects of their position. In this commentary, the authors clarify two particular points. First, they explain their use of "static ontologies," which they maintain applies. Second, they…

  16. 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…

  17. 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

  18. 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.

  19. 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…

  20. The Influence of Notches Under Static Stress

    NASA Technical Reports Server (NTRS)

    Matthaes, K

    1938-01-01

    From the described experiments it is seen that notches are a potential source of strength decrease even under static stress, which the designer must take into consideration. Section I is a general treatment of notch influence under the various types of stresses. Section II treats the influence of notches in thin sheet as is used in airplane construction.

  1. Static & Dynamic Response of 3D Solids

    SciTech Connect

    Lin, Jerry

    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.

  2. 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.

  3. 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.

  4. 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.

  5. Static shape control for flexible structures

    NASA Technical Reports Server (NTRS)

    Rodriguez, G.; Scheid, R. E., Jr.

    1986-01-01

    An integrated methodology is described for defining static shape control laws for large flexible structures. The techniques include modeling, identifying and estimating the control laws of distributed systems characterized in terms of infinite dimensional state and parameter spaces. The models are expressed as interconnected elliptic partial differential equations governing a range of static loads, with the capability of analyzing electromagnetic fields around antenna systems. A second-order analysis is carried out for statistical errors, and model parameters are determined by maximizing an appropriate defined likelihood functional which adjusts the model to observational data. The parameter estimates are derived from the conditional mean of the observational data, resulting in a least squares superposition of shape functions obtained from the structural model.

  6. Firefly flashing under strong static magnetic field.

    PubMed

    Barua, Anurup Gohain; Iwasaka, Masakazu; Miyashita, Yuito; Kurita, Satoru; Owada, Norio

    2012-02-01

    Firefly flashing has been the subject of numerous scientific investigations. Here we present in vivo flashes from male specimens of three species of fireflies-two Japanese species Luciola cruciata, Luciola lateralis and one Indian species Luciola praeusta-positioned under a superconducting magnet. When the OFF state of the firefly becomes long after flashing in an immobile state under the strong static magnetic field of strength 10 Tesla for a long time, which varies widely from species to species as well as from specimen to specimen, the effect of the field becomes noticeable. The flashes in general are more rapid, and occasionally overlap to produce broad compound flashes. We present the broadest flashes recorded to date, and propose that the strong static magnetic field affects the neural activities of fireflies, especially those in the spent up or 'exhausted' condition.

  7. Quasi-Static Electric Field Generator

    NASA Technical Reports Server (NTRS)

    Generazio, Edward R. (Inventor)

    2017-01-01

    A generator for producing an electric field for with an inspection technology system is provided. The generator provides the required variable magnitude quasi-static electric fields for the "illumination" of objects, areas and volumes to be inspected by the system, and produces human-safe electric fields that are only visible to the system. The generator includes a casing, a driven, non-conducting and triboelectrically neutral rotation shaft mounted therein, an ungrounded electrostatic dipole element which works in the quasi-static range, and a non-conducting support for mounting the dipole element to the shaft. The dipole element has a wireless motor system and a charging system which are wholly contained within the dipole element and the support that uses an electrostatic approach to charge the dipole element.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Geodesics in the static Mallett spacetime

    SciTech Connect

    Olum, Ken D.

    2010-06-15

    Mallett has exhibited a cylindrically symmetric spacetime containing closed timelike curves produced by a light beam circulating around a line singularity. I analyze the static version of this spacetime obtained by setting the intensity of the light to zero. Some null geodesics can escape to infinity, but all timelike geodesics in this spacetime originate and terminate at the singularity. Freely falling matter originally at rest quickly attains relativistic velocity inward and is destroyed at the singularity.

  14. Automated static perimetry to evaluate diabetic retinopathy.

    PubMed Central

    Federman, J L; Lloyd, J

    1984-01-01

    The Octopus automated static perimeter was used to evaluate patients with early diabetic retinopathy. It showed islands of threshold sensitivity depression that were equal to areas of nonperfusion seen on fluorescein angiography. The geographic area of the fundus at risk of developing these field defects was found to be between 20 and 45 degrees, representing the central area of the midperiphery. This procedure has potential as an excellent screening test for early diabetic retinopathy. Images FIGURE 1 (Cont'd) C PMID:6549516

  15. Static friction in graphite under compression

    NASA Astrophysics Data System (ADS)

    Del Corro, Elena; Taravillo, Mercedes; Baonza, Valentin G.; Abbasi-Perez, David; Marques, Miriam; Menendez, J.; Recio, J.; Otero-de-La-Roza, Alberto

    2013-06-01

    The Raman spectrum of graphite has been studied under different stress conditions, a quantitative comparison of these experiments leads to the unexpected result that in both cases the same pressure slope is observed for the G band, despite this band is originated by an in-plane vibration and therefore only affected by in-plane stress. These results allow us to conclude that when graphite is squeezed between opposed anvils, in-plane stress components appear on the sample. We present a combined experimental and theoretical analysis which allow us to define the main in-plane stress component acting on graphite as the friction forces against sliding, resulting from the confinement of the sample. In our experiments the anvil cell turns into a powerful tool to provide information about the stress dependence of the static friction linked to the relative displacement of the individual graphene layers. Computer simulations in bulk graphite and tri-layer graphene provide boundary values of the static friction coefficient at different relative orientations between the graphene sheets. Our major finding is that the simulated static friction between loaded graphene sheets is comparable to the experimental in-plane stress that yields the blue-shift of the G band.

  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. 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

  18. 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

  19. 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.

  20. 17 CFR 229.1105 - (Item 1105) Static pool information.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 17 Commodity and Securities Exchanges 2 2013-04-01 2013-04-01 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...