Visual measurement of the evaporation process of a sessile droplet by dual-channel simultaneous phase-shifting interferometry.

PubMed

Sun, Peng; Zhong, Liyun; Luo, Chunshu; Niu, Wenhu; Lu, Xiaoxu

2015-07-16

To perform the visual measurement of the evaporation process of a sessile droplet, a dual-channel simultaneous phase-shifting interferometry (DCSPSI) method is proposed. Based on polarization components to simultaneously generate a pair of orthogonal interferograms with the phase shifts of π/2, the real-time phase of a dynamic process can be retrieved with two-step phase-shifting algorithm. Using this proposed DCSPSI system, the transient mass (TM) of the evaporation process of a sessile droplet with different initial mass were presented through measuring the real-time 3D shape of a droplet. Moreover, the mass flux density (MFD) of the evaporating droplet and its regional distribution were also calculated and analyzed. The experimental results show that the proposed DCSPSI will supply a visual, accurate, noncontact, nondestructive, global tool for the real-time multi-parameter measurement of the droplet evaporation.

Three-step interferometric method with blind phase shifts by use of interframe correlation between interferograms

NASA Astrophysics Data System (ADS)

Muravsky, Leonid I.; Kmet', Arkady B.; Stasyshyn, Ihor V.; Voronyak, Taras I.; Bobitski, Yaroslav V.

2018-06-01

A new three-step interferometric method with blind phase shifts to retrieve phase maps (PMs) of smooth and low-roughness engineering surfaces is proposed. Evaluating of two unknown phase shifts is fulfilled by using the interframe correlation between interferograms. The method consists of two stages. The first stage provides recording of three interferograms of a test object and their processing including calculation of unknown phase shifts, and retrieval of a coarse PM. The second stage implements firstly separation of high-frequency and low-frequency PMs and secondly producing of a fine PM consisting of areal surface roughness and waviness PMs. Extraction of the areal surface roughness and waviness PMs is fulfilled by using a linear low-pass filter. The computer simulation and experiments fulfilled to retrieve a gauge block surface area and its areal surface roughness and waviness have confirmed the reliability of the proposed three-step method.

Determination of the charge of relativistic heavy nuclei from emulsion tracks

NASA Technical Reports Server (NTRS)

Morgan, S. H., Jr.; Eby, P. B.

1971-01-01

The number of delta rays with energies between 50 and 150 keV that are produced by heavy nuclei in emulsions is calculated. The Z(2) dependence predicted by the first Born approximation is corrected by a direct calculation of the Mott exact phase-shift scattering cross section. Comparisons are made with corrections predicted by the second Born approximation. When the phase-shift results are applied to the problem of charge identification, corrections of up to 4 units of charge for 1.457-GeV/nucleon nuclei with charge Z = 75 are found.

Fully tunable 360° microwave photonic phase shifter based on a single semiconductor optical amplifier.

PubMed

Sancho, Juan; Lloret, Juan; Gasulla, Ivana; Sales, Salvador; Capmany, José

2011-08-29

A fully tunable microwave photonic phase shifter involving a single semiconductor optical amplifier (SOA) is proposed and demonstrated. 360° microwave phase shift has been achieved by tuning the carrier wavelength and the optical input power injected in an SOA while properly profiting from the dispersion feature of a conveniently designed notch filter. It is shown that the optical filter can be advantageously employed to switch between positive and negative microwave phase shifts. Numerical calculations corroborate the experimental results showing an excellent agreement.

Comprehensive time average digital holographic vibrometry

NASA Astrophysics Data System (ADS)

Psota, Pavel; Lédl, Vít; Doleček, Roman; Mokrý, Pavel; Vojtíšek, Petr; Václavík, Jan

2016-12-01

This paper presents a method that simultaneously deals with drawbacks of time-average digital holography: limited measurement range, limited spatial resolution, and quantitative analysis of the measured Bessel fringe patterns. When the frequency of the reference wave is shifted by an integer multiple of frequency at which the object oscillates, the measurement range of the method can be shifted either to smaller or to larger vibration amplitudes. In addition, phase modulation of the reference wave is used to obtain a sequence of phase-modulated fringe patterns. Such fringe patterns can be combined by means of phase-shifting algorithms, and amplitudes of vibrations can be straightforwardly computed. This approach independently calculates the amplitude values in every single pixel. The frequency shift and phase modulation are realized by proper control of Bragg cells and therefore no additional hardware is required.

Solitary waves of surface plasmon polariton via phase shifts under Doppler broadening and Kerr nonlinearity

NASA Astrophysics Data System (ADS)

Ahmad, S.; Ahmad, A.; Bacha, B. A.; Khan, A. A.; Abdul Jabar, M. S.

2017-12-01

Surface Plasmon Polaritons (SPPs) are theoretically investigated at the interface of a dielectric metal and gold. The output pulse from the dielectric is used as the input pulse for the generation of SPPs. The SPPs show soliton-like behavior at the interface. The solitary form of a SPP is maintained under the effects of Kerr nonlinearity, Doppler broadening and Fresnel dragging whereas its phase shift is significantly modified. A 0.3radian phase shift is calculated in the presence of both Kerr nonlinearity and Fresnel dragging in the absence of plasma motion. The phase shift is enhanced to 60radian due to the combined effect of Doppler broadening, Kerr nonlinearity and Fresnel dragging. The results may have significant applications in nano-photonics, optical tweezers, photovoltaic devices, plasmonster and sensing technology.

Improved phase shift approach to the energy correction of the infinite order sudden approximation

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

Chang, B.; Eno, L.; Rabitz, H.

1980-07-15

A new method is presented for obtaining energy corrections to the infinite order sudden (IOS) approximation by incorporating the effect of the internal molecular Hamiltonian into the IOS wave function. This is done by utilizing the JWKB approximation to transform the Schroedinger equation into a differential equation for the phase. It is found that the internal Hamiltonian generates an effective potential from which a new improved phase shift is obtained. This phase shift is then used in place of the IOS phase shift to generate new transition probabilities. As an illustration the resulting improved phase shift (IPS) method is appliedmore » to the Secrest--Johnson model for the collinear collision of an atom and diatom. In the vicinity of the sudden limit, the IPS method gives results for transition probabilities, P/sub n/..-->..n+..delta..n, in significantly better agreement with the 'exact' close coupling calculations than the IOS method, particularly for large ..delta..n. However, when the IOS results are not even qualitatively correct, the IPS method is unable to satisfactorily provide improvements.« less

Optical Hilbert transform using fiber Bragg gratings

NASA Astrophysics Data System (ADS)

Ge, Jing; Wang, Chinhua; Zhu, Xiaojun

2010-11-01

In this paper, we demonstrate that a simple and practical phase-shifted fiber Bragg grating (PSFBG) operated in reflection can provide the required spectral response for implementing an all-optical Hilbert transformer (HT), including both integer and fractional orders. The PSFBG consists of two concatenated identical uniform FBGs with a phase shift between them. It can be proved that the phase shift of the FBG and the apodizing profile of the refractive index modulation determine the order of the transform. The device shows a good accuracy in calculating the Hilbert transform of the complex field of an arbitrary input optical waveforms when compared with the theoretical results.

Application of P-wave Hybrid Theory to the Scattering of Electrons from He+ and Resonances in He and H ion

NASA Technical Reports Server (NTRS)

Bhatia, A. K.

2012-01-01

The P-wave hybrid theory of electron-hydrogen elastic scattering [Phys. Rev. A 85, 052708 (2012)] is applied to the P-wave scattering from He ion. In this method, both short-range and long-range correlations are included in the Schroedinger equation at the same time, by using a combination of a modified method of polarized orbitals and the optical potential formalism. The short-correlation functions are of Hylleraas type. It is found that the phase shifts are not significantly affected by the modification of the target function by a method similar to the method of polarized orbitals and they are close to the phase shifts calculated earlier by Bhatia [Phys. Rev. A 69, 032714 (2004)]. This indicates that the correlation function is general enough to include the target distortion (polarization) in the presence of the incident electron. The important fact is that in the present calculation, to obtain similar results only a 20-term correlation function is needed in the wave function compared to the 220- term wave function required in the above-mentioned calculation. Results for the phase shifts, obtained in the present hybrid formalism, are rigorous lower bounds to the exact phase shifts. The lowest P-wave resonances in He atom and hydrogen ion have been calculated and compared with the results obtained using the Feshbach projection operator formalism [Phys. Rev. A, 11, 2018 (1975)]. It is concluded that accurate resonance parameters can be obtained by the present method, which has the advantage of including corrections due to neighboring resonances, bound states and the continuum in which these resonance are embedded.

The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates

NASA Astrophysics Data System (ADS)

Powers, Anna; Scribano, Yohann; Lauvergnat, David; Mebe, Elsy; Benoit, David M.; Bačić, Zlatko

2018-04-01

We report a theoretical study of the frequency shift (redshift) of the stretching fundamental transition of an H2 molecule confined inside the small dodecahedral cage of the structure II clathrate hydrate and its dependence on the condensed-phase environment. In order to determine how much the hydrate water molecules beyond the confining small cage contribute to the vibrational frequency shift, quantum five-dimensional (5D) calculations of the coupled translation-rotation eigenstates are performed for H2 in the v =0 and v =1 vibrational states inside spherical clathrate hydrate domains of increasing radius and a growing number of water molecules, ranging from 20 for the isolated small cage to over 1900. In these calculations, both H2 and the water domains are treated as rigid. The 5D intermolecular potential energy surface (PES) of H2 inside a hydrate domain is assumed to be pairwise additive. The H2-H2O pair interaction, represented by the 5D (rigid monomer) PES that depends on the vibrational state of H2, v =0 or v =1 , is derived from the high-quality ab initio full-dimensional (9D) PES of the H2-H2O complex [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)]. The H2 vibrational frequency shift calculated for the largest clathrate domain considered, which mimics the condensed-phase environment, is about 10% larger in magnitude than that obtained by taking into account only the small cage. The calculated splittings of the translational fundamental of H2 change very little with the domain size, unlike the H2 j = 1 rotational splittings that decrease significantly as the domain size increases. The changes in both the vibrational frequency shift and the j = 1 rotational splitting due to the condensed-phase effects arise predominantly from the H2O molecules in the first three complete hydration shells around H2.

GIAO-DFT calculation of 15 N NMR chemical shifts of Schiff bases: Accuracy factors and protonation effects.

PubMed

Semenov, Valentin A; Samultsev, Dmitry O; Krivdin, Leonid B

2018-02-09

15 N NMR chemical shifts in the representative series of Schiff bases together with their protonated forms have been calculated at the density functional theory level in comparison with available experiment. A number of functionals and basis sets have been tested in terms of a better agreement with experiment. Complimentary to gas phase results, 2 solvation models, namely, a classical Tomasi's polarizable continuum model (PCM) and that in combination with an explicit inclusion of one molecule of solvent into calculation space to form supermolecule 1:1 (SM + PCM), were examined. Best results are achieved with PCM and SM + PCM models resulting in mean absolute errors of calculated 15 N NMR chemical shifts in the whole series of neutral and protonated Schiff bases of accordingly 5.2 and 5.8 ppm as compared with 15.2 ppm in gas phase for the range of about 200 ppm. Noticeable protonation effects (exceeding 100 ppm) in protonated Schiff bases are rationalized in terms of a general natural bond orbital approach. Copyright © 2018 John Wiley & Sons, Ltd.

Relative phase noise induced impairment in M-ary phase-shift-keying coherent optical communication system using distributed fiber Raman amplifier.

PubMed

Cheng, Jingchi; Tang, Ming; Fu, Songnian; Shum, Perry Ping; Liu, Deming

2013-04-01

We show for the first time, to the best of our knowledge, that, in a coherent communication system that employs a phase-shift-keying signal and Raman amplification, besides the pump relative intensity noise (RIN) transfer to the amplitude, the signal's phase will also be affected by pump RIN through the pump-signal cross-phase modulation. Although the average pump power induced linear phase change can be compensated for by the phase-correction algorithm, a relative phase noise (RPN) parameter has been found to characterize pump RIN induced stochastic phase noise. This extra phase noise brings non-negligible system impairments in terms of the Q-factor penalty. The calculation shows that copumping leads to much more stringent requirements to pump RIN, and relatively larger fiber dispersion helps to suppress the RPN induced impairment. A higher-order phase-shift keying (PSK) signal is less tolerant to noise than a lower-order PSK.

Rules for Phase Shifts of Quantum Oscillations in Topological Nodal-Line Semimetals

NASA Astrophysics Data System (ADS)

Li, Cequn; Wang, C. M.; Wan, Bo; Wan, Xiangang; Lu, Hai-Zhou; Xie, X. C.

2018-04-01

Nodal-line semimetals are topological semimetals in which band touchings form nodal lines or rings. Around a loop that encloses a nodal line, an electron can accumulate a nontrivial π Berry phase, so the phase shift in the Shubnikov-de Haas (SdH) oscillation may give a transport signature for the nodal-line semimetals. However, different experiments have reported contradictory phase shifts, in particular, in the WHM nodal-line semimetals (W =Zr /Hf , H =Si /Ge , M =S /Se /Te ). For a generic model of nodal-line semimetals, we present a systematic calculation for the SdH oscillation of resistivity under a magnetic field normal to the nodal-line plane. From the analytical result of the resistivity, we extract general rules to determine the phase shifts for arbitrary cases and apply them to ZrSiS and Cu3 PdN systems. Depending on the magnetic field directions, carrier types, and cross sections of the Fermi surface, the phase shift shows rich results, quite different from those for normal electrons and Weyl fermions. Our results may help explore transport signatures of topological nodal-line semimetals and can be generalized to other topological phases of matter.

Highly noise-tolerant hybrid algorithm for phase retrieval from a single-shot spatial carrier fringe pattern

NASA Astrophysics Data System (ADS)

Dong, Zhichao; Cheng, Haobo

2018-01-01

A highly noise-tolerant hybrid algorithm (NTHA) is proposed in this study for phase retrieval from a single-shot spatial carrier fringe pattern (SCFP), which effectively combines the merits of spatial carrier phase shift method and two dimensional continuous wavelet transform (2D-CWT). NTHA firstly extracts three phase-shifted fringe patterns from the SCFP with one pixel malposition; then calculates phase gradients by subtracting the reference phase from the other two target phases, which are retrieved respectively from three phase-shifted fringe patterns by 2D-CWT; finally, reconstructs the phase map by a least square gradient integration method. Its typical characters include but not limited to: (1) doesn't require the spatial carrier to be constant; (2) the subtraction mitigates edge errors of 2D-CWT; (3) highly noise-tolerant, because not only 2D-CWT is noise-insensitive, but also the noise in the fringe pattern doesn't directly take part in the phase reconstruction as in previous hybrid algorithm. Its feasibility and performances are validated extensively by simulations and contrastive experiments to temporal phase shift method, Fourier transform and 2D-CWT methods.

Digital Holographic Interferometry and Speckle Correlation

NASA Astrophysics Data System (ADS)

Yamaguchi, Ichirou

2010-04-01

Relations and combinations between holographic interferometry and speckle correlation in contouring by phase-shifting digital holography are discussed. Three-dimensional distributions of correlations of the complex amplitudes and intensities before and after the laser wavelength shift are calculated in numerical simulations where a rough surface is modeled with random numbers. Fringe localization related to speckle displacement as well as speckle suppression in phase analysis are demonstrated for general surface shape and recording conditions.

Cortico-pontine theta carrier frequency phase shift across sleep/wake states following monoaminergic lesion in rat.

PubMed

Kalauzi, Aleksandar; Spasic, Sladjana; Petrovic, Jelena; Ciric, Jelena; Saponjic, Jelena

2012-06-01

This study was aimed to explore the sleep/wake states related cortico-pontine theta carrier frequency phase shift following a systemically induced chemical axotomy of the monoaminergic afferents within a brain of the freely moving rats. Our experiments were performed in 14 adult, male Sprague Dawley rats, chronically implanted for sleep recording. We recorded sleep during baseline condition, following sham injection (saline i.p. 1 ml/kg), and every week for 5 weeks following injection of the systemic neurotoxins (DSP-4 or PCA; 1 ml/kg, i.p.) for chemical axotomy of the locus coeruleus (LC) and dorsal raphe (DR) axon terminals. After sleep/wake states identification, FFT analysis was performed on 5 s epochs. Theta carrier frequency phase shift (∆Φ) was calculated for each epoch by averaging theta Fourier component phase shifts, and the ∆Φ values were plotted for each rat in control condition and 28 days following the monoaminergic lesions, as a time for permanently established DR or LC chemical axotomy. Calculated group averages have shown that ∆Φ increased between pons and cortex significantly in all sleep/wake states (Wake, NREM and REM) following the monoaminergic lesions, with respect to controls. Monoaminergic lesions established the pontine leading role in the brain theta oscillations during all sleep/wake states.

Application of P-wave hybrid theory to the scattering of electrons from He+ and resonances in He and H-

NASA Astrophysics Data System (ADS)

Bhatia, A. K.

2012-09-01

The P-wave hybrid theory of electron-hydrogen elastic scattering [Bhatia, Phys. Rev. A10.1103/PhysRevA.85.052708 85, 052708 (2012)] is applied to the P-wave scattering from He ion. In this method, both short-range and long-range correlations are included in the Schrödinger equation at the same time, by using a combination of a modified method of polarized orbitals and the optical potential formalism. The short-range-correlation functions are of Hylleraas type. It is found that the phase shifts are not significantly affected by the modification of the target function by a method similar to the method of polarized orbitals and they are close to the phase shifts calculated earlier by Bhatia [Phys. Rev. A10.1103/PhysRevA.69.032714 69, 032714 (2004)]. This indicates that the correlation function is general enough to include the target distortion (polarization) in the presence of the incident electron. The important fact is that in the present calculation, to obtain similar results only a 20-term correlation function is needed in the wave function compared to the 220-term wave function required in the above-mentioned calculation. Results for the phase shifts, obtained in the present hybrid formalism, are rigorous lower bounds to the exact phase shifts. The lowest P-wave resonances in He atom and hydrogen ion have also been calculated and compared with the results obtained using the Feshbach projection operator formalism [Bhatia and Temkin, Phys. Rev. A10.1103/PhysRevA.11.2018 11, 2018 (1975)] and also with the results of other calculations. It is concluded that accurate resonance parameters can be obtained by the present method, which has the advantage of including corrections due to neighboring resonances, bound states, and the continuum in which these resonances are embedded.

Ab initio calculation of the electronic absorption spectrum of liquid water

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

Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa, E-mail: ben@cii.fc.ul.pt

2014-04-28

The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are inmore » good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O–H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.« less

A unified equation for calculating methane vapor pressures in the CH4-H2O system with measured Raman shifts

USGS Publications Warehouse

Lu, W.; Chou, I.-Ming; Burruss, R.C.; Song, Y.

2007-01-01

A unified equation has been derived by using all available data for calculating methane vapor pressures with measured Raman shifts of C-H symmetric stretching band (??1) in the vapor phase of sample fluids near room temperature. This equation eliminates discrepancies among the existing data sets and can be applied at any Raman laboratory. Raman shifts of C-H symmetric stretching band of methane in the vapor phase of CH4-H2O mixtures prepared in a high-pressure optical cell were also measured at temperatures between room temperature and 200 ??C, and pressures up to 37 MPa. The results show that the CH4 ??1 band position shifts to higher wavenumber as temperature increases. We also demonstrated that this Raman band shift is a simple function of methane vapor density, and, therefore, when combined with equation of state of methane, methane vapor pressures in the sample fluids at elevated temperatures can be calculated from measured Raman peak positions. This method can be applied to determine the pressure of CH4-bearing systems, such as methane-rich fluid inclusions from sedimentary basins or experimental fluids in hydrothermal diamond-anvil cell or other types of optical cell. ?? 2007 Elsevier Ltd. All rights reserved.

Coma measurement by transmission image sensor with a PSM

NASA Astrophysics Data System (ADS)

Wang, Fan; Wang, Xiangzhao; Ma, Mingying; Zhang, Dongqing; Shi, Weijie; Hu, Jianming

2005-01-01

As feature size decreases, especially with the use of resolution enhancement technique such as off axis illumination and phase shifting mask, fast and accurate in-situ measurement of coma has become very important in improving the performance of modern lithographic tools. The measurement of coma can be achieved by the transmission image sensor, which is an aerial image measurement device. The coma can be determined by measuring the positions of the aerial image at multiple illumination settings. In the present paper, we improve the measurement accuracy of the above technique with an alternating phase shifting mask. Using the scalar diffraction theory, we analyze the effect of coma on the aerial image. To analyze the effect of the alternating phase shifting mask, we compare the pupil filling of the mark used in the above technique with that of the phase-shifted mark used in the new technique. We calculate the coma-induced image displacements of the marks at multiple partial coherence and NA settings, using the PROLITH simulation program. The simulation results show that the accuracy of coma measurement can increase approximately 20 percent using the alternating phase shifting mask.

Axial strain insensitivity of weakly guiding optical fibers

NASA Technical Reports Server (NTRS)

Egalon, Claudio O.; Rogowski, Robert S.

1993-01-01

A numerical model has been developed to calculate the modal phase shift of circular step index profile weakly guiding fibers under axial strain. Whenever an optical fiber is under stress, the optical path length, the index of refraction, and the propagation constants of each mode change. In consequence, the phase of each mode is also modified. A relationship for the modal phase shift is presented. This relation is applied to both single mode and two-mode fibers in order to determine the sensitivity characteristics of strained fibers. It was found that the phase shift is strongly dependent on the core refractive index, n(co). It was also found that it is possible to design fibers which are insensitive to axial strain. Practical applications of strain insensitive fibers are discussed.

Modeling nuclear field shift isotope fractionation in crystals

NASA Astrophysics Data System (ADS)

Schauble, E. A.

2013-12-01

In this study nuclear field shift fractionations in solids (and chemically similar liquids) are estimated using calibrated density functional theory calculations. The nuclear field shift effect is a potential driver of mass independent isotope fractionation(1,2), especially for elements with high atomic number such as Hg, Tl and U. This effect is caused by the different shapes and volumes of isotopic nuclei, and their interactions with electronic structures and energies. Nuclear field shift isotope fractionations can be estimated with first principles methods, but the calculations are computationally difficult, limiting most theoretical studies so far to small gas-phase molecules and molecular clusters. Many natural materials of interest are more complex, and it is important to develop ways to estimate field shift effects that can be applied to minerals, solutions, in biomolecules, and at mineral-solution interfaces. Plane-wave density functional theory, in combination with the projector augmented wave method (DFT-PAW), is much more readily adapted to complex materials than the relativistic all-electron calculations that have been the focus of most previous studies. DFT-PAW is a particularly effective tool for studying crystals with periodic boundary conditions, and may also be incorporated into molecular dynamics simulations of solutions and other disordered phases. Initial calibrations of DFT-PAW calculations against high-level all-electron models of field shift fractionation suggest that there may be broad applicability of this method to a variety of elements and types of materials. In addition, the close relationship between the isomer shift of Mössbauer spectroscopy and the nuclear field shift isotope effect makes it possible, at least in principle, to estimate the volume component of field shift fractionations in some species that are too complex even for DFT-PAW models, so long as there is a Mössbauer isotope for the element of interest. Initial results will be presented for calculations of liquid-vapor fractionation of cadmium and mercury, which indicate an affinity for heavy isotopes in the liquid phase. In the case of mercury the results match well with recent experiments. Mössbauer-calibrated fractionation factors will also be presented for tin and platinum species. Platinum isotope behaviour in metals appears to particularly interesting, with very distinct isotope partitioning behaviour for iron-rich alloys, relative to pure platinum metal. References: 1) Bigeleisen, J. (1996) J. Am. Chem. Soc. 118, 3676-3680. 2) Nomura, M., Higuchi, N., Fujii, Y. (1996) J. Am. Chem. Soc. 118, 9127-9130.

l-5-hydroxytryptophan resets the circadian locomotor activity rhythm of the nocturnal Indian pygmy field mouse, Mus terricolor

NASA Astrophysics Data System (ADS)

Basu, Priyoneel; Singaravel, Muniyandi; Haldar, Chandana

2012-03-01

We report that l-5-hydroxytryptophan (5-HTP), a serotonin precursor, resets the overt circadian rhythm in the Indian pygmy field mouse, Mus terricolor, in a phase- and dose-dependent manner. We used wheel running to assess phase shifts in the free-running locomotor activity rhythm. Following entrainment to a 12:12 h light-dark cycle, 5-HTP (100 mg/kg in saline) was intraperitoneally administered in complete darkness at circadian time (CT)s 0, 3, 6, 9, 12, 15, 18, and 21, and the ensuing phase shifts in the locomotor activity rhythm were calculated. The results show that 5-HTP differentially shifts the phase of the rhythm, causing phase advances from CT 0 to CT 12 and phase delays from CT 12 to CT 21. Maximum advance phase shift was at CT 6 (1.18 ± 0.37 h) and maximum delay was at CT 18 (-2.36 ± 0.56 h). No extended dead zone is apparent. Vehicle (saline) at any CT did not evoke a significant phase shift. Investigations with different doses (10, 50, 100, and 200 mg/kg) of 5-HTP revealed that the phase resetting effect is dose-dependent. The shape of the phase-response curve (PRC) has a strong similarity to PRCs obtained using some serotonergic agents. There was no significant increase in wheel-running activity after 5-HTP injection, ruling out behavioral arousal-dependent shifts. This suggests that this phase resetting does not completely depend on feedback of the overt rhythmic behavior on the circadian clock. A mechanistic explanation of these shifts is currently lacking.

A High Resolution Phase Shifting Interferometer.

NASA Astrophysics Data System (ADS)

Bayda, Michael; Bartscher, Christoph; Wilkinson, Allen

1997-03-01

Configuration, operation, and performance details of a high resolution phase shifting Twyman-Green interferometer are presented. The instrument was used for density relaxation experiments of very compressible liquid-vapor critical fluids.(A companion talk in the Nonequilibrium Phenomena session under Complex Fluids presents density equilibration work.) A sample assembly contained the cell, beam splitter, phase shifter, and mirrors inside a 6 cm diameter by 6 cm long aluminum cylinder. This sample assembly was contained inside a thermostat stable to 50 μK RMS deviation. A thin phase retarding Liquid Crystal Cell (LCC) was placed in the reference arm of the interferometer. The LCC provided four cumulative 90 degree phase shifts to produce four images used in computing each phase map. The Carré technique was used to calculate a phase value for each pixel from the four intensities of each pixel. Four images for one phase map could be acquired in less than two seconds. The spatial resolution was 25 μm. The phase resolution of the interferometer in a six second period was better than λ/400. The phase stability of the interferometer during 25 hours was better than λ/70. Factors affecting timing, resolution, and other phase shifting devices will be discussed. WWW Presentation

A scattering model for rain depolarization

NASA Technical Reports Server (NTRS)

Wiley, P. H.; Stutzman, W. L.; Bostian, C. W.

1973-01-01

A method is presented for calculating the amount of depolarization caused by precipitation for a propagation path. In the model the effects of each scatterer and their interactions are accounted for by using a series of simplifying steps. It is necessary only to know the forward scattering properties of a single scatterer. For the case of rain the results of this model for attenuation, differential phase shift, and cross polarization agree very well with the results of the only other model available, that of differential attenuation and differential phase shift. Calculations presented here show that horizontal polarization is more sensitive to depolarization than is vertical polarization for small rain drop canting angle changes. This effect increases with increasing path length.

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

Richards, David G.

I present a survey of calculations of the excited $N^*$ spectrum in lattice QCD. I then describe recent advances aimed at extracting the momentum-dependent phase shifts from lattice calculations, notably in the meson sector, and the potential for their application to baryons. I conclude with a discussion of calculations of the electromagnetic transition form factors to excited nucleons, including calculations at high $Q^2$.

Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest pi-pi* transition.

PubMed

Barreto, Rafael C; Coutinho, Kaline; Georg, Herbert C; Canuto, Sylvio

2009-03-07

A combined and sequential use of Monte Carlo simulations and quantum mechanical calculations is made to analyze the spectral shift of the lowest pi-pi* transition of phenol in water. The solute polarization is included using electrostatic embedded calculations at the MP2/aug-cc-pVDZ level giving a dipole moment of 2.25 D, corresponding to an increase of 76% compared to the calculated gas-phase value. Using statistically uncorrelated configurations sampled from the MC simulation, first-principle size-extensive calculations are performed to obtain the solvatochromic shift. Analysis is then made of the origin of the blue shift. Results both at the optimized geometry and in room-temperature liquid water show that hydrogen bonds of water with phenol promote a red shift when phenol is the proton-donor and a blue shift when phenol is the proton-acceptor. In the case of the optimized clusters the calculated shifts are in very good agreement with results obtained from mass-selected free jet expansion experiments. In the liquid case the contribution of the solute-solvent hydrogen bonds partially cancels and the total shift obtained is dominated by the contribution of the outer solvent water molecules. Our best result, including both inner and outer water molecules, is 570 +/- 35 cm(-1), in very good agreement with the small experimental shift of 460 cm(-1) for the absorption maximum.

Observation of giant Goos-Hänchen and angular shifts at designed metasurfaces

PubMed Central

Yallapragada, Venkata Jayasurya; Ravishankar, Ajith P.; Mulay, Gajendra L.; Agarwal, Girish S.; Achanta, Venu Gopal

2016-01-01

Metasurfaces with sub-wavelength features are useful in modulating the phase, amplitude or polarization of electromagnetic fields. While several applications are reported for light manipulation and control, the sharp phase changes would be useful in enhancing the beam shifts at reflection from a metasurface. In designed periodic patterns on metal film, at surface plasmon resonance, we demonstrate Goos-Hanchen shift of the order of 70 times the incident wavelength and the angular shifts of several hundred microradians. We have designed the patterns using rigorous coupled wave analysis (RCWA) together with S-matrices and have used a complete vector theory to calculate the shifts as well as demonstrate a versatile experimental setup to directly measure the shifts. The giant shifts demonstrated could prove to be useful in enhancing the sensitivity of experiments ranging from atomic force microscopy to gravitational wave detection. PMID:26758471

Single and two-shot quantitative phase imaging using Hilbert-Huang Transform based fringe pattern analysis

NASA Astrophysics Data System (ADS)

Trusiak, Maciej; Micó, Vicente; Patorski, Krzysztof; García-Monreal, Javier; Sluzewski, Lukasz; Ferreira, Carlos

2016-08-01

In this contribution we propose two Hilbert-Huang Transform based algorithms for fast and accurate single-shot and two-shot quantitative phase imaging applicable in both on-axis and off-axis configurations. In the first scheme a single fringe pattern containing information about biological phase-sample under study is adaptively pre-filtered using empirical mode decomposition based approach. Further it is phase demodulated by the Hilbert Spiral Transform aided by the Principal Component Analysis for the local fringe orientation estimation. Orientation calculation enables closed fringes efficient analysis and can be avoided using arbitrary phase-shifted two-shot Gram-Schmidt Orthonormalization scheme aided by Hilbert-Huang Transform pre-filtering. This two-shot approach is a trade-off between single-frame and temporal phase shifting demodulation. Robustness of the proposed techniques is corroborated using experimental digital holographic microscopy studies of polystyrene micro-beads and red blood cells. Both algorithms compare favorably with the temporal phase shifting scheme which is used as a reference method.

Observation of FeGe skyrmions by electron phase microscopy with hole-free phase plate

NASA Astrophysics Data System (ADS)

Kotani, Atsuhiro; Harada, Ken; Malac, Marek; Salomons, Mark; Hayashida, Misa; Mori, Shigeo

2018-05-01

We report application of hole-free phase plate (HFPP) to imaging of magnetic skyrmion lattices. Using HFPP imaging, we observed skyrmions in FeGe, and succeeded in obtaining phase contrast images that reflect the sample magnetization distribution. According to the Aharonov-Bohm effect, the electron phase is shifted by the magnetic flux due to sample magnetization. The differential processing of the intensity in a HFPP image allows us to successfully reconstruct the magnetization map of the skyrmion lattice. Furthermore, the calculated phase shift due to the magnetization of the thin film was consistent with that measured by electron holography experiment, which demonstrates that HFPP imaging can be utilized for analysis of magnetic fields and electrostatic potential distribution at the nanoscale.

ρ resonance from the I = 1 ππ potential in lattice QCD

NASA Astrophysics Data System (ADS)

Kawai, Daisuke

2018-03-01

We calculate the phase shift for the I = 1 ππ scattering in 2+1 flavor lattice QCD at mπ = 410 MeV, using all-to-all propagators with the LapH smearing. We first investigate the sink operator independence of the I = 2 ππ scattering phase shift to estimate the systematics in the LapH smearing scheme in the HAL QCD method at mπ = 870 MeV. The difference in the scattering phase shift in this channel between the conventional point sink scheme and the smeared sink scheme is reasonably small as long as the next-toleading analysis is employed in the smeared sink scheme with larger smearing levels. We then extract the I = 1 ππ potential with the smeared sink operator, whose scattering phase shift shows a resonant behavior (ρ resonance). We also examine the pole of the S-matrix corresponding to the ρ resonance in the complex energy plane.

Three-dimensional direct observation of Gouy phase shift in a terajet produced by a dielectric cuboid

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

Nguyen Pham, Hai Huy, E-mail: haihuynguyenpham135@s.ee.es.osaka-u.ac.jp; Hisatake, Shintaro, E-mail: hisatake@ee.es.osaka-u.ac.jp; Nagatsuma, Tadao, E-mail: nagatuma@ee.es.osaka-u.ac.jp

2016-05-09

The generation of the terajet at the terahertz (THz) frequency with the capability of subwavelength beam-compression has been attracting increasing research interest, as did the generation of the nanojet at the optical frequency. In particular, a terajet generated from a dielectric cuboid was not previously studied experimentally in the THz region. We here experimentally demonstrate three-dimensional visualizations and characterization of a terajet generated from a dielectric cuboid with a refractive index of n = 1.46 at 125 GHz. The subwavelength compressed beam and the Gouy phase shift phenomena of the terajet are directly observed. It is also found out that a calculation modelmore » of Gouy phase shift based on focused Gaussian beam by a lens cannot explain the Gouy phase shift of compressed beam by the terajet. The intensity enhancement of about 7.4 dB and full width at half maximum of 0.6λ are obtained at the distance 0.5λ from the cuboid.« less

Resonant tidal excitation of oscillation modes in merging binary neutron stars: Inertial-gravity modes

NASA Astrophysics Data System (ADS)

Xu, Wenrui; Lai, Dong

2017-10-01

In coalescing neutron star (NS) binaries, tidal force can resonantly excite low-frequency (≲500 Hz ) oscillation modes in the NS, transferring energy between the orbit and the NS. This resonant tide can induce phase shift in the gravitational waveforms, and potentially provide a new window of studying NS interior using gravitational waves. Previous works have considered tidal excitations of pure g-modes (due to stable stratification of the star) and pure inertial modes (due to Coriolis force), with the rotational effect treated in an approximate manner. However, for realistic NSs, the buoyancy and rotational effects can be comparable, giving rise to mixed inertial-gravity modes. We develop a nonperturbative numerical spectral code to compute the frequencies and tidal coupling coefficients of these modes. We then calculate the phase shift in the gravitational waveform due to each resonance during binary inspiral. Given the uncertainties in the NS equation of state and stratification property, we adopt polytropic NS models with a parametrized stratification. We derive relevant scaling relations and survey how the phase shift depends on various properties of the NS. We find that for canonical NSs (with mass M =1.4 M⊙ and radius R =10 km ) and modest rotation rates (≲300 Hz ), the gravitational wave phase shift due to a resonance is generally less than 0.01 radian. But the phase shift is a strong function of R and M , and can reach a radian or more for low-mass NSs with larger radii (R ≳15 km ). Significant phase shift can also be produced when the combination of stratification and rotation gives rise to a very low frequency (≲20 Hz in the inertial frame) modified g-mode. As a by-product of our precise calculation of oscillation modes in rotating NSs, we find that some inertial modes can be strongly affected by stratification; we also find that the m =1 r -mode, previously identified to have a small but finite inertial-frame frequency based on the Cowling approximation, in fact has essentially zero frequency, and therefore cannot be excited during the inspiral phase of NS binaries.

Phase-shift parametrization and extraction of asymptotic normalization constants from elastic-scattering data

NASA Astrophysics Data System (ADS)

Ramírez Suárez, O. L.; Sparenberg, J.-M.

2017-09-01

We introduce a simplified effective-range function for charged nuclei, related to the modified K matrix but differing from it in several respects. Negative-energy zeros of this function correspond to bound states. Positive-energy zeros correspond to resonances and "echo poles" appearing in elastic-scattering phase-shifts, while its poles correspond to multiple-of-π phase shifts. Padé expansions of this function allow one to parametrize phase shifts on large energy ranges and to calculate resonance and bound-state properties in a very simple way, independently of any potential model. The method is first tested on a d -wave 12C+α potential model. It is shown to lead to a correct estimate of the subthreshold-bound-state asymptotic normalization constant (ANC) starting from the elastic-scattering phase shifts only. Next, the 12C+α experimental p -wave and d -wave phase shifts are analyzed. For the d wave, the relatively large error bars on the phase shifts do not allow one to improve the ANC estimate with respect to existing methods. For the p wave, a value agreeing with the 12C(6Li,d )16O transfer-reaction measurement and with the recent remeasurement of the 16Nβ -delayed α decay is obtained, with improved accuracy. However, the method displays two difficulties: the results are sensitive to the Padé-expansion order and the simplest fits correspond to an imaginary ANC, i.e., to a negative-energy "echo pole," the physical meaning of which is still debatable.

Instantaneous phase-shifting Fizeau interferometry with high-speed pixelated phase-mask camera

NASA Astrophysics Data System (ADS)

Yatagai, Toyohiko; Jackin, Boaz Jessie; Ono, Akira; Kiyohara, Kosuke; Noguchi, Masato; Yoshii, Minoru; Kiyohara, Motosuke; Niwa, Hayato; Ikuo, Kazuyuki; Onuma, Takashi

2015-08-01

A Fizeou interferometer with instantaneous phase-shifting ability using a Wollaston prism is designed. to measure dynamic phase change of objects, a high-speed video camera of 10-5s of shutter speed is used with a pixelated phase-mask of 1024 × 1024 elements. The light source used is a laser of wavelength 532 nm which is split into orthogonal polarization states by passing through a Wollaston prism. By adjusting the tilt of the reference surface it is possible to make the reference and object beam with orthogonal polarizations states to coincide and interfere. Then the pixelated phase-mask camera calculate the phase changes and hence the optical path length difference. Vibration of speakers and turbulence of air flow were successfully measured in 7,000 frames/sec.

Self-homodyne free-space optical communication system based on orthogonally polarized binary phase shift keying.

PubMed

Cai, Guangyu; Sun, Jianfeng; Li, Guangyuan; Zhang, Guo; Xu, Mengmeng; Zhang, Bo; Yue, Chaolei; Liu, Liren

2016-06-10

A self-homodyne laser communication system based on orthogonally polarized binary phase shift keying is demonstrated. The working principles of this method and the structure of a transceiver are described using theoretical calculations. Moreover, the signal-to-noise ratio, sensitivity, and bit error rate are analyzed for the amplifier-noise-limited case. The reported experiment validates the feasibility of the proposed method and demonstrates its advantageous sensitivity as a self-homodyne communication system.

Hybrid Theory of Electron-Hydrogenic Systems Elastic Scattering

NASA Technical Reports Server (NTRS)

Bhatia, A. K.

2007-01-01

Accurate electron-hydrogen and electron-hydrogenic cross sections are required to interpret fusion experiments, laboratory plasma physics and properties of the solar and astrophysical plasmas. We have developed a method in which the short-range and long-range correlations can be included at the same time in the scattering equations. The phase shifts have rigorous lower bounds and the scattering lengths have rigorous upper bounds. The phase shifts in the resonance region can be used to calculate very accurately the resonance parameters.

Intermolecular shielding contributions studied by modeling the 13C chemical-shift tensors of organic single crystals with plane waves

PubMed Central

Johnston, Jessica C.; Iuliucci, Robbie J.; Facelli, Julio C.; Fitzgerald, George; Mueller, Karl T.

2009-01-01

In order to predict accurately the chemical shift of NMR-active nuclei in solid phase systems, magnetic shielding calculations must be capable of considering the complete lattice structure. Here we assess the accuracy of the density functional theory gauge-including projector augmented wave method, which uses pseudopotentials to approximate the nodal structure of the core electrons, to determine the magnetic properties of crystals by predicting the full chemical-shift tensors of all 13C nuclides in 14 organic single crystals from which experimental tensors have previously been reported. Plane-wave methods use periodic boundary conditions to incorporate the lattice structure, providing a substantial improvement for modeling the chemical shifts in hydrogen-bonded systems. Principal tensor components can now be predicted to an accuracy that approaches the typical experimental uncertainty. Moreover, methods that include the full solid-phase structure enable geometry optimizations to be performed on the input structures prior to calculation of the shielding. Improvement after optimization is noted here even when neutron diffraction data are used for determining the initial structures. After geometry optimization, the isotropic shift can be predicted to within 1 ppm. PMID:19831448

A portable intra-oral scanner based on sinusoidal pattern of fast phase-shifting

NASA Astrophysics Data System (ADS)

Jan, Chia-Ming; Lin, Ying-Chieh

2016-03-01

This paper presented our current research about the intra-oral scanner made by MIRDC. Utilizing the sinusoidal pattern for fast phase-shifting technique to deal with 3D digitalization of human dental surface profile, the development of pseudo-phase shifting digital projection can easily achieve one type of full-field scanning instead of the common technique of the laser line scanning. Based on traditional Moiré method, we adopt projecting fringes and retrieve phase reconstruction to forward phase unwrapping. The phase difference between the plane and object can be exactly calculated from the desired fringe images, and the surface profile of object was probably reconstructed by using the phase differences information directly. According to our algorithm of space mapping between projections and capturing orientation exchange of our intra-oral scanning configuration, the system we made certainly can be proved to achieve the required accuracy of +/-10μm to deal with intra-oral scanning on the basis of utilizing active triangulation method. The final purpose aimed to the scanning of object surface profile with its size about 10x10x10mm3.

The Kπ Interaction in Finite Volume

NASA Astrophysics Data System (ADS)

Zhou, Dan; Cui, Er-Liang; Chen, Hua-Xing; Geng, Li-Sheng; Zhu, Li-Hua

We calculate energy levels of the Kπ scattering in the K∗ channel in finite volume using chiral unitary theory. We use these energy levels to obtain the Kπ phase shifts and the K∗ meson properties. We also investigate their dependence on the pion mass and compare this with Lattice QCD calculations.

Self-Action of Second Harmonic Generation and Longitudinal Temperature Gradient in Nonlinear-Optical Crystals

NASA Astrophysics Data System (ADS)

Baranov, A. I.; Konyashkin, A. V.; Ryabushkin, O. A.

2015-09-01

Model of second harmonic generation with thermal self-action was developed. Second harmonic generation temperature phase matching curves were measured and calculated for periodically polled lithium niobate crystal. Both experimental and calculated data show asymmetrical shift of temperature tuning curves with pump power.

A method searching for optimum fractional order and its application in self-phase modulation induced nonlinear phase noise estimation in coherent optical fiber transmission systems

NASA Astrophysics Data System (ADS)

Huang, Chuan; Guo, Peng; Yang, Aiying; Qiao, Yaojun

2018-07-01

In single channel systems, the nonlinear phase noise only comes from the channel itself through self-phase modulation (SPM). In this paper, a fast-nonlinear effect estimation method is proposed based on fractional Fourier transformation (FrFT). The nonlinear phase noise caused by Self-phase modulation effect is accurately estimated for single model 10Gbaud OOK and RZ-QPSK signals with the fiber length range of 0-200 km and the launch power range of 1-10 mW. The pulse windowing is adopted to search the optimum fractional order for the OOK and RZ-QPSK signals. Since the nonlinear phase shift caused by the SPM effect is very small, the accurate optimum fractional order of the signal cannot be found based on the traditional method. In this paper, a new method magnifying the phase shift is proposed to get the accurate optimum order and thus the nonlinear phase shift is calculated. The simulation results agree with the theoretical analysis and the method is applicable to signals whose pulse type has the similar characteristics with Gaussian pulse.

Retrieving plasmonic field information from metallic nanospheres using attosecond photoelectron streaking spectroscopy

NASA Astrophysics Data System (ADS)

Li, Jianxiong; Saydanzad, Erfan; Thumm, Uwe

2017-04-01

Streaked photoemission by attosecond extreme ultraviolet (XUV) pulses into an infrared (IR) or visible streaking pulse, holds promise for imaging with sub-fs time resolution the dielectric plasmonic response of metallic nanoparticles to the IR or visible streaking pulse. We calculated the plasmonic field induced by streaking pulses for 10 to 200 nm diameter Au, Ag, and Cu nanospheres and obtained streaked photoelectron spectra by employing our quantum-mechanical model. Our simulated spectra show significant oscillation-amplitude enhancements and phase shifts for all three metals (relative to spectra that are calculated without including the induced plasmonic field) and allow the reconstruction of the plasmonic field enhancements and phase shifts for each material. Supported by the US NSD-EPSCoR program, NSF, and DoE.

Full-field stress determination in photoelasticity with phase shifting technique

NASA Astrophysics Data System (ADS)

Guo, Enhai; Liu, Yonggang; Han, Yongsheng; Arola, Dwayne; Zhang, Dongsheng

2018-04-01

Photoelasticity is an effective method for evaluating the stress and its spatial variations within a stressed body. In the present study, a method to determine the stress distribution by means of phase shifting and a modified shear-difference is proposed. First, the orientation of the first principal stress and the retardation between the principal stresses are determined in the full-field through phase shifting. Then, through bicubic interpolation and derivation of a modified shear-difference method, the internal stress is calculated from the point with a free boundary along its normal direction. A method to reduce integration error in the shear difference scheme is proposed and compared to the existing methods; the integration error is reduced when using theoretical photoelastic parameters to calculate the stress component with the same points. Results show that when the value of Δx/Δy approaches one, the error is minimum, and although the interpolation error is inevitable, it has limited influence on the accuracy of the result. Finally, examples are presented for determining the stresses in a circular plate and ring subjected to diametric loading. Results show that the proposed approach provides a complete solution for determining the full-field stresses in photoelastic models.

Preparation and characterizations of SnO2 nanopowder and spectroscopic (FT-IR, FT-Raman, UV-Visible and NMR) analysis using HF and DFT calculations.

PubMed

Ayeshamariam, A; Ramalingam, S; Bououdina, M; Jayachandran, M

2014-01-24

In this work, pure and singe phase SnO2 Nano powder is successfully prepared by simple sol-gel combustion route. The photo luminescence and XRD measurements are made and compared the geometrical parameters with calculated values. The FT-IR and FT-Raman spectra are recorded and the fundamental frequencies are assigned. The optimized parameters and the frequencies are calculated using HF and DFT (LSDA, B3LYP and B3PW91) theory in bulk phase of SnO2 and are compared with its Nano phase. The vibrational frequency pattern in nano phase gets realigned and the frequencies are shifted up to higher region of spectra when compared with bulk phase. The NMR and UV-Visible spectra are simulated and analyzed. Transmittance studies showed that the HOMO-LUMO band gap (Kubo gap) is reduced from 3.47 eV to 3.04 eV while it is heated up to 800°C. The Photoluminescence spectra of SnO2 powder showed a peak shift towards lower energy side with the change of Kubo gap from 3.73 eV to 3.229 eV for as-prepared and heated up to 800°C. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

Off-axis phase-only holograms of 3D objects using accelerated point-based Fresnel diffraction algorithm

NASA Astrophysics Data System (ADS)

Zeng, Zhenxiang; Zheng, Huadong; Yu, Yingjie; Asundi, Anand K.

2017-06-01

A method for calculating off-axis phase-only holograms of three-dimensional (3D) object using accelerated point-based Fresnel diffraction algorithm (PB-FDA) is proposed. The complex amplitude of the object points on the z-axis in hologram plane is calculated using Fresnel diffraction formula, called principal complex amplitudes (PCAs). The complex amplitudes of those off-axis object points of the same depth can be obtained by 2D shifting of PCAs. In order to improve the calculating speed of the PB-FDA, the convolution operation based on fast Fourier transform (FFT) is used to calculate the holograms rather than using the point-by-point spatial 2D shifting of the PCAs. The shortest recording distance of the PB-FDA is analyzed in order to remove the influence of multiple-order images in reconstructed images. The optimal recording distance of the PB-FDA is also analyzed to improve the quality of reconstructed images. Numerical reconstructions and optical reconstructions with a phase-only spatial light modulator (SLM) show that holographic 3D display is feasible with the proposed algorithm. The proposed PB-FDA can also avoid the influence of the zero-order image introduced by SLM in optical reconstructed images.

Magnetization hysteresis electron paramagnetic resonance. A new null phase insensitive saturation transfer EPR technique with high sensitivity to slow motion.

PubMed Central

Vistnes, A I

1983-01-01

In electron paramagnetic resonance (EPR) nonlinear phenomena with respect to magnetic-field modulation are often studied by out-of-phase spectra recordings. The existence of a nonzero out-of-phase signal implies that the EPR signal is phase shifted relative to the modulation signal. This phase shift is called a magnetization hysteresis. The hysteresis angle varies during a sweep through the resonance conditions for a free radical. By recording this variation, a magnetization hysteresis (MH) spectrum results. In practice, a MH spectrum is computer calculated from two EPR spectra detected with a 90 degree difference in phase setting. There is no need for a careful null-phase calibration like that in traditional analysis of nonlinearities. The MH spectra calculated from second harmonic EPR spectra of spin labels were highly dependent on the rotational correlation time. The technique can therefore be used to study slow molecular motion. In the present work MH spectra and Hemminga and deJager's magnitude saturation transfer EPR spectra (Hemminga, M. A., and P. A. deJager, 1981, J. Magn. Reson., 43:324-327) have been analyzed to define parameters that can describe variations in the rotational correlation time. A novel modification of the sample holder and temperature regulation equipment is described. PMID:6309263

Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.

2016-01-01

Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ˜25 % on cooling from room temperature to ˜100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.

Band gap narrowing in n-type and p-type 3C-, 2H-, 4H-, 6H-SiC, and Si

NASA Astrophysics Data System (ADS)

Persson, C.; Lindefelt, U.; Sernelius, B. E.

1999-10-01

Doping-induced energy shifts of the conduction band minimum and the valence band maximum have been calculated for n-type and p-type 3C-, 2H-, 4H-, 6H-SiC, and Si. The narrowing of the fundamental band gap and of the optical band gap are presented as functions of ionized impurity concentration. The calculations go beyond the common parabolic treatments of the ground state energy dispersion by using energy dispersion and overlap integrals from band structure calculations. The nonparabolic valence band curvatures influence strongly the energy shifts especially in p-type materials. The utilized method is based on a zero-temperature Green's function formalism within the random phase approximation with local field correction according to Hubbard. We have parametrized the shifts of the conduction and the valence bands and made comparisons with recently published results from a semi-empirical model.

Deep-turbulence wavefront sensing using digital holography in the on-axis phase shifting recording geometry

NASA Astrophysics Data System (ADS)

Thornton, Douglas E.; Spencer, Mark F.; Perram, Glen P.

2017-09-01

The effects of deep turbulence in long-range imaging applications presents unique challenges to properly measure and correct for aberrations incurred along the atmospheric path. In practice, digital holography can detect the path-integrated wavefront distortions caused by deep turbulence, and di erent recording geometries offer different benefits depending on the application of interest. Previous studies have evaluated the performance of the off-axis image and pupil plane recording geometries for deep-turbulence sensing. This study models digital holography in the on-axis phase shifting recording geometry using wave optics simulations. In particular, the analysis models spherical-wave propagation through varying deep-turbulence conditions to estimate the complex optical field, and performance is evaluated by calculating the field-estimated Strehl ratio and RMS wavefront error. Altogether, the results show that digital holography in the on-axis phase shifting recording geometry is an effective wavefront-sensing method in the presence of deep turbulence.

Phase Composition and Disorder in La2(Sn,Ti)2O7 Ceramics: New Insights from NMR Crystallography.

PubMed

Fernandes, Arantxa; McKay, David; Sneddon, Scott; Dawson, Daniel M; Lawson, Sebastian; Veazey, Richard; Whittle, Karl R; Ashbrook, Sharon E

2016-09-15

An NMR crystallographic approach, involving the combination of 119 Sn NMR spectroscopy, XRD, and DFT calculations, is demonstrated for the characterization of La 2 Sn 2- x Ti x O 7 ceramics. A phase change from pyrochlore (La 2 Sn 2 O 7 ) to a layered perovskite phase (La 2 Ti 2 O 7 ) is predicted (by radius ratio rules) to occur when x ≈ 0.95. However, the sensitivity of NMR spectroscopy to the local environment is able to reveal a significant two-phase region is present, extending from x = 1.8 to ∼0.2, with limited solid solution at the two extremes, in broad agreement with powder XRD measurements. DFT calculations reveal that there is preferential site substitution of Sn in La 2 Ti 2 O 7 , with calculated shifts for Sn substitution onto Ti1 and Ti2 sites (in the "bulk" perovskite layers) in better agreement with experiment than those for Ti3 and Ti4 ("edge" sites). Substitution onto these two sites also produces structural models with lower relative enthalpy. As the Sn content decreases, there is a further preference for substitution onto Sn2. In contrast, the relative intensities of the spectral resonances suggest that Ti substitution into the pyrochlore phase is random, although only a limited solid solution is observed (up to ∼7% Ti). DFT calculations predict very similar 119 Sn shifts for Sn substitution into the two proposed models of La 2 Ti 2 O 7 (monoclinic ( P 2 1 ) and orthorhombic ( Pna 2 1 )), indicating it is not possible to distinguish between them. However, the relative energy of the Sn-substituted orthorhombic phase was higher than that of substituted monoclinic cells, suggesting that the latter is the more likely structure.

Analysis on optical heterodyne frequency error of full-field heterodyne interferometer

NASA Astrophysics Data System (ADS)

Li, Yang; Zhang, Wenxi; Wu, Zhou; Lv, Xiaoyu; Kong, Xinxin; Guo, Xiaoli

2017-06-01

The full-field heterodyne interferometric measurement technology is beginning better applied by employing low frequency heterodyne acousto-optical modulators instead of complex electro-mechanical scanning devices. The optical element surface could be directly acquired by synchronously detecting the received signal phases of each pixel, because standard matrix detector as CCD and CMOS cameras could be used in heterodyne interferometer. Instead of the traditional four-step phase shifting phase calculating, Fourier spectral analysis method is used for phase extracting which brings lower sensitivity to sources of uncertainty and higher measurement accuracy. In this paper, two types of full-field heterodyne interferometer are described whose advantages and disadvantages are also specified. Heterodyne interferometer has to combine two different frequency beams to produce interference, which brings a variety of optical heterodyne frequency errors. Frequency mixing error and beat frequency error are two different kinds of inescapable heterodyne frequency errors. In this paper, the effects of frequency mixing error to surface measurement are derived. The relationship between the phase extraction accuracy and the errors are calculated. :: The tolerance of the extinction ratio of polarization splitting prism and the signal-to-noise ratio of stray light is given. The error of phase extraction by Fourier analysis that caused by beat frequency shifting is derived and calculated. We also propose an improved phase extraction method based on spectrum correction. An amplitude ratio spectrum correction algorithm with using Hanning window is used to correct the heterodyne signal phase extraction. The simulation results show that this method can effectively suppress the degradation of phase extracting caused by beat frequency error and reduce the measurement uncertainty of full-field heterodyne interferometer.

Phase calibration target for quantitative phase imaging with ptychography.

PubMed

Godden, T M; Muñiz-Piniella, A; Claverley, J D; Yacoot, A; Humphry, M J

2016-04-04

Quantitative phase imaging (QPI) utilizes refractive index and thickness variations that lead to optical phase shifts. This gives contrast to images of transparent objects. In quantitative biology, phase images are used to accurately segment cells and calculate properties such as dry mass, volume and proliferation rate. The fidelity of the measured phase shifts is of critical importance in this field. However to date, there has been no standardized method for characterizing the performance of phase imaging systems. Consequently, there is an increasing need for protocols to test the performance of phase imaging systems using well-defined phase calibration and resolution targets. In this work, we present a candidate for a standardized phase resolution target, and measurement protocol for the determination of the transfer of spatial frequencies, and sensitivity of a phase imaging system. The target has been carefully designed to contain well-defined depth variations over a broadband range of spatial frequencies. In order to demonstrate the utility of the target, we measure quantitative phase images on a ptychographic microscope, and compare the measured optical phase shifts with Atomic Force Microscopy (AFM) topography maps and surface profile measurements from coherence scanning interferometry. The results show that ptychography has fully quantitative nanometer sensitivity in optical path differences over a broadband range of spatial frequencies for feature sizes ranging from micrometers to hundreds of micrometers.

An improved synthesis, spectroscopic (FT-IR, NMR) study and DFT computational analysis (IR, NMR, UV-Vis, MEP diagrams, NBO, NLO, FMO) of the 1,5-methanoazocino[4,3-b]indole core structure

NASA Astrophysics Data System (ADS)

Uludağ, Nesimi; Serdaroğlu, Goncagül

2018-03-01

This study examines the synthesis of azocino[4,3-b]indole structure, which constitutes the tetracyclic framework of uleine, dasycarpidoneand tubifolidineas well as ABDE substructure of the strychnosalkaloid family. It has been synthesized by Fischer indolization of 2 and through the cylization of 4 by 2,3-dichlor-5-6-dicyanobenzoquinone (DDQ). 1H and 1C NMR chemical shifts have been predicted with GIAO approach and the calculated chemical shifts show very good agreement with observed shifts. FT-IR spectroscopy is important for the analysis of functional groups of synthesized compounds and we also supported FT-IR vibrational analysis with computational IR analysis. The vibrational spectral analysis was performed at B3LYP level of the theory in both the gas and the water phases and it was compared with the observed IR values for the important functional groups. The DFT calculations have been conducted to determine the most stable structure of the 1,2,3,4,5,6,7-Hexahydro-1,5-methanoazocino [4,3-b] indole (5). The Frontier Molecular Orbital Analysis, quantum chemical parameters, physicochemical properties have been predicted by using the same theory of level in both gas phase and the water phase, at 631 + g** and 6311++g** basis sets. TD- DFT calculations have been performed to predict the UV- Vis spectral analysis for this synthesized molecule. The Natural Bond Orbital (NBO) analysis have been performed at B3LYP level of theory to elucidate the intra-molecular interactions such as electron delocalization and conjugative interactions. NLO calculations were conducted to obtain the electric dipole moment and polarizability of the title compound.

Accurate and fiducial-marker-free correction for three-dimensional chromatic shift in biological fluorescence microscopy.

PubMed

Matsuda, Atsushi; Schermelleh, Lothar; Hirano, Yasuhiro; Haraguchi, Tokuko; Hiraoka, Yasushi

2018-05-15

Correction of chromatic shift is necessary for precise registration of multicolor fluorescence images of biological specimens. New emerging technologies in fluorescence microscopy with increasing spatial resolution and penetration depth have prompted the need for more accurate methods to correct chromatic aberration. However, the amount of chromatic shift of the region of interest in biological samples often deviates from the theoretical prediction because of unknown dispersion in the biological samples. To measure and correct chromatic shift in biological samples, we developed a quadrisection phase correlation approach to computationally calculate translation, rotation, and magnification from reference images. Furthermore, to account for local chromatic shifts, images are split into smaller elements, for which the phase correlation between channels is measured individually and corrected accordingly. We implemented this method in an easy-to-use open-source software package, called Chromagnon, that is able to correct shifts with a 3D accuracy of approximately 15 nm. Applying this software, we quantified the level of uncertainty in chromatic shift correction, depending on the imaging modality used, and for different existing calibration methods, along with the proposed one. Finally, we provide guidelines to choose the optimal chromatic shift registration method for any given situation.

The Effect of Doppler Frequency Shift, Frequency Offset of the Local Oscillators, and Phase Noise on the Performance of Coherent OFDM Receivers

NASA Technical Reports Server (NTRS)

Xiong, Fuqin; Andro, Monty

2001-01-01

This paper first shows that the Doppler frequency shift affects the frequencies of the RF carrier, subcarriers, envelope, and symbol timing by the same percentage in an Orthogonal Frequency Division Multiplexing (OFDM) signal or any other modulated signals. Then the SNR degradation of an OFDM system due to Doppler frequency shift, frequency offset of the local oscillators and phase noise is analyzed. Expressions are given and values for 4-, 16-, 64-, and 256-QAM OFDM systems are calculated and plotted. The calculations show that the Doppler shift of the D3 project is about 305 kHz, and the degradation due to it is about 0.01 to 0.04 dB, which is negligible. The degradation due to frequency offset and phase noise of local oscillators will be the main source of degradation. To keep the SNR degradation under 0.1 dB, the relative frequency offset due to local oscillators must be below 0.01 for the 16 QAM-OFDM. This translates to an offset of 1.55 MHz (0.01 x 155 MHz) or a stability of 77.5 ppm (0.01 x 155 MHz/20 GHz) for the DI project. To keep the SNR degradation under 0.1 dB, the relative linewidth (0) due to phase noise of the local oscillators must be below 0.0004 for the 16 QAM-OFDM. This translates to a linewidth of 0.062 MHz (0.0004 x 155 MHz) of the 20 GHz RIF carrier. For a degradation of 1 dB, beta = 0.04, and the linewidth can be relaxed to 6.2 MHz.

Tunable sensitivity phase detection of transmitted-type dual-channel guided-mode resonance sensor based on phase-shift interferometry.

PubMed

Kuo, Wen-Kai; Syu, Siang-He; Lin, Peng-Zhi; Yu, Hsin Her

2016-02-01

This paper reports on a transmitted-type dual-channel guided-mode resonance (GMR) sensor system that uses phase-shifting interferometry (PSI) to achieve tunable phase detection sensitivity. Five interference images are captured for the PSI phase calculation within ∼15  s by using a liquid crystal retarder and a USB web camera. The GMR sensor structure is formed by a nanoimprinting process, and the dual-channel sensor device structure for molding is fabricated using a 3D printer. By changing the rotation angle of the analyzer in front of the camera in the PSI system, the sensor detection sensitivity can be tuned. The proposed system may achieve high throughput as well as high sensitivity. The experimental results show that an optimal detection sensitivity of 6.82×10(-4)  RIU can be achieved.

Excited states of 4He

NASA Astrophysics Data System (ADS)

Aoyama, Shigeyoshi

2013-04-01

The study of the 4He nucleus is important because it is the most basic sub-unit (cluster) in nuclei. We have investigated the structures and the reaction mechanisms in 4He by using the correlated Gaussian basis function with the global vector representation. In order to treat the boundary condition for the ab-initio calculation of the four nucleons, we employ the Microscopic R-matrix Method (MRM) and the Complex Scaling Method (CSM) . Elastic-scattering phase shifts for four-nucleon systems are studied in an ab-initio type cluster model with MRM in order to clarify the role of the tensor force and to investigate cluster distortions in low energy d+d and t+p scattering. For 1S0, the calculated phase shifts show that the t+p and h+n channels are strongly coupled to the d+d channel for the case of the realistic interaction.

Retrieving plasmonic near-field information: A quantum-mechanical model for streaking photoelectron spectroscopy of gold nanospheres

NASA Astrophysics Data System (ADS)

Li, Jianxiong; Saydanzad, Erfan; Thumm, Uwe

2016-11-01

Streaked photoemission from nanostructures is characterized by size- and material-dependent nanometer-scale variations of the induced nanoplasmonic response to the electronic field of the streaking pulse and thus holds promise of allowing photoelectron imaging with both subfemtosecond temporal and nanometer spatial resolution. In order to scrutinize the driven collective electronic dynamics in 10-200-nm-diameter gold nanospheres, we calculated the plasmonic field induced by streaking pulses in the infrared and visible spectral range and developed a quantum-mechanical model for streaked photoemission by extreme ultraviolet pulses. Our simulated photoelectron spectra reveal a significant amplitude enhancement and phase shift of the photoelectron streaking trace relative to calculations that exclude the induced plasmonic field. Both are most pronounced for streaking pulses tuned to the plasmon frequency and retrace the plasmonic electromagnetic field enhancement and phase shift near the nanosphere surface.

Tautomerism and spectroscopic properties of the immunosuppressant azathioprine.

PubMed

Makhyoun, Mohamed A; Massoud, Raghdaa A; Soliman, Saied M

2013-10-01

The molecular structure and the relative stabilities of the four possible tautomers of the immunosuppressant azathioprine (AZA) are calculated by DFT/B3LYP method using different basis sets. The results of the energy analysis and thermodynamic treatment of the obtained data are used to predict the relative stabilities of the AZA tautomers. The effect of solvents such as DMSO and water on the stability of the AZA tautomers was studied using the polarized continuum method (PCM) at the same level of theory. The calculation predicted that, the total energies of all tautomers are decreased indicating that all tautomers are more or less stabilized by the solvent effect. The vibrational spectra of AZA are calculated using the same level of theory and the results are compared with the experimentally measured FTIR spectra. Good correlation is obtained between the experimental and calculated vibrational frequencies (R(2)=0.997). The electronic spectra of AZA in gas phase and in methanol as solvent are calculated using the TD-DFT method. The calculations predicted bathochromic shift in all the spectral bands in presence of solvent compared to the gas phase. Also the NMR spectra of all tautomers are calculated and the results are correlated with the experimental NMR chemical shifts where the most stable tautomer gives the best correlation coefficient (R(2)=0.996). Copyright © 2013 Elsevier B.V. All rights reserved.

Transition to collapsed tetragonal phase in CaFe 2As 2 single crystals as seen by 57Fe Mössbauer spectroscopy

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

Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan

Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe 2As 2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ~25% on cooling from room temperature to ~100 K in the tetragonal phase and is only weakly temperature dependent atmore » low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe 2As 2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Furthermore, based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.« less

Electron band structure of the high pressure cubic phase of AlH3

NASA Astrophysics Data System (ADS)

Shi, Hongliang; Zarifi, Niliffar; Yim, Wai-Leung; Tse, J. S.

2012-07-01

The electronic band structure of the cubic Pm3n phase of AlH3 stable above 100 GPa is examined with semi-local, Tran-Blaha modified Becke-Johnson local density approximation (TB-mBJLDA), screened hybrid density functionals and GW methods. The shift of the conduction band to higher energy with increasing pressure is predicted by all methods. However, there are significant differences in detail band structure. In the pressure range from 90 to160 GPa, semi-local, hybrid functional and TB-mBJLDA calculations predicted that AlH3 is a poor metal. In comparison, GW calculations show a gap opening at 160 GPa and AlH3 becomes a small gap semi-conductor. From the trends of the calculated band shifts, it can be concluded that the favourable conditions leading to the nesting of Fermi surfaces predicted by semi-local calculation have disappeared if the exchange term is included. The results highlight the importance of the correction to the exchange energy on the band structure of hydrogen dominant dense metal hydrides at high pressure hydrides and may help to rationalize the absence of superconductivity in AlH3 from experimental measurements.

Complex Correlation Calculation of e-H Total Cross Sections

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2001-01-01

Calculation of e-H total and elastic partial wave cross sections is being carried out using the complex correlation variational T-matrix method. In this preliminary study, elastic partial wave phase shifts are calculated with the correlation functions which are confined to be real. In that case the method reduces to the conventional optical potential approach with projection operators. The number of terms in the Hylleraas-type wave function for the S phase shifts is 95 while for the S it is 56, except for k=0.8 where it is 84. Our results, which are rigorous lower bounds, are given. They are seen to be in general agreement with those of Schwartz, but they are of 0 greater accuracy and outside of his error limits for k=0.3 and 0.4 for S. The main aim of this approach' is the application to higher energy scattering. By virtue of the complex correlation functions, the T matrix is not unitary so that elastic and total scattering cross sections are independent of each other. Our results will be compared specifically with those of Bray and Stelbovics.

Complex Correlation Calculation of e(-) - H Total Cross Sections

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2001-01-01

Calculation of e(-) - H total and elastic partial wave cross sections is being carried out using the complex correlation variational T-matrix method. In this preliminary study, elastic partial wave phase shifts are calculated with the correlation functions which are confined to be real. In that case the method reduces to the conventional optical potential approach with 2 projection operators. The number of terms in the Hylleraas-type wave function for the S-1 phase shifts is 95 while for the S-3 it is 56, except for k = 0.8 where it is 84. Our results, which are rigorous lower bounds, are seen to be in general agreement with those of Schwartz, but they are of greater accuracy and outside of his error limits for k = 0.3 and 0.4 for S-1. The main aim of this approach is the application to higher energy scattering. By virtue of the complex correlation functions, the T-matrix is not unitary so that elastic and total scattering cross sections are independent of each other. Our results will be compared specifically with those of Bray and Stelbovics.

Multi-level diffractive optics for single laser exposure fabrication of telecom-band diamond-like 3-dimensional photonic crystals.

PubMed

Chanda, Debashis; Abolghasemi, Ladan E; Haque, Moez; Ng, Mi Li; Herman, Peter R

2008-09-29

We present a novel multi-level diffractive optical element for diffractive optic near-field lithography based fabrication of large-area diamond-like photonic crystal structure in a single laser exposure step. A multi-level single-surface phase element was laser fabricated on a thin polymer film by two-photon polymerization. A quarter-period phase shift was designed into the phase elements to generate a 3D periodic intensity distribution of double basis diamond-like structure. Finite difference time domain calculation of near-field diffraction patterns and associated isointensity surfaces are corroborated by definitive demonstration of a diamond-like woodpile structure formed inside thick photoresist. A large number of layers provided a strong stopband in the telecom band that matched predictions of numerical band calculation. SEM and spectral observations indicate good structural uniformity over large exposure area that promises 3D photonic crystal devices with high optical quality for a wide range of motif shapes and symmetries. Optical sensing is demonstrated by spectral shifts of the Gamma-Zeta stopband under liquid emersion.

Two-nucleon higher partial-wave scattering from lattice QCD

DOE PAGES

Berkowitz, Evan; Kurth, Thorsten; Nicholson, Amy; ...

2016-12-14

Here, we present a determination of nucleon-nucleon scattering phase shifts for L>0. The S,P,D and F phase shifts for both the spin-triplet and spin-singlet channels are computed for the first time with lattice Quantum ChromoDynamics. This required the design and implementation of novel lattice methods involving displaced sources and momentum-space cubic sinks. In order to demonstrate the utility of our approach, the calculations were performed in the SU(3)-flavor limit where the light quark masses have been tuned to the physical strange quark mass, corresponding to m π=m K≈800~MeV. Two spatial volumes of V ≈ (3.5 fm) 3 and V ≈more » (4.6 fm) 3 were used. Furthermore, the finite-volume spectrum is extracted from the exponential falloff of the correlation functions. Said spectrum is mapped onto the infinite volume phase shifts using the generalization of the Luscher formalism for two-nucleon systems.« less

Geometrical modeling of optical phase difference for analyzing atmospheric turbulence

NASA Astrophysics Data System (ADS)

Yuksel, Demet; Yuksel, Heba

2013-09-01

Ways of calculating phase shifts between laser beams propagating through atmospheric turbulence can give us insight towards the understanding of spatial diversity in Free-Space Optical (FSO) links. We propose a new geometrical model to estimate phase shifts between rays as the laser beam propagates through a simulated turbulent media. Turbulence is simulated by filling the propagation path with spherical bubbles of varying sizes and refractive index discontinuities statistically distributed according to various models. The level of turbulence is increased by elongating the range and/or increasing the number of bubbles that the rays interact with along their path. For each statistical representation of the atmosphere, the trajectories of two parallel rays separated by a particular distance are analyzed and computed simultaneously using geometrical optics. The three-dimensional geometry of the spheres is taken into account in the propagation of the rays. The bubble model is used to calculate the correlation between the two rays as their separation distance changes. The total distance traveled by each ray as both rays travel to the target is computed. The difference in the path length traveled will yield the phase difference between the rays. The mean square phase difference is taken to be the phase structure function which in the literature, for a pair of collimated parallel pencil thin rays, obeys a five-third law assuming weak turbulence. All simulation results will be compared with the predictions of wave theory.

Nonlinear Pressure-Flow Relationship Is Able to Detect Asymmetry of Brain Blood Circulation Associated with Midline Shift

PubMed Central

Lo, Men-Tzung; Peng, C.K.; Novak, Vera; Schmidt, Eric A.; Kumar, Ajay; Czosnyka, Marek

2009-01-01

Abstract Reliable and noninvasive assessment of cerebral blood flow regulation is a major challenge in acute care monitoring. This study assessed dynamics of flow regulation and its relationship to asymmetry of initial computed tomography (CT) scan using multimodal pressure flow (MMPF) analysis. Data of 27 patients (38 ± 15 years old) with traumatic brain injury (TBI) were analyzed. Patients were selected from bigger cohort according to criteria of having midline shift on initial CT scan and intact skull (no craniotomy or bone flap). The MMPF analysis was used to extract the oscillations in cerebral perfusion pressure (CPP) and blood flow velocity (BFV) signals at frequency of artificial ventilation, and to calculate the instantaneous phase difference between CPP and BFV oscillations. Mean CPP-BFV phase difference was used to quantify pressure and flow relationship. The TBI subjects had smaller mean BP-BFV phase shifts (left, 8.7 ± 9.6; right 10.2 ± 8.3 MCAs, mean ± SD) than values previously obtained in healthy subjects (left, 37.3 ± 7.6 degrees; right, 38.0 ± 8.9 degrees; p < 0.0001), suggesting impaired blood flow regulation after TBI. The difference in phase shift between CPP and BFV in the left and right side was strongly correlated to the midline shift (R = 0.78; p < 0.0001). These findings indicate that the MMPF method allows reliable assessment of alterations in pressure and flow relationship after TBI. Moreover, mean pressure-flow phase shift is sensitive to the displacement of midline of the brain, and may potentially serve as a marker of asymmetry of cerebral autoregulation. PMID:19196074

Two nucleon systems at m π ~ 450 MeV from lattice QCD

DOE PAGES

Orginos, Kostas; Parreño, Assumpta; Savage, Martin J.; ...

2015-12-23

Nucleon-nucleon systems are studied with lattice quantum chromodynamics at a pion mass ofmore » $$m_\\pi\\sim 450~{\\rm MeV}$$ in three spatial volumes using $$n_f=2+1$$ flavors of light quarks. At the quark masses employed in this work, the deuteron binding energy is calculated to be $$B_d = 14.4^{+3.2}_{-2.6} ~{\\rm MeV}$$, while the dineutron is bound by $$B_{nn} = 12.5^{+3.0}_{-5.0}~{\\rm MeV}$$. Over the range of energies that are studied, the S-wave scattering phase shifts calculated in the 1S0 and 3S1-3D1 channels are found to be similar to those in nature, and indicate repulsive short-range components of the interactions, consistent with phenomenological nucleon-nucleon interactions. In both channels, the phase shifts are determined at three energies that lie within the radius of convergence of the effective range expansion, allowing for constraints to be placed on the inverse scattering lengths and effective ranges. Thus, the extracted phase shifts allow for matching to nuclear effective field theories, from which low energy counterterms are extracted and issues of convergence are investigated. As part of the analysis, a detailed investigation of the single hadron sector is performed, enabling a precise determination of the violation of the Gell-Mann–Okubo mass relation.« less

Energy shifts in photoemission lines during the tetragonal- to cubic-phase transition in BaTiO3 single crystals and systems with CoFe2O4 and NiFe2O4 overlayers

NASA Astrophysics Data System (ADS)

Welke, M.; Huth, P.; Dabelow, K.; Gorgoi, M.; Schindler, K.-M.; Chassé, A.; Denecke, R.

2018-05-01

In BaTiO3 the phase transition from tetragonal to cubic is connected with the disappearance of the ferroelectric polarization. In photoelectron spectroscopy huge transient shifts in the binding energies of all core-level photoemission lines have been observed while heating and cooling through the Curie temperature. Excitation energies from 2 keV to 6 keV have been used to show this to be a bulk effect and not a surface effect alone. These observations are discussed in terms of charging, which results from the disappearance of the ferroelectric polarization. This mechanism has previously been proposed as the origin of electron emission in ferroelectric materials. Besides the jump-like shifts, additional permanent shifts in binding energies have been observed for the tetragonal and the cubic phase. These experimental shifts have been related to theoretical ones from ab initio calculations. In addition to BaTiO3 single crystals, systems with CoFe2O4 and NiFe2O4 overlayers on BaTiO3 have been investigated. The low conductivity of these layers sets them apart from metallic overlayers like Fe or Co, where the shifts are suppressed. This difference adds further support for charging as the origin of the effect.

Ultrasonic ranging for the oculometer

NASA Technical Reports Server (NTRS)

Guy, W. J.

1981-01-01

Ultrasonic tracking techniques are investigated for an oculometer. Two methods are reported in detail. The first is based on measurements of time from the start of a transmit burst to a received echo. Knowing the sound velocity, distance can be calculated. In the second method, a continuous signal is transmitted. Target movement causes phase shifting of the echo. By accumulating these phase shifts, tracking from a set point can be achieved. Both systems have problems with contoured targets, but work well on flat plates and the back of a human head. Also briefly reported is an evaluation of an ultrasonic ranging system. Interface circuits make this system compatible with the echo time design. While the system is consistently accurate, it has a beam too narrow for oculometer use. Finally, comments are provided on a tracking system using the Doppler frequency shift to give range data.

Sum-over-states density functional perturbation theory: Prediction of reliable 13C, 15N, and 17O nuclear magnetic resonance chemical shifts

NASA Astrophysics Data System (ADS)

Olsson, Lars; Cremer, Dieter

1996-11-01

Sum-over-states density functional perturbation theory (SOS-DFPT) has been used to calculate 13C, 15N, and 17O NMR chemical shifts of 20 molecules, for which accurate experimental gas-phase values are available. Compared to Hartree-Fock (HF), SOS-DFPT leads to improved chemical shift values and approaches the degree of accuracy obtained with second order Møller-Plesset perturbation theory (MP2). This is particularly true in the case of 15N chemical shifts where SOS-DFPT performs even better than MP2. Additional improvements of SOS-DFPT chemical shifts can be obtained by empirically correcting diamagnetic and paramagnetic contributions to compensate for deficiencies which are typical of DFT.

Proceedings of the Annual Symposium on Frequency Control (39th) Held in Philadelphia, Pennsylvania on 29-31 May 1985

DTIC Science & Technology

1985-05-01

distribution, was evaluation of phase shift through best fit of assumed to be the beam response to the microwave theoretical curves and experimental...vibration sidebands o Acceleration as shown in the lower calculated curve . o High-Temperature Exposure o Thermal Vacuum Two of the curves show actual phase ...conclude that the method to measure the phase noise with spectrum estimation is workable, and it has no principle limitation. From the curve it has been

Countercurrent distribution of biological cells

NASA Technical Reports Server (NTRS)

1982-01-01

It is known that the addition of phosphate buffer to two polymer aqueous phase systems has a strong effect on the partition behavior of cells and other particles in such mixtures. The addition of sodium phosphate to aqueous poly(ethylene glycol) dextran phase systems causes a concentration-dependent shift in binodial on the phase diagram, progressively lowering the critical conditions for phase separation as the phosphate concentration is increased. Sodium chloride produces no significant shift in the critical point relative to the salt-free case. Accurate determinations of the phase diagram require measurements of the density of the phases; data is presented which allows this parameter to be calculated from polarimetric measurements of the dextran concentrations of both phases. Increasing polymer concentrations in the phase systems produce increasing preference of the phosphate for the dextran-rich bottom phase. Equilibrium dialysis experiments showed that poly(ethylene glycol) effectively rejected phosphate, and to a lesser extent chloride, but that dextran had little effect on the distribution of either salt. Increasing ionic strength via addition of 0.15 M NaCl to phase systems containing 0.01 M phosphate produces an increased concentration of phosphate ions in the bottom dextran-rich phase, the expected effect in this type of Donnan distribution.

Redshifted and blueshifted photoluminescence emission of InAs/InP quantum dots upon amorphization of phase change material.

PubMed

Humam, Nurrul Syafawati Binti; Sato, Yu; Takahashi, Motoki; Kanazawa, Shohei; Tsumori, Nobuhiro; Regreny, Philippe; Gendry, Michel; Saiki, Toshiharu

2014-06-16

We present the mechanisms underlying the redshifted and blueshifted photoluminescence (PL) of quantum dots (QDs) upon amorphization of phase change material (PCM). We calculated the stress and energy shift distribution induced by volume expansion using finite element method. Simulation result reveals that redshift is obtained beneath the flat part of amorphous mark, while blueshift is obtained beneath the edge region of amorphous mark. Simulation result is accompanied by two experimental studies; two-dimensional PL intensity mapping of InAs/InP QD sample deposited by a layer of PCM, and an analysis on the relationship between PL intensity ratio and energy shift were performed.

Polarization interferometry for real-time spectroscopic plasmonic sensing.

PubMed

Otto, Lauren M; Mohr, Daniel A; Johnson, Timothy W; Oh, Sang-Hyun; Lindquist, Nathan C

2015-03-07

We present quantitative, spectroscopic polarization interferometry phase measurements on plasmonic surfaces for sensing applications. By adding a liquid crystal variable wave plate in our beam path, we are able to measure phase shifts due to small refractive index changes on the sensor surface. By scanning in a quick sequence, our technique is extended to demonstrate real-time measurements. While this optical technique is applicable to different sensor geometries-e.g., nanoparticles, nanogratings, or nanoapertures-the plasmonic sensors we use here consist of an ultrasmooth gold layer with buried linear gratings. Using these devices and our phase measurement technique, we calculate a figure of merit that shows improvement over measuring only surface plasmon resonance shifts from a reflected intensity spectrum. To demonstrate the general-purpose versatility of our phase-resolved measurements, we also show numerical simulations with another common device architecture: periodic plasmonic slits. Since our technique inherently measures both the intensity and phase of the reflected or transmitted light simultaneously, quantitative sensor device characterization is possible.

Spontaneous supercurrent and φ0 phase shift parallel to magnetized topological insulator interfaces

NASA Astrophysics Data System (ADS)

Alidoust, Mohammad; Hamzehpour, Hossein

2017-10-01

Employing a Keldysh-Eilenberger technique, we theoretically study the generation of a spontaneous supercurrent and the appearance of the φ0 phase shift parallel to uniformly in-plane magnetized superconducting interfaces made of the surface states of a three-dimensional topological insulator. We consider two weakly coupled uniformly magnetized superconducting surfaces where a macroscopic phase difference between the s -wave superconductors can be controlled externally. We find that, depending on the magnetization strength and orientation on each side, a spontaneous supercurrent due to the φ0 states flows parallel to the interface at the nanojunction location. Our calculations demonstrate that nonsinusoidal phase relations of current components with opposite directions result in maximal spontaneous supercurrent at phase differences close to π . We also study the Andreev subgap channels at the interface and show that the spin-momentum locking phenomenon in the surface states can be uncovered through density of states studies. We finally discuss realistic experimental implications of our findings.

LORETA EEG phase reset of the default mode network.

PubMed

Thatcher, Robert W; North, Duane M; Biver, Carl J

2014-01-01

The purpose of this study was to explore phase reset of 3-dimensional current sources in Brodmann areas located in the human default mode network (DMN) using Low Resolution Electromagnetic Tomography (LORETA) of the human electroencephalogram (EEG). The EEG was recorded from 19 scalp locations from 70 healthy normal subjects ranging in age from 13 to 20 years. A time point by time point computation of LORETA current sources were computed for 14 Brodmann areas comprising the DMN in the delta frequency band. The Hilbert transform of the LORETA time series was used to compute the instantaneous phase differences between all pairs of Brodmann areas. Phase shift and lock durations were calculated based on the 1st and 2nd derivatives of the time series of phase differences. Phase shift duration exhibited three discrete modes at approximately: (1) 25 ms, (2) 50 ms, and (3) 65 ms. Phase lock duration present primarily at: (1) 300-350 ms and (2) 350-450 ms. Phase shift and lock durations were inversely related and exhibited an exponential change with distance between Brodmann areas. The results are explained by local neural packing density of network hubs and an exponential decrease in connections with distance from a hub. The results are consistent with a discrete temporal model of brain function where anatomical hubs behave like a "shutter" that opens and closes at specific durations as nodes of a network giving rise to temporarily phase locked clusters of neurons for specific durations.

Pion-nucleon scattering in covariant baryon chiral perturbation theory with explicit Delta resonances

NASA Astrophysics Data System (ADS)

Yao, De-Liang; Siemens, D.; Bernard, V.; Epelbaum, E.; Gasparyan, A. M.; Gegelia, J.; Krebs, H.; Meißner, Ulf-G.

2016-05-01

We present the results of a third order calculation of the pion-nucleon scattering amplitude in a chiral effective field theory with pions, nucleons and delta resonances as explicit degrees of freedom. We work in a manifestly Lorentz invariant formulation of baryon chiral perturbation theory using dimensional regularization and the extended on-mass-shell renormalization scheme. In the delta resonance sector, the on mass-shell renormalization is realized as a complex-mass scheme. By fitting the low-energy constants of the effective Lagrangian to the S- and P -partial waves a satisfactory description of the phase shifts from the analysis of the Roy-Steiner equations is obtained. We predict the phase shifts for the D and F waves and compare them with the results of the analysis of the George Washington University group. The threshold parameters are calculated both in the delta-less and delta-full cases. Based on the determined low-energy constants, we discuss the pion-nucleon sigma term. Additionally, in order to determine the strangeness content of the nucleon, we calculate the octet baryon masses in the presence of decuplet resonances up to next-to-next-to-leading order in SU(3) baryon chiral perturbation theory. The octet baryon sigma terms are predicted as a byproduct of this calculation.

Large radius of curvature measurement based on virtual quadratic Newton rings phase-shifting moiré-fringes measurement method in a nonnull interferometer.

PubMed

Yang, Zhongming; Wang, Kailiang; Cheng, Jinlong; Gao, Zhishan; Yuan, Qun

2016-06-10

We have proposed a virtual quadratic Newton rings phase-shifting moiré-fringes measurement method in a nonnull interferometer to measure the large radius of curvature for a spherical surface. In a quadratic polar coordinate system, linear carrier testing Newton rings interferogram and virtual Newton rings interferogram form the moiré fringes. It is possible to retrieve the wavefront difference data between the testing and standard spherical surface from the moiré fringes after low-pass filtering. Based on the wavefront difference data, we deduced a precise formula to calculate the radius of curvature in the quadratic polar coordinate system. We calculated the retrace error in the nonnull interferometer using the multi-configuration model of the nonnull interferometric system in ZEMAX. Our experimental results indicate that the measurement accuracy is better than 0.18% for a spherical mirror with a radius of curvature of 41,400 mm.

The relative importance of fluid and kinetic frequency shifts of an electron plasma wave

NASA Astrophysics Data System (ADS)

Winjum, B. J.; Fahlen, J.; Mori, W. B.

2007-10-01

The total nonlinear frequency shift of a plasma wave including both fluid and kinetic effects is estimated when the phase velocity of the wave is much less than the speed of light. Using a waterbag or fluid model, the nonlinear frequency shift due to harmonic generation is calculated for an arbitrary shift in the wavenumber. In the limit where the wavenumber does not shift, the result is in agreement with previously published work [R. L. Dewar and J. Lindl, Phys. Fluids 15, 820 (1972); T. P. Coffey, Phys. Fluids 14, 1402 (1971)]. This shift is compared to the kinetic shift of Morales and O'Neil [G. J. Morales and T. M. O'Neil, Phys. Rev. Lett. 28, 417 (1972)] for wave amplitudes and values of kλD of interest to Raman backscatter of a laser driver in inertial confinement fusion.

Structure and dynamics of ND3BF3 in the solid and gas phases: a combined NMR, neutron diffraction, and Ab initio study.

PubMed

Penner, Glenn H; Ruscitti, Bruno; Reynolds, Julie; Swainson, Ian

2002-12-30

The decrease in D-->A bond lengths, previously reported for some Lewis acid/base complexes, in going from the gas to the solid phases is investigated by obtaining an accurate crystal structure of solid ND(3)BF(3) by powder neutron diffraction. The B-N internuclear distance is 1.554(3) A, 0.118 A shorter than the most recent gas-phase microwave value and 0.121 A shorter than the single molecule geometry optimized (1.672 A, CISD/6-311++G(d,p)) bond length. The crystal structure also shows N-D.F-B hydrogen bonds. The effects of this change in structure and of intermolecular hydrogen-bonding on nuclear magnetic shielding (i.e., chemical shifts) and the nuclear quadrupolar coupling constants (QCC) are investigated by ab initio molecular orbital and density functional theory calculations. These calculations show that the nitrogen ((15)N and (14)N) and boron ((11)B and (10)B) chemical shifts should be rather insensitive to changes in r(BN) and that the concomitant changes in molecular structure. Calculations on hydrogen-bonded clusters, based on the crystal structure, indicate that H-bonding should also have very little effect on the chemical shifts. On the other hand, the (11)B and (14)N QCCs show large changes because of both effects. An analysis of the (10)B[(19)F] line shape in solid ND(3)(10)BF(3) yields a (11)B QCC of +/-0.130 MHz. This is reasonably close an earlier value of +/-0.080 MHz and the value of +/-0.050 MHz calculated for a [NH(3)BF(3)](4) cluster. The gas-phase value is 1.20 MHz. Temperature-dependent deuterium T(1) measurements yield an activation energy for rotation of the ND(3) group in solid ND(3)BF(3) of 9.5 +/- 0.1 kJ/mol. Simulations of the temperature-dependent T(1) anisotropy gave an E(a) of 9.5 +/- 0.2 kJ/mol and a preexponential factor, A, of 3.0 +/- 0.1 x 10(12) s(-)(1). Our calculated value for a [NH(3)BF(3)](4) cluster is 16.4 kJ/mol. Both are much higher than the previous value of 3.9 kJ/mol, from solid-state proton T(1) measurements.

Multimodal pressure-flow method to assess dynamics of cerebral autoregulation in stroke and hypertension.

PubMed

Novak, Vera; Yang, Albert C C; Lepicovsky, Lukas; Goldberger, Ary L; Lipsitz, Lewis A; Peng, Chung-Kang

2004-10-25

This study evaluated the effects of stroke on regulation of cerebral blood flow in response to fluctuations in systemic blood pressure (BP). The autoregulatory dynamics are difficult to assess because of the nonstationarity and nonlinearity of the component signals. We studied 15 normotensive, 20 hypertensive and 15 minor stroke subjects (48.0 +/- 1.3 years). BP and blood flow velocities (BFV) from middle cerebral arteries (MCA) were measured during the Valsalva maneuver (VM) using transcranial Doppler ultrasound. A new technique, multimodal pressure-flow analysis (MMPF), was implemented to analyze these short, nonstationary signals. MMPF analysis decomposes complex BP and BFV signals into multiple empirical modes, representing their instantaneous frequency-amplitude modulation. The empirical mode corresponding to the VM BP profile was used to construct the continuous phase diagram and to identify the minimum and maximum values from the residual BP (BPR) and BFV (BFVR) signals. The BP-BFV phase shift was calculated as the difference between the phase corresponding to the BPR and BFVR minimum (maximum) values. BP-BFV phase shifts were significantly different between groups. In the normotensive group, the BFVR minimum and maximum preceded the BPR minimum and maximum, respectively, leading to large positive values of BP-BFV shifts. In the stroke and hypertensive groups, the resulting BP-BFV phase shift was significantly smaller compared to the normotensive group. A standard autoregulation index did not differentiate the groups. The MMPF method enables evaluation of autoregulatory dynamics based on instantaneous BP-BFV phase analysis. Regulation of BP-BFV dynamics is altered with hypertension and after stroke, rendering blood flow dependent on blood pressure.

A phase response curve to single bright light pulses in human subjects

NASA Technical Reports Server (NTRS)

Khalsa, Sat Bir S.; Jewett, Megan E.; Cajochen, Christian; Czeisler, Charles A.

2003-01-01

The circadian pacemaker is differentially sensitive to the resetting effects of retinal light exposure, depending upon the circadian phase at which the light exposure occurs. Previously reported human phase response curves (PRCs) to single bright light exposures have employed small sample sizes, and were often based on relatively imprecise estimates of circadian phase and phase resetting. In the present study, 21 healthy, entrained subjects underwent pre- and post-stimulus constant routines (CRs) in dim light (approximately 2-7 lx) with maintained wakefulness in a semi-recumbent posture. The 6.7 h bright light exposure stimulus consisted of alternating 6 min fixed gaze (approximately 10 000 lx) and free gaze (approximately 5000-9000 lx) exposures. Light exposures were scheduled across the circadian cycle in different subjects so as to derive a PRC. Plasma melatonin was used to determine the phase of the onset, offset, and midpoint of the melatonin profiles during the CRs. Phase shifts were calculated as the difference in phase between the pre- and post-stimulus CRs. The resultant PRC of the midpoint of the melatonin rhythm revealed a characteristic type 1 PRC with a significant peak-to-trough amplitude of 5.02 h. Phase delays occurred when the light stimulus was centred prior to the critical phase at the core body temperature minimum, phase advances occurred when the light stimulus was centred after the critical phase, and no phase shift occurred at the critical phase. During the subjective day, no prolonged 'dead zone' of photic insensitivity was apparent. Phase shifts derived using the melatonin onsets showed larger magnitudes than those derived from the melatonin offsets. These data provide a comprehensive characterization of the human PRC under highly controlled laboratory conditions.

I = 2 ππ scattering phase shift from the HAL QCD method with the LapH smearing

NASA Astrophysics Data System (ADS)

Kawai, Daisuke; Aoki, Sinya; Doi, Takumi; Ikeda, Yoichi; Inoue, Takashi; Iritani, Takumi; Ishii, Noriyoshi; Miyamoto, Takaya; Nemura, Hidekatsu; Sasaki, Kenji

2018-04-01

Physical observables, such as the scattering phase shifts and binding energy, calculated from the non-local HAL QCD potential do not depend on the sink operators used to define the potential. In practical applications, the derivative expansion of the non-local potential is employed, so that physical observables may receive some scheme dependence at a given order of the expansion. In this paper, we compare the I=2ππ scattering phase shifts obtained in the point-sink scheme (the standard scheme in the HAL QCD method) and the smeared-sink scheme (the LapH smearing newly introduced in the HAL QCD method). Although potentials in different schemes have different forms as expected, we find that, for reasonably small smearing size, the resultant scattering phase shifts agree with each other if the next-to-leading-order (NLO) term is taken into account. We also find that the HAL QCD potential in the point-sink scheme has a negligible NLO term for a wide range of energies, which implies good convergence of the derivative expansion, while the potential in the smeared-sink scheme has a non-negligible NLO contribution. The implications of this observation for future studies of resonance channels (such as the I=0 and 1ππ scatterings) with smeared all-to-all propagators are briefly discussed.

Applications of the Hybrid Theory to the Scattering of Electrons from HE+ and Li++ and Resonances in these Systems

NASA Technical Reports Server (NTRS)

Bhatia, Anand K.

2008-01-01

Applications of the hybrid theory to the scattering of electrons from Ile+ and Li++ and resonances in these systems, A. K. Bhatia, NASA/Goddard Space Flight Center- The Hybrid theory of electron-hydrogen elastic scattering [I] is applied to the S-wave scattering of electrons from He+ and Li++. In this method, both short-range and long-range correlations are included in the Schrodinger equation at the same time. Phase shifts obtained in this calculation have rigorous lower bounds to the exact phase shifts and they are compared with those obtained using the Feshbach projection operator formalism [2], the close-coupling approach [3], and Harris-Nesbet method [4]. The agreement among all the calculations is very good. These systems have doubly-excited or Feshbach resonances embedded in the continuum. The resonance parameters for the lowest ' S resonances in He and Li+ are calculated and they are compared with the results obtained using the Feshbach projection operator formalism [5,6]. It is concluded that accurate resonance parameters can be obtained by the present method, which has the advantage of including corrections due to neighboring resonances and the continuum in which these resonances are embedded.

Toward regional corrections of long period CMT inversions using InSAR

NASA Astrophysics Data System (ADS)

Shakibay Senobari, N.; Funning, G.; Ferreira, A. M.

2017-12-01

One of InSAR's main strengths, with respect to other methods of studying earthquakes, is finding the accurate location of the best point source (or `centroid') for an earthquake. While InSAR data have great advantages for study of shallow earthquakes, the number of earthquakes for which we have InSAR data is low, compared with the number of earthquakes recorded seismically. And though improvements to SAR satellite constellations have enhanced the use of InSAR data during earthquake response, post-event data still have a latency on the order of days. On the other hand, earthquake centroid inversion methods using long period seismic data (e.g. the Global CMT method) are fast but include errors caused by inaccuracies in both the Earth velocity model and in wave propagation assumptions (e.g. Hjörleifsdóttir and Ekström, 2010; Ferreira and Woodhouse, 2006). Here we demonstrate a method that combines the strengths of both methods, calculating regional travel-time corrections for long-period waveforms using accurate centroid locations from InSAR, then applying these to other events that occur in the same region. Our method is based on the observation that synthetic seismograms produced from InSAR source models and locations match the data very well except for some phase shifts (travel time biases) between the two waveforms, likely corresponding to inaccuracies in Earth velocity models (Weston et al., 2014). Our previous work shows that adding such phase shifts to the Green's functions can improve the accuracy of long period seismic CMT inversions by reducing tradeoffs between the moment tensor components and centroid location (e.g. Shakibay Senobari et al., AGU Fall Meeting 2015). Preliminary work on several pairs of neighboring events (e.g. Landers-Hector Mine, the 2000 South Iceland earthquake sequences) shows consistent azimuthal patterns of these phase shifts for nearby events at common stations. These phase shift patterns strongly suggest that it is possible to determine regional corrections for the source regions of these events. The aim of this project is to perform a full CMT inversion using the phase shift corrections, calculated for nearby events, to observe improvement in CMT locations and solutions. We will demonstrate our method on the five M 6 events that occurred in central Italy between 1997 and 2016.

Ab initio 27Al NMR chemical shifts and quadrupolar parameters for Al2O3 phases and their precursors

NASA Astrophysics Data System (ADS)

Ferreira, Ary R.; Küçükbenli, Emine; Leitão, Alexandre A.; de Gironcoli, Stefano

2011-12-01

The gauge-including projector augmented wave (GIPAW) method, within the density functional theory (DFT) generalized gradient approximation (GGA) framework, is applied to compute solid state NMR parameters for 27Al in the α, θ, and κ aluminium oxide phases and their gibbsite and boehmite precursors. The results for well established crystalline phases compare very well with available experimental data and provide confidence in the accuracy of the method. For γ-alumina, four structural models proposed in the literature are discussed in terms of their ability to reproduce the experimental spectra also reported in the literature. Among the considered models, the Fd3¯m structure proposed by Paglia [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.71.224115 71, 224115 (2005)] shows the best agreement. We attempt to link the theoretical NMR parameters to the local geometry. Chemical shifts depend on coordination number but no further correlation is found with geometrical parameters. Instead, our calculations reveal that, within a given coordination number, a linear correlation exists between chemical shifts and Born effective charges.

Three-dimensional motion-picture imaging of dynamic object by parallel-phase-shifting digital holographic microscopy using an inverted magnification optical system

NASA Astrophysics Data System (ADS)

Fukuda, Takahito; Shinomura, Masato; Xia, Peng; Awatsuji, Yasuhiro; Nishio, Kenzo; Matoba, Osamu

2017-04-01

We constructed a parallel-phase-shifting digital holographic microscopy (PPSDHM) system using an inverted magnification optical system, and succeeded in three-dimensional (3D) motion-picture imaging for 3D displacement of a microscopic object. In the PPSDHM system, the inverted and afocal magnification optical system consisted of a microscope objective (16.56 mm focal length and 0.25 numerical aperture) and a convex lens (300 mm focal length and 82 mm aperture diameter). A polarization-imaging camera was used to record multiple phase-shifted holograms with a single-shot exposure. We recorded an alum crystal, sinking down in aqueous solution of alum, by the constructed PPSDHM system at 60 frames/s for about 20 s and reconstructed high-quality 3D motion-picture image of the crystal. Then, we calculated amounts of displacement of the crystal from the amounts in the focus plane and the magnifications of the magnification optical system, and obtained the 3D trajectory of the crystal by that amounts.

Dissociation, absorption and ionization of some important sulfur oxoanions (S2On2- n = 2, 3, 4, 6, 7 and 8)

NASA Astrophysics Data System (ADS)

Abedi, M.; Farrokhpour, H.; Farnia, S.; Chermahini, A. Najafi

2015-08-01

In this work, a systematic theoretical study was performed on the dissociation, absorption and ionization of several important sulfur oxoanions (S2On2- (n = 2, 3, 4, 6, 7 and 8)). ΔEelec (thermal corrected energy), ΔH° and ΔG° of the dissociation reactions of the oxoanions to their radical monoanions were calculated using combined computational levels of theories such as Gaussian-3 (G3) and a new version of complete basis set method (CBS-4M) in different environments including gas phase, microhydrated in gas phase and different solvents. Calculations showed S2O72- is the most stable anion against the dissociation to its radical monoanions (SO4-rad + SO3-rad). It was also found that S2O42- has more tendency to dissociate to its radical anions (SO2-rad + SO2-rad) compared to the other anions. The absorption spectra of the anions were also calculated using the time-dependent density functional theory (TD-DFT) employing M062X functional. The effect of microhydration and electrostatic field of solvent on the different aspects (intensity, energy shift and assignment) of the absorption spectra of these anions were also discussed. It was observed that both hydrogen bonding and electrostatic effect of water increases the intensity of the absorption spectrum compared to the gas phase. Effect of microhydration in shifting the spectra to the shorter wavelength is considerably higher than the effect of electrostatic field of water. Finally, several gas phase ionization energies of the anions were calculated using the symmetry-adapted cluster-configuration interaction methodology (SAC-CI) and found that the first electron detachment energies of S2O22-, S2O32- and S2O42- are negative. Natural bonding orbital (NBO) calculations were also performed to assign the electron detachment bands of the anions.

The scattering of low energy positrons by helium

NASA Technical Reports Server (NTRS)

Humberston, J. W.

1973-01-01

Kohn's variational method is used to calculate the positron-helium scattering length and low energy S-wave phase shifts for a quite realistic Hylleraas type of helium function containing an electron-electron correlation term. The zero energy wavefunction is used to calculate the value of the annihilation rate parameter Z sub eff. All the results are significantly different from those for Drachman's helium model B, but are in better agreement with the available experimental data.

A theoretical study of diurnal shift in reflection height of VLF waves using IRI electron density model

NASA Astrophysics Data System (ADS)

Madhavi Latha, T.; Peddi Naidu, P.; Madhusudhana Rao, D. N.; Indira Devi, M.

2012-11-01

Electron density profiles for the International Reference Ionosphere (IRI) 2001 and 2007 models have been utilized in evaluating the D-region conductivity parameter in earth ionosphere wave guide calculations. The day to night shift in reflection height of very low frequency (VLF) waves has been calculated using D-region conductivities derived from IRI models and the results are compared with those obtained from phase variation measurements of VLF transmissions from Rugby (England) made at Visakhapatnam (India). The values derived from the models are found to be much lower than those obtained from the experimental measurements. The values derived from the IRI models are in good agreement with those obtained from exponential conductivity model.

DFT calculations of graphene monolayer in presence of Fe dopant and vacancy

NASA Astrophysics Data System (ADS)

Ostovari, Fatemeh; Hasanpoori, Marziyeh; Abbasnejad, Mohaddeseh; Salehi, Mohammad Ali

2018-07-01

In the present work, the effects of Fe doping and vacancies on the electronic, magnetic and optical properties of graphene are studied by density functional theory based calculations. The conductive behavior is revealed for the various defected graphene by means of electronic density of states. However, defected structures show different magnetic and optical properties compared to those of pure one. The ferromagnetic phase is the most probable phase by substituting Fe atoms and vacancies at AA sublattice of graphene. The optical properties of impure graphene differ from pure graphene under illumination with parallel polarization of electric field, whereas for perpendicular polarization it remains unchanged. In presence of defect and under parallel polarization of light, the static dielectric constant rises strongly and the maximum peak of Im ε(ω) shows red shift relative to pure graphene. Moreover, the maximum absorption peak gets broaden in the visible to infrared region at the same condition and the magnitude and related energy of peaks shift to higher value in the EELS spectra. Furthermore, the results show that the maximum values of refractive index and reflectivity spectra increase rapidly and represent the red and blue shifts; respectively. Generally; substituting the C atom with Fe has more effect on magnetic and optical properties relative to the C vacancies.

Integrating an embedded system in a microwave moisture meter

USDA-ARS?s Scientific Manuscript database

The conversion of a PC- or laptop-controlled microwave moisture meter to a stand-alone meter hosting its own embedded system is discussed. The moisture meter measures the attenuation and phase shift of low power microwaves traversing the sample, from which the dielectric properties are calculated. T...

Subtraction method in the Second Random Phase Approximation

NASA Astrophysics Data System (ADS)

Gambacurta, Danilo

2018-02-01

We discuss the subtraction method applied to the Second Random Phase Approximation (SRPA). This method has been proposed to overcome double counting and stability issues appearing in beyond mean-field calculations. We show that the subtraction procedure leads to a considerable reduction of the SRPA downwards shift with respect to the random phase approximation (RPA) spectra and to results that are weakly cutoff dependent. Applications to the isoscalar monopole and quadrupole response in 16O and to the low-lying dipole response in 48Ca are shown and discussed.

SU-E-J-26: A Novel Technique for Markerless Self-Sorted 4D-CBCT Using Patient Motion Modeling: A Feasibility Study

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

Zhang, L; Zhang, Y; Harris, W

2015-06-15

Purpose: To develop an automatic markerless 4D-CBCT projection sorting technique by using a patient respiratory motion model extracted from the planning 4D-CT images. Methods: Each phase of onboard 4D-CBCT is considered as a deformation of one phase of the prior planning 4D-CT. The deformation field map (DFM) is represented as a linear combination of three major deformation patterns extracted from the planning 4D-CT using principle component analysis (PCA). The coefficients of the PCA deformation patterns are solved by matching the digitally reconstructed radiograph (DRR) of the deformed volume to the onboard projection acquired. The PCA coefficients are solved for eachmore » single projection, and are used for phase sorting. Projections at the peaks of the Z direction coefficient are sorted as phase 1 and other projections are assigned into 10 phase bins by dividing phases equally between peaks. The 4D digital extended-cardiac-torso (XCAT) phantom was used to evaluate the proposed technique. Three scenarios were simulated, with different tumor motion amplitude (3cm to 2cm), tumor spatial shift (8mm SI), and tumor body motion phase shift (2 phases) from prior to on-board images. Projections were simulated over 180 degree scan-angle for the 4D-XCAT. The percentage of accurately binned projections across entire dataset was calculated to represent the phase sorting accuracy. Results: With a changed tumor motion amplitude from 3cm to 2cm, markerless phase sorting accuracy was 100%. With a tumor phase shift of 2 phases w.r.t. body motion, the phase sorting accuracy was 100%. With a tumor spatial shift of 8mm in SI direction, phase sorting accuracy was 86.1%. Conclusion: The XCAT phantom simulation results demonstrated that it is feasible to use prior knowledge and motion modeling technique to achieve markerless 4D-CBCT phase sorting. National Institutes of Health Grant No. R01-CA184173 Varian Medical System.« less

Accurate diblock copolymer phase boundaries at strong segregations

NASA Astrophysics Data System (ADS)

Matsen, M. W.; Whitmore, M. D.

1996-12-01

We examine the lamellar/cylinder and cylinder/sphere phase boundaries for strongly segregated diblock copolymer melts using self-consistent-field theory (SCFT) and the standard Gaussian chain model. Calculations are performed with and without the conventional unit-cell approximation (UCA). We find that for strongly segregated melts, the UCA simply produces a small constant shift in each of the phase boundaries. Furthermore, the boundaries are found to be linear at strong segregations when plotted versus (χN)-1, which allows for accurate extrapolations to χN=∞. Our calculations using the UCA allow direct comparisons to strong-segregation theory (SST), which is accepted as the χN=∞ limit of SCFT. A significant discrepancy between the SST and SCFT results indicate otherwise, suggesting that the present formulation of SST is incomplete.

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

LORETA EEG phase reset of the default mode network

PubMed Central

Thatcher, Robert W.; North, Duane M.; Biver, Carl J.

2014-01-01

Objectives: The purpose of this study was to explore phase reset of 3-dimensional current sources in Brodmann areas located in the human default mode network (DMN) using Low Resolution Electromagnetic Tomography (LORETA) of the human electroencephalogram (EEG). Methods: The EEG was recorded from 19 scalp locations from 70 healthy normal subjects ranging in age from 13 to 20 years. A time point by time point computation of LORETA current sources were computed for 14 Brodmann areas comprising the DMN in the delta frequency band. The Hilbert transform of the LORETA time series was used to compute the instantaneous phase differences between all pairs of Brodmann areas. Phase shift and lock durations were calculated based on the 1st and 2nd derivatives of the time series of phase differences. Results: Phase shift duration exhibited three discrete modes at approximately: (1) 25 ms, (2) 50 ms, and (3) 65 ms. Phase lock duration present primarily at: (1) 300–350 ms and (2) 350–450 ms. Phase shift and lock durations were inversely related and exhibited an exponential change with distance between Brodmann areas. Conclusions: The results are explained by local neural packing density of network hubs and an exponential decrease in connections with distance from a hub. The results are consistent with a discrete temporal model of brain function where anatomical hubs behave like a “shutter” that opens and closes at specific durations as nodes of a network giving rise to temporarily phase locked clusters of neurons for specific durations. PMID:25100976

Gouy phase for relativistic quantum particles

NASA Astrophysics Data System (ADS)

Ducharme, R.; da Paz, I. G.

2015-08-01

Exact Hermite-Gaussian solutions to the Klein-Gordon equation for particle beams are obtained here that depend on the 4-position of the beam waist. These are Bateman-Hillion solutions that are shown to include Gouy phase and preserve their forms under Lorentz transformations. As the wave function contains two time coordinates, the particle current must be interpreted in a constraint space to reduce the number of independent coordinates. The form of the constraint space is not certain except in the nonrelativistic limit, but a trial form is proposed, enabling the observable properties of the beam to be calculated for future comparison to experiment. These results can be relevant in the theoretical development of singular electron optics since it was shown that the Gouy phase is crucial in this field as well as to investigate a possible Gouy phase effect in Zitterbewegung phenomenon of spin-zero particles. Additionally, the traditional argument that beam solutions belong to a complex shifted spacetime is shown to necessitate a corresponding Born reciprocal shift in 4-momentum space.

Novel Electronic Structures of Ru-pnictides RuPn (Pn = P, As, Sb)

NASA Astrophysics Data System (ADS)

Goto, H.; Toriyama, T.; Konishi, T.; Ohta, Y.

Density-functional-theory-based electronic structure calculations are made to consider the novel electronic states of Ru-pnictides RuP and RuAs where the intriguing phase transitions and superconductivity under doping of Rh have been reported. We find that there appear nearly degenerate flat bands just at the Fermi level in the high-temperature metallic phase of RuP and RuAs; the flat-band states come mainly from the 4dxy orbitals of Ru ions and the Rh doping shifts the Fermi level just above the flat bands. The splitting of the flat bands caused by their electronic instability may then be responsible for the observed phase transition to the nonmagnetic insulating phase at low temperatures. We also find that the band structure calculated for RuSb resembles that of the doped RuP and RuAs, which is consistent with experiment where superconductivity occurs in RuSb without Rh doping.

Research on effects of phase error in phase-shifting interferometer

NASA Astrophysics Data System (ADS)

Wang, Hongjun; Wang, Zhao; Zhao, Hong; Tian, Ailing; Liu, Bingcai

2007-12-01

Referring to phase-shifting interferometry technology, the phase shifting error from the phase shifter is the main factor that directly affects the measurement accuracy of the phase shifting interferometer. In this paper, the resources and sorts of phase shifting error were introduction, and some methods to eliminate errors were mentioned. Based on the theory of phase shifting interferometry, the effects of phase shifting error were analyzed in detail. The Liquid Crystal Display (LCD) as a new shifter has advantage as that the phase shifting can be controlled digitally without any mechanical moving and rotating element. By changing coded image displayed on LCD, the phase shifting in measuring system was induced. LCD's phase modulation characteristic was analyzed in theory and tested. Based on Fourier transform, the effect model of phase error coming from LCD was established in four-step phase shifting interferometry. And the error range was obtained. In order to reduce error, a new error compensation algorithm was put forward. With this method, the error can be obtained by process interferogram. The interferogram can be compensated, and the measurement results can be obtained by four-step phase shifting interferogram. Theoretical analysis and simulation results demonstrate the feasibility of this approach to improve measurement accuracy.

Time Dependent Channel Packet Calculation of Two Nucleon Scattering Matrix Elements

DTIC Science & Technology

2010-03-01

solutions, 46 ( ) ( )1 1 11 ( ) cos sinL L L L Lr Akr j kr krψ δ η δ= −   (3.70) Here, A is an arbitrary constant, Lδ is the phase shift...iv AFIT/DS/ENP/10-M03 Abstract A new approach to calculating nucleon-nucleon scattering matrix...elements using a proven atomic time-dependent wave packet technique is investigated. Using this technique, reactant and product wave packets containing

Multimodal pressure-flow method to assess dynamics of cerebral autoregulation in stroke and hypertension

PubMed Central

Novak, Vera; Yang, Albert CC; Lepicovsky, Lukas; Goldberger, Ary L; Lipsitz, Lewis A; Peng, Chung-Kang

2004-01-01

Background This study evaluated the effects of stroke on regulation of cerebral blood flow in response to fluctuations in systemic blood pressure (BP). The autoregulatory dynamics are difficult to assess because of the nonstationarity and nonlinearity of the component signals. Methods We studied 15 normotensive, 20 hypertensive and 15 minor stroke subjects (48.0 ± 1.3 years). BP and blood flow velocities (BFV) from middle cerebral arteries (MCA) were measured during the Valsalva maneuver (VM) using transcranial Doppler ultrasound. Results A new technique, multimodal pressure-flow analysis (MMPF), was implemented to analyze these short, nonstationary signals. MMPF analysis decomposes complex BP and BFV signals into multiple empirical modes, representing their instantaneous frequency-amplitude modulation. The empirical mode corresponding to the VM BP profile was used to construct the continuous phase diagram and to identify the minimum and maximum values from the residual BP (BPR) and BFV (BFVR) signals. The BP-BFV phase shift was calculated as the difference between the phase corresponding to the BPR and BFVR minimum (maximum) values. BP-BFV phase shifts were significantly different between groups. In the normotensive group, the BFVR minimum and maximum preceded the BPR minimum and maximum, respectively, leading to large positive values of BP-BFV shifts. Conclusion In the stroke and hypertensive groups, the resulting BP-BFV phase shift was significantly smaller compared to the normotensive group. A standard autoregulation index did not differentiate the groups. The MMPF method enables evaluation of autoregulatory dynamics based on instantaneous BP-BFV phase analysis. Regulation of BP-BFV dynamics is altered with hypertension and after stroke, rendering blood flow dependent on blood pressure. PMID:15504235

Pressure-magnetic field induced phase transformation in Ni{sub 46}Mn{sub 41}In{sub 13} Heusler alloy

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

Rama Rao, N. V., E-mail: nvrrao@dmrl.drdo.in; Manivel Raja, M.; Pandian, S.

2014-12-14

The effect of hydrostatic pressure and magnetic field on the magnetic properties and phase transformation in Ni{sub 46}Mn{sub 41}In{sub 13} Heusler alloy was investigated. Pressure (P)-magnetic field (H)-temperature (T) phase diagram has been constructed from experimental results. In the P–T contour of the phase diagram, the slope of the austenite-martensite phase boundary line appears positive (dT/dP > 0), while it appears negative (dT/dH < 0) in the H–T contour. The results revealed that pressure and magnetic field have opposite effect on phase stabilization. The combined effect of pressure and magnetic field on martensitic transition has led to two important findings: (i) pressure dependent shiftmore » of austenite start temperature (A{sub s}) is higher when larger field is applied, and (ii) field dependent shift of A{sub s} is lowered when a higher pressure is applied. The pressure and magnetic field dependent shift observed in the martensitic transformation has been explained on the basis of thermodynamic calculations. Curie temperature of the phases was found to increase with pressure at a rate of 0.6 K/kbar.« less

Characteristics and issues of an EUVL mask applying phase-shifting thinner absorber for device fabrication

NASA Astrophysics Data System (ADS)

Seo, Hwan-Seok; Lee, Dong-Gun; Ahn, Byung-Sup; Han, Hakseung; Huh, Sungmin; Kang, In-Yong; Kim, Hoon; Kim, Dongwan; Kim, Seong-Sue; Cho, Han-Ku

2009-03-01

Phase-shifting EUVL masks applying thinner absorber are investigated to design optimum mask structure with less shadowing problems. Simulations using S-Litho show that H-V bias in Si capping structure is higher than that of Ru capping since the high n (= 0.999) of Si increases sensible absorber height. Phase differences obtained from the patterned masks using the EUV CSM are well-matched with the calculated values using the practical refractive index of absorber materials. Although the mask with 62.4-nm-thick absorber, among the in-house masks, shows the closest phase ΔΦ(= 176°) to the out-of-phase condition, higher NILS and contrast as well as lower H-V bias are obtained with 52.4-nm-thick absorber (ΔΦ = 151°) which has higher R/R0 ratio. MET results also show that lithography performances including MEEF, PW, and resist threshold (dose), are improved with thinner absorber structure. However, low OD in EUVL mask, especially in thinner absorber structure, results in light leakage from the neighboring exposure shots, and thus an appropriate light-shielding layer should be introduced.

Updates in MRI characterization of the thymus in myasthenic patients.

PubMed

Popa, G A; Preda, E M; Scheau, C; Vilciu, C; Lupescu, I G

2012-06-12

To evaluate the imaging appearance of the thymus in the myasthenic patients by using chemical shift magnetic resonance imaging, and, to correlate the chemical shift ratio (CSR) with pathologic findings after surgical excision. In the past year, a total of 11 myasthenic patients (4 males, 7 females; age range of 26-65 years), have been investigated by MRI centered at the thymic lodge. Our protocol included a Dual-Echo technique, T1-weighted In-phase/Opposed-phase MR images in all patients. A chemical shift ratio (CSR) was calculated by comparing the signal intensity of the thymus gland with that of the chest wall muscle for quantitative analysis. For this purpose, we have used standard region-of-interest electronic cursors at a slice level of the maximum axial surface of the thymus. We have identified two patients groups: a thymic hyperplasia group and a thymic tumoral group. With the decrease in the signal intensity of the thymus gland at chemical shift, the MR imaging was evident only in the hyperplasia group. The mean CSR in the hyperplasia group was considerably lower than that in the tumor group, 0,4964 ± 0,1841, compared with 1,0398 ± 0,0244. The difference in CSR between the hyperplasia and tumor groups was statistically significant (P=0,0028). MR imaging using T1-weighted In-phase/Opposed-phase images could be a useful diagnostic tool in the preoperative assessment of the thymic lodge and may help differentiate thymic hyperplasia from tumors of the thymus gland.

Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation.

PubMed

Tanzi, Luana; Ramondo, Fabio; Guidoni, Leonardo

2012-10-18

Using microsolvation models and mixed quantum/classical ab initio molecular dynamics simulations, we investigate the vibrational properties of two azoles in water solution: pyrazole and oxazole. The effects of the water-azole hydrogen bonding are rationalized by an extensive comparison between structural parameters and harmonic frequencies obtained by microsolvation models. Following the effective normal-mode analysis introduced by Martinez et al. [Martinez et al., J. Chem. Phys. 2006, 125, 144106], we identify the vibrational frequencies of the solutes using the decomposition of the vibrational density of states of the gas phase and solution dynamics. The calculated shifts from gas phase to solution are fairly in agreement with the available experimental data.

Body temperature rhythm and control of the time of the best physical condition by performing physical labor.

PubMed

Imafuku, Michio

2016-01-01

The initial examination of a male subject's body temperature revealed that it was highest during the evening. Based on this observation, I measured grasping power, calculation speed, performance time on a light sensory task and body temperature, all of which were highest or best during the evening. The time of this subject's best physical condition shifted from the evening to morning hours when the subject executed hard physical labor in the morning, and the shifted phase was maintained after the termination of the labor period.

Accurate determination of chemical shift tensor orientations of single-crystals by solid-state magic angle spinning NMR

NASA Astrophysics Data System (ADS)

Avadhut, Yamini S.; Weber, Johannes; Schmedt auf der Günne, Jörn

2017-09-01

An improved implementation of single-crystal magic-angle-spinning (MAS) NMR is presented which gives access to chemical shift tensors both in orientation (relative to the crystal axis system) and principal axis values. For mounting arbitrary crystals inside ordinary MAS rotors, a mounting tool is described which allows to relate the crystal orientation determined by diffraction techniques to the rotor coordinate system. The crystal is finally mounted into a MAS rotor equipped with a special insert which allows a defined reorientation of the single-crystal by 90°. The approach is based on the idea that the dispersive spectra, which are obtained when applying read-pulses at specific rotor-phases, not only yield the size of the eigenvalues but also encode the orientation of the different chemical shift (rank-2) tensors. For this purpose two 2D-data sets with orthogonal crystal orientation are fitted simultaneously. The presented analysis for chemical shift tensors is supported by an analytical formula which allows fast calculation of phase and amplitude of individual spinning side-bands and by a protocol which solves the problem of finding the correct reference phase of the spectrum. Different rotor-synchronized pulse-sequences are introduced for the same reason. Experiments are performed on L-alanine and O-phosphorylethanolamine and the observed errors are analyzed in detail. The experimental data are opposed to DFT-computed chemical shift tensors which have been obtained by the extended embedded ion method.

Interaction Between New Anti-cancer Drug Syndros and CNT(6,6-6) Nanotube for Medical Applications: Geometry Optimization, Molecular Structure, Spectroscopic (NMR, UV/Vis, Excited state), FMO, MEP and HOMO-LUMO Investigation

NASA Astrophysics Data System (ADS)

Sheikhi, Masoome; Shahab, Siyamak; Khaleghian, Mehrnoosh; Kumar, Rakesh

2018-03-01

In the present work, Density Functional Theory (DFT) was first time employed to investigate the interaction between new drug (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol (Syndros) and the CNT(6,6-6) Nanotube in the gaseous phase. The interaction effects of compounds Syndros and CNT (6,6-6) nanotube on the electronic properties, chemical shift tensors and natural charge was also determined and discussed. The electronic spectra of the Syndros and the complex CNT(6,6-6)/Syndros in the gas phase were calculated by Time Dependent Density Functional Theory (TD-DFT) for the formation of adsorption effect on maximum wavelength of the Syndros. Nucleus-Independent Chemical Shifts (NICS) calculations have also been carried out for the compound Syndors and the complex CNT(6,6-6)/Syndros and the aromaticity of the compound Syndors before and after interaction with the CNT(6,6-6) Nanotube was investigated.

A COCHLEAR MODEL USING THE TIME-AVERAGED LAGRANGIAN AND THE PUSH-PULL MECHANISM IN THE ORGAN OF CORTI.

PubMed

Yoon, Yongjin; Puria, Sunil; Steele, Charles R

2009-09-05

In our previous work, the basilar membrane velocity V(BM) for a gerbil cochlea was calculated and compared with physiological measurements. The calculated V(BM) showed excessive phase excursion and, in the active case, a best-frequency place shift of approximately two fifths of an octave higher. Here we introduce a refined model that uses the time-averaged Lagrangian for the conservative system to resolve the phase excursion issues. To improve the overestimated best-frequency place found in the previous feed-forward active model, we implement in the new model a push-pull mechanism from the outer hair cells and phalangeal process. Using this new model, the V(BM) for the gerbil cochlea was calculated and compared with animal measurements, The results show excellent agreement for mapping the location of the maximum response to frequency, while the agreement for the response at a fixed point as a function of frequency is excellent for the amplitude and good for the phase.

A COCHLEAR MODEL USING THE TIME-AVERAGED LAGRANGIAN AND THE PUSH-PULL MECHANISM IN THE ORGAN OF CORTI

PubMed Central

YOON, YONGJIN; PURIA, SUNIL; STEELE, CHARLES R.

2010-01-01

In our previous work, the basilar membrane velocity VBM for a gerbil cochlea was calculated and compared with physiological measurements. The calculated VBM showed excessive phase excursion and, in the active case, a best-frequency place shift of approximately two fifths of an octave higher. Here we introduce a refined model that uses the time-averaged Lagrangian for the conservative system to resolve the phase excursion issues. To improve the overestimated best-frequency place found in the previous feed-forward active model, we implement in the new model a push-pull mechanism from the outer hair cells and phalangeal process. Using this new model, the VBM for the gerbil cochlea was calculated and compared with animal measurements, The results show excellent agreement for mapping the location of the maximum response to frequency, while the agreement for the response at a fixed point as a function of frequency is excellent for the amplitude and good for the phase. PMID:20485540

Blue- and Red-Shifting Hydrogen Bonding: A Gas Phase FTIR and Ab Initio Study of RR'CO···DCCl3 and RR'S···DCCl3 Complexes.

PubMed

Behera, B; Das, Puspendu K

2018-05-10

Blue-shifting H-bonded (C-D···O) complexes between CDCl 3 and CH 3 HCO, (CH 3 ) 2 CO, and C 2 H 5 (CH 3 )CO, and red-shifting H-bonded (C-D···S) complexes between CDCl 3 with (CH 3 ) 2 S and (C 2 H 5 ) 2 S have been identified by Fourier transform infrared spectroscopy in the gas phase at room temperature. With increasing partial pressure of the components, a new band appears in the C-D stretching region of the vibrational spectra. The intensity of this band decreases with an increase in temperature at constant pressure, which provides the basis for identification of the H-bonded bands in the spectrum. The C-D stretching frequency of CDCl 3 is blue-shifted by +7.1, +4, and +3.2 cm -1 upon complexation with CH 3 HCO, (CH 3 ) 2 CO, and C 2 H 5 (CH 3 )CO, respectively, and red-shifted by -14 and -19.2 cm -1 upon complexation with (CH 3 ) 2 S and (C 2 H 5 ) 2 S, respectively. By using quantum chemical calculations at the MP2/6-311++G** level, we predict the geometry, electronic structural parameters, binding energy, and spectral shift of H-bonded complexes between CDCl 3 and two series of compounds named RCOR' (H 2 CO, CH 3 HCO, (CH 3 ) 2 CO, and C 2 H 5 (CH 3 )CO) and RSR' (H 2 S, CH 3 HS, (CH 3 ) 2 S, and (C 2 H 5 ) 2 S) series. The calculated and observed spectral shifts follow the same trends. With an increase in basicity of the H-bond acceptor, the C-D bond length increases, force constant decreases, and the frequency shifts to the red from the blue. The potential energy scans of the above complexes are done, which show that electrostatic attraction between electropositive D and electron-rich O/S causes bond elongation and red shift, and the electronic and nuclear repulsions lead to bond contraction and blue shifts. The dominance of the two opposing forces at the equilibrium geometry of the complex determines the nature of the shift, which changes both in magnitude and in direction with the basicity of the hydrogen-bond acceptor.

Computational study of Ca, Sr and Ba under pressure

NASA Astrophysics Data System (ADS)

Jona, F.; Marcus, P. M.

2006-05-01

A first-principles procedure for the calculation of equilibrium properties of crystals under hydrostatic pressure is applied to Ca, Sr and Ba. The procedure is based on minimizing the Gibbs free energy G (at zero temperature) with respect to the structure at a given pressure p, and hence does not require the equation of state to fix the pressure. The calculated lattice constants of Ca, Sr and Ba are shown to be generally closer to measured values than previous calculations using other procedures. In particular for Ba, where careful and extensive pressure data are available, the calculated lattice parameters fit measurements to about 1% in three different phases, both cubic and hexagonal. Rigid-lattice transition pressures between phases which come directly from the crossing of G(p) curves are not close to measured transition pressures. One reason is the need to include zero-point energy (ZPE) of vibration in G. The ZPE of cubic phases is calculated with a generalized Debye approximation and applied to Ca and Sr, where it produces significant shifts in transition pressures. An extensive tabulation is given of structural parameters and elastic constants from the literature, including both theoretical and experimental results.

Effect of phase lag on cyclic durability of laminated composite

NASA Astrophysics Data System (ADS)

Andersons, Janis; Limonov, V.; Tamuzs, Vitants

1992-07-01

Theoretical and experimental results on fatigue of laminated fiber reinforced composites under out-of-phase, biaxial cyclic loading are presented. Experiments were carried out on tubular filament wound samples of epoxy matrix/organic (Kevlar type) fiber composites. Fatigue strength under two different loading modes, namely cyclic torsion combined with axial tension or compression, was investigated for phase lags psi = 0, pi/2, and pi. Durability was shown to decrease with increasing phase shift both for axial tension (R = 0.1) and compression (R = 10). A matrix failure criterion was proposed for a unidirectionally reinforced ply, and the ply discount method was modified to account for phase lag. Calculated S-N curves agree reasonably well with experimental data.

Role of the strange quark in the rho(770) meson

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

Molina Peralta, Raquel; Guo, Dehua; Hu, B.

2017-03-01

Recently, the GWU lattice group has evaluated high-precision phase-shift data formore » $$\\pi\\pi$$ scattering in the $I = 1$, $J = 1$ channel. Unitary Chiral Perturbation Theory describes these data well around the resonance region and for different pion masses. Moreover, it allows to extrapolate to the physical point and estimate the effect of the missing $$K\\bar{K}$$ channel in the two-flavor lattice calculation. The absence of the strange quark in the lattice data leads to a lower $$\\rho$$ mass, and the analysis with U$$\\chi$$PT shows that the $$K \\bar{K}$$ channel indeed pushes the $$\\pi\\pi$$-scattering phase shift upward, having a surprisingly large effect on the $$\\rho$$-mass. The inelasticity is shown to be compatible with the experimental data. The analysis is then extended to all available two-flavor lattice simulations and similar mass shifts are observed. Chiral extrapolations of $$N_f = 2 + 1$$ lattice simulations for the $$\\rho(770)$$ are also reported.« less

An achromatic four-mirror compensator for spectral ellipsometers

NASA Astrophysics Data System (ADS)

Kovalev, V. I.; Rukovishnikov, A. I.; Kovalev, S. V.; Kovalev, V. V.; Rossukanyi, N. M.

2017-07-01

Measurement and calculation results are presented that confirm that design four-mirror compensators can be designed for the spectral range of 200-2000 nm that is widely used in modern spectral ellipsometers. Measurements and calculations according to standard ellipsometric programs have been carried out on a broadband LED spectral ellipsometer with switching of orthogonal polarization states. Mirrors with the structure of glass substrate/Al2O3 layer (20-30 nm thick)/Al layer (150 nm thick)/upper Al2O3 layer (with specified thickness d) have been prepared by vacuum-evaporation method. It is shown that the phase-shift spectra of a four-mirror compensator, two mirrors of which have a native oxide 5.5 nm thick and the two others of which have an oxide layer 36 nm thick, measured on the ellipsometer, are flattened in comparison with similar spectra of a compensator, all four mirrors of which have a native oxide, especially in the short-wavelength spectral region. The results of calculating the phase-shift spectra of the four-mirror compensator with six variable parameters (angles of incidence of radiation on the mirrors and thicknesses of oxide layers on four mirrors) are presented. High-quality achromatization in a wide spectral range can be achieved for certain sets of parameters.

Determination of Young's modulus of epoxy coated polyethylene micro-cantilever using phase-shift shadow moiré method

NASA Astrophysics Data System (ADS)

Lim, J. H.; Ratnam, M. M.; Azid, I. A.; Mutharasu, D.

2011-11-01

Young's moduli of various epoxy coated polyethylene terephthalate (PET) micro-cantilevers were determined from the deflection results obtained using the phase-shift shadow moiré (PSSM) method. The filler materials for epoxy coatings were aluminum and graphite powders that were mixed with epoxy at various percentages. Young's moduli were calculated from theory based on the deflection results. The PET micro-cantilever coated with aluminum-epoxy coating showed increasing value of Young's modulus when the ratios of the aluminum-epoxy were increased. The graphite-epoxy coating on the PET micro-cantilever also showed the same trend. The experimental results also show that Young's modulus of the graphite-epoxy coating is higher than aluminum-epoxy coating in comparison at the same mixing ratio.

Massive spin-2 scattering and asymptotic superluminality

NASA Astrophysics Data System (ADS)

Hinterbichler, Kurt; Joyce, Austin; Rosen, Rachel A.

2018-03-01

We place model-independent constraints on theories of massive spin-2 particles by considering the positivity of the phase shift in eikonal scattering. The phase shift is an asymptotic S-matrix observable, related to the time delay/advance experienced by a particle during scattering. Demanding the absence of a time advance leads to constraints on the cubic vertices present in the theory. We find that, in theories with massive spin-2 particles, requiring no time advance means that either: (i) the cubic vertices must appear as a particular linear combination of the Einstein-Hilbert cubic vertex and an h μν 3 potential term or (ii) new degrees of freedom or strong coupling must enter at parametrically the mass of the massive spin-2 field. These conclusions have implications for a variety of situations. Applied to theories of large- N QCD, this indicates that any spectrum with an isolated massive spin-2 at the bottom must have these particular cubic self-couplings. Applied to de Rham-Gabadadze-Tolley massive gravity, the constraint is in accord with results obtained from a shockwave calculation: of the two free dimensionless parameters in the theory there is a one parameter line consistent with a subluminal phase shift.

Universality and tails of long-range interactions in one dimension

NASA Astrophysics Data System (ADS)

Valiente, Manuel; Öhberg, Patrik

2017-07-01

Long-range interactions and, in particular, two-body potentials with power-law long-distance tails are ubiquitous in nature. For two bosons or fermions in one spatial dimension, the latter case being formally equivalent to three-dimensional s -wave scattering, we show how generic asymptotic interaction tails can be accounted for in the long-distance limit of scattering wave functions. This is made possible by introducing a generalization of the collisional phase shifts to include space dependence. We show that this distance dependence is universal, in that it does not depend on short-distance details of the interaction. The energy dependence is also universal, and is fully determined by the asymptotic tails of the two-body potential. As an important application of our findings, we describe how to eliminate finite-size effects with long-range potentials in the calculation of scattering phase shifts from exact diagonalization. We show that even with moderately small system sizes it is possible to accurately extract phase shifts that would otherwise be plagued with finite-size errors. We also consider multichannel scattering, focusing on the estimation of open channel asymptotic interaction strengths via finite-size analysis.

Blood flow velocity measurement by endovascular Doppler optical coherence tomography

NASA Astrophysics Data System (ADS)

Sun, Cuiru; Nolte, Felix; Vuong, Barry; Cheng, Kyle H. Y.; Lee, Kenneth K. C.; Standish, Beau A.; Courtney, Brian; Marotta, Tom R.; Yang, Victor X. D.

2013-03-01

Blood flow velocity and volumetric flow measurements are important parameters for assessment of the severity of stenosis and the outcome of interventional therapy. However, feasibility of intravascular flow measurement using a rotational catheter based phase resolved Doppler optical coherence tomography (DOCT) is difficult. Motion artefacts induced by the rotating optical imaging catheter, and the radially dependent noise background of measured Doppler signals are the main challenges encountered. In this study, a custom-made data acquisition system and developed algorithms to remove non-uniform rotational distortion (NURD) induced phase shift artefact by tracking the phase shift observed on catheter sheath. The flow velocity is calculated from Doppler shift obtained by Kasai autocorrelation after motion artefact removal. Blood flow velocity profiles in porcine carotid arteries in vivo were obtained at 100 frames/s with 500 A-lines/frame and DOCT images were taken at 20 frames/s with 2500 A-lines/frame. Time-varying velocity profiles were obtained at an artery branch. Furthermore, the identification of a vein adjacent to the catheterized vessel based on the color Doppler signal was also observed. The absolute measurement of intravascular flow using a rotating fiber catheter can provide insights to different stages of interventional treatment of stenosis in carotid artery.

Quantum-mechanical calculations of magnesium aspartate arginine structure and spectroscopic characteristics

NASA Astrophysics Data System (ADS)

Marcoin, W.; Pasterny, K.; Wrzalik, R.

2005-05-01

Theoretical calculations of magnesium aspartate-arginine (Mg[Asp-Arg]) structure and spectroscopic characteristics have been performed in the gas phase with the GAUSSIAN 98 software package using density functional theory (DFT) at the B3PW91 level. The 6-31+G* basis set was selected due to their reasonable quality and size. The comparison with corresponding results for magnesium aspartate-glycine (Mg[Asp-Gly]) is presented. NMR and IR measurements were carried out and obtained experimental 1H and 13C chemical shifts and IR spectra are compared with calculated spectral parameters.

EMP-002a Phase Shift through the Ionosphere

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

Soltz, R.; Simons, D.; Fenimore, E.

2015-10-20

In this note we review the derivation and use of the Ionospheric Transfer Function (ITF) in the DIO- RAMA model to calculate the propagation of a broad band ElectroMagnetic Pulse (EMP) through the Ionosphere in the limit of geometric optics. This note is intended to resolve a misunderstanding between the NDS VVA and EMP modeling teams regarding the appropriate use of the phase and group velocities in DIORAMA. The di erent approaches are documented in EMP-002 note, \\Phase vs. Group" [1], generated by the LLNL DIORAMA VVA team, and the subsequent response from the DIORAMA EMP modeling team' [2].

Probing the nature of superfluid helium-3 very near its critical temperature

NASA Astrophysics Data System (ADS)

Nishimori, Arito

We have measured with high resolution the static magnetization and NMR frequency shift of bulk superfluid 3He near its critical point. The static magnetization measurements at 31.4 bars and 33.7 bars in the magnetic field of 36.1 mT show that the size of the magnetization change through the A1 region is smaller than 0.1% of the total magnetization in the normal phase. NMR frequency shifts which have the similar |Delta|2 dependency(Delta:order parameter) to that of the magnetization are measured at the melting pressure in magnetic fields from 29.6 mT to 425 mT using a new feedback technique. We find that the frequency shifts agree very well with the mean field calculations based on the spin fluctuation feedback model proposed by Brinkman, Serene and Anderson(BSA) and there is no high temperature tail above T A1 nor smearing of kinks at TA 1 and TA2 originating from critical fluctuations. From the fitting parameters, the Brinkman-Anderson parameter delta averaged over the data in 92.6 mT, 154 mT and 213 mT at the melting pressure is found to be 0.57+/-0.02. We also obtained the widths of the A1 phase at low magnetic fields. Its linear dependence on magnetic field strength is consistent with the mean field calculation.

Pairwise additivity in the nuclear magnetic resonance interactions of atomic xenon.

PubMed

Hanni, Matti; Lantto, Perttu; Vaara, Juha

2009-04-14

Nuclear magnetic resonance (NMR) of atomic (129/131)Xe is used as a versatile probe of the structure and dynamics of various host materials, due to the sensitivity of the Xe NMR parameters to intermolecular interactions. The principles governing this sensitivity can be investigated using the prototypic system of interacting Xe atoms. In the pairwise additive approximation (PAA), the binary NMR chemical shift, nuclear quadrupole coupling (NQC), and spin-rotation (SR) curves for the xenon dimer are utilized for fast and efficient evaluation of the corresponding NMR tensors in small xenon clusters Xe(n) (n = 2-12). If accurate, the preparametrized PAA enables the analysis of the NMR properties of xenon clusters, condensed xenon phases, and xenon gas without having to resort to electronic structure calculations of instantaneous configurations for n > 2. The binary parameters for Xe(2) at different internuclear distances were obtained at the nonrelativistic Hartree-Fock level of theory. Quantum-chemical (QC) calculations at the corresponding level were used to obtain the NMR parameters of the Xe(n) (n = 2-12) clusters at the equilibrium geometries. Comparison of PAA and QC data indicates that the direct use of the binary property curves of Xe(2) can be expected to be well-suited for the analysis of Xe NMR in the gaseous phase dominated by binary collisions. For use in condensed phases where many-body effects should be considered, effective binary property functions were fitted using the principal components of QC tensors from Xe(n) clusters. Particularly, the chemical shift in Xe(n) is strikingly well-described by the effective PAA. The coordination number Z of the Xe site is found to be the most important factor determining the chemical shift, with the largest shifts being found for high-symmetry sites with the largest Z. This is rationalized in terms of the density of virtual electronic states available for response to magnetic perturbations.

125Te NMR chemical-shift trends in PbTe–GeTe and PbTe–SnTe alloys

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

Njegic, Bosiljka; Levin, Evgenii M.; Schmidt-Rohr, Klaus

2013-10-08

Complex tellurides, such as doped PbTe, GeTe, and their alloys, are among the best thermoelectric materials. Knowledge of the change in 125Te NMR chemical shift due to bonding to dopant or “solute” atoms is useful for determination of phase composition, peak assignment, and analysis of local bonding. We have measured the 125Te NMR chemical shifts in PbTe-based alloys, Pb 1-xGe xTe and Pb 1-xSn xTe, which have a rocksalt-like structure, and analyzed their trends. For low x, several peaks are resolved in the 22-kHz MAS 125Te NMR spectra. A simple linear trend in chemical shifts with the number of Pbmore » neighbors is observed. No evidence of a proposed ferroelectric displacement of Ge atoms in a cubic PbTe matrix is detected at low Ge concentrations. The observed chemical shift trends are compared with the results of DFT calculations, which confirm the linear dependence on the composition of the first-neighbor shell. The data enable determination of the composition of various phases in multiphase telluride materials. They also provide estimates of the 125Te chemical shifts of GeTe and SnTe (+970 and +400±150 ppm, respectively, from PbTe), which are otherwise difficult to access due to Knight shifts of many hundreds of ppm in neat GeTe and SnTe.« less

Generalized pseudopotential approach for electron-atom scattering.

NASA Technical Reports Server (NTRS)

Zarlingo, D. G.; Ishihara, T.; Poe, R. T.

1972-01-01

A generalized many-electron pseudopotential approach is presented for electron-neutral-atom scattering problems. A calculation based on this formulation is carried out for the singlet s-wave and p-wave electron-hydrogen phase shifts with excellent results. We compare the method with other approaches as well as discuss its applications for inelastic and rearrangement collision problems.

Synthesis, NMR, FT-IR, X-ray structural characterization, DFT analysis and isomerism aspects of 5-(2,6-dichlorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione.

PubMed

Barakat, Assem; Al-Najjar, Hany J; Al-Majid, Abdullah Mohammed; Soliman, Saied M; Mabkhot, Yahia Nasser; Shaik, Mohammed Rafi; Ghabbour, Hazem A; Fun, Hoong-Kun

2015-08-05

The synthesis and spectral characterization of the 5-(2,6-dichlorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione;3 was reported. The solid state molecular structure of 3 was studied using X-ray crystallography. The relative stabilities of the seven possible isomers of 3 were calculated by DFT/B3LYP method using 6-311 G(d,p) basis set. The calculated total energies and thermodynamic parameters were used to predict the relative stabilities of these isomers. The effect of solvent polarity on the relative stability of these isomers was studied at the same level of theory using PCM. It was found that the keto form, (T0), is the most stable isomer both in the gaseous state and solution. In solution, the calculated total energies of all isomers are decreased indicating that all isomers are stabilized by the solvent effect. The vibrational spectra of the most stable isomer, 3(T0) are calculated using the same level of theory and the results are compared with the experimentally measured FTIR spectra. Good correlation was obtained between the experimental and calculated vibrational frequencies (R(2)=0.9992). The electronic spectra of 3(T0) in gas phase as well as in solutions were calculated using the TD-DFT method. All the predicted electronic transitions showed very little spectral shifts and increase in the intensity of absorption due to solvent effect. Also the (1)H- and (13)C-NMR chemical shifts of the stable isomer were calculated and the results were correlated with the experimental data. Good correlations between the experimental and calculated chemical shifts were obtained. Copyright © 2015 Elsevier B.V. All rights reserved.

Infrared photodissociation spectroscopy of M(N2)n(+) (M = Y, La, Ce; n = 7-8) in the gas phase.

PubMed

Xie, Hua; Shi, Lei; Xing, Xiaopeng; Tang, Zichao

2016-02-14

M(N2)n(+) (M = Y, La, Ce; n = 7-8) complexes have been studied by infrared photodissociation (IRPD) spectroscopy and density functional theory (DFT) calculations. The experimental results indicate that the N-N stretching vibrational frequencies are red-shifted from the gas-phase N2 value. The π back-donation is found to be a main contributor in these systems. IRPD spectra and DFT calculations reveal the coexistence of two isomers in the seven-coordinate M(N2)7(+) and eight-coordinate M(N2)8(+) complexes, respectively. The present studies on these metal-nitrogen complexes shed light on the interactions and coordinations toward N2 with transition and lanthanide metals.

Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 1,1-difluoro-2-vinyl-cyclopropane

NASA Astrophysics Data System (ADS)

Senthil Raj, P.; Shoba, D.; Ramalingam, S.; Periandy, S.

2015-08-01

All the computational calculations were made in the ground state using the HF and DFT (B3LYP) methods with 6-31++G (d,p) and 6-311++G (d,p) basis sets. Making use of the recorded data, the complete vibrational assignments were made and analysis of the observed fundamental bands of molecule was carried out. The shifting of the frequencies in the vibrational pattern of the title molecule due to the substitutions; sbnd CHdbnd CH2 and F were deeply investigated by the vibrational analysis. Moreover, 13C NMR and 1H NMR chemical shifts were calculated by using the gauge independent atomic orbital (GIAO) method with HF/B3LYP methods with 6-311++G (d,p). A study on the electronic properties, such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. Mulliken charges of the 1DF2VCP were also calculated and interpreted. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase.

Algorithm for calculations of asymptotic nuclear coefficients using phase-shift data for charged-particle scattering

NASA Astrophysics Data System (ADS)

Orlov, Yu. V.; Irgaziev, B. F.; Nabi, Jameel-Un

2017-08-01

A new algorithm for the asymptotic nuclear coefficients calculation, which we call the Δ method, is proved and developed. This method was proposed by Ramírez Suárez and Sparenberg (arXiv:1602.04082.) but no proof was given. We apply it to the bound state situated near the channel threshold when the Sommerfeld parameter is quite large within the experimental energy region. As a result, the value of the conventional effective-range function Kl(k2) is actually defined by the Coulomb term. One of the resulting effects is a wrong description of the energy behavior of the elastic scattering phase shift δl reproduced from the fitted total effective-range function Kl(k2) . This leads to an improper value of the asymptotic normalization coefficient (ANC) value. No such problem arises if we fit only the nuclear term. The difference between the total effective-range function and the Coulomb part at real energies is the same as the nuclear term. Then we can proceed using just this Δ method to calculate the pole position values and the ANC. We apply it to the vertices 4He+12C ↔16O and 3He+4He↔7Be . The calculated ANCs can be used to find the radiative capture reaction cross sections of the transfers to the 16O bound final states as well as to the 7Be.

Quantitative phase imaging using four interferograms with special phase shifts by dual-wavelength in-line phase-shifting interferometry

NASA Astrophysics Data System (ADS)

Xu, Xiaoqing; Wang, Yawei; Ji, Ying; Xu, Yuanyuan; Xie, Ming; Han, Hao

2018-05-01

A new approach of quantitative phase imaging using four interferograms with special phase shifts in dual-wavelength in-line phase-shifting interferometry is presented. In this method, positive negative 2π phase shifts are employed to easily separate the incoherent addition of two single-wavelength interferograms by combining the phase-shifting technique with the subtraction procedure, then the quantitative phase at one of both wavelengths can be achieved based on two intensities without the corresponding dc terms by the use of the character of the trigonometric function. The quantitative phase of the other wavelength can be retrieved from two dc-term suppressed intensities obtained by employing the two-step phase-shifting technique or the filtering technique in the frequency domain. The proposed method is illustrated with theory, and its effectiveness is demonstrated by simulation experiments of the spherical cap and the HeLa cell, respectively.

Different hydraulic responses to the 2008 Wenchuan and 2011 Tohoku earthquakes in two adjacent far-field wells: the effect of shales on aquifer lithology

NASA Astrophysics Data System (ADS)

Zhang, Yan; Fu, Li-Yun; Ma, Yuchuan; Hu, Junhua

2016-11-01

Zuojiazhuang and Baodi are two adjacent wells ( 50 km apart) in northern China. The large 2008 M w 7.9 Wenchuan and 2011 M w 9.1 Tohoku earthquakes induced different co-seismic water-level responses in these far-field (>1000 km) wells. The co-seismic water-level changes in the Zuojiazhuang well exhibited large amplitudes ( 2 m), whereas those in the Baodi well were small and unclear ( 0.05 m). The mechanism of the different co-seismic hydraulic responses in the two wells needs to be revealed. In this study, we used the barometric responses in different frequency domains and the phase shifts and amplitude ratios of the tidal responses (M2 wave), together with the well logs, to explain this inconformity. Our calculations show that the co-seismic phase shifts of the M2 wave decreased or remained unchanged in the Baodi well, which was quite different from the Zuojiazhuang well and from the commonly accepted phenomena. According to the well logs, the lithology of the Baodi well is characterized by the presence of a significant amount of shale. The low porosity/permeability of shale in the Baodi well could be the cause for the unchanged and decreased phase shifts and tiny co-seismic water-level responses. In addition, shale is one of the causes of positive phase shifts and indicates a vertical water-level flow, which may be due to a semi-confined aquifer or the complex and anisotropic fracturing of shale.

High-speed measurement of an air transect's temperature shift heated by laser beam

NASA Astrophysics Data System (ADS)

Li, WenYu; Jiang, ZongFu; Xi, Fengjie; Li, Qiang; Xie, Wenke

2005-02-01

Laser beam heat the air on the optic path, Beam-deflection optical tomography is a non-intrusive method to measure the 2-dimension temperature distribution in the transect. By means of linear Hartmann Sensor at the rate of 27kHz, the optic path was heated by a 2.7μm HF laser, continuous and high time resolution gradients of optic phase were obtained. the result of analysing and calculation showed the temperament shift in the heated beam path was not higher than 50K when the HF laser power was 9W. The experiment showed that it is a practical non-intrusive temperature shift measurement method for a small area aero-optical medium.

Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach

NASA Astrophysics Data System (ADS)

Lyutorovich, N.; Tselyaev, V.; Speth, J.; Krewald, S.; Grümmer, F.; Reinhard, P.-G.

2015-10-01

We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree-Fock ground state and the excitation spectra within random-phase approximation (RPA) and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA). All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.

High-speed optical phase-shifting apparatus

DOEpatents

Zortman, William A.

2016-11-08

An optical phase shifter includes an optical waveguide, a plurality of partial phase shifting elements arranged sequentially, and control circuitry electrically coupled to the partial phase shifting elements. The control circuitry is adapted to provide an activating signal to each of the N partial phase shifting elements such that the signal is delayed by a clock cycle between adjacent partial phase shifting elements in the sequence. The transit time for a guided optical pulse train between the input edges of consecutive partial phase shifting elements in the sequence is arranged to be equal to a clock cycle, thereby enabling pipelined processing of the optical pulses.

Measurement of grain wall contact forces in a granular bed using frequency-scanning interferometry

NASA Astrophysics Data System (ADS)

Osman, M. S.; Huntley, J. M.; Wildman, R. D.

2005-07-01

Micro-mechanical theories have recently been developed to model the propagation of force through a granular material based on single grain interactions. We describe here an experimental technique, developed to validate such theories, that is able to measure the individual contact forces between the grains and the wall of the containing vessel, thereby avoiding the spatial averaging effect of conventional pressure transducers. The method involves measuring interferometrically the deflection of an interface within a triple-layer elastic substrate consisting of epoxy, silicone rubber, and glass. A thin coating of gold between the epoxy and rubber acts as a reflective film, with the reference wave provided by the glass/air interface. Phase shifting is carried out by means of a tunable laser. Phase difference maps are calculated using a 15-frame phase-shifting formula based on a Hanning window. The resulting displacement resolution of order 1 nm allows the wall stiffness to be increased by some two orders of magnitude compared to previously described methods in the literature.

Beam shuttering interferometer and method

DOEpatents

Deason, V.A.; Lassahn, G.D.

1993-07-27

A method and apparatus resulting in the simplification of phase shifting interferometry by eliminating the requirement to know the phase shift between interferograms or to keep the phase shift between interferograms constant. The present invention provides a simple, inexpensive means to shutter each independent beam of the interferometer in order to facilitate the data acquisition requirements for optical interferometry and phase shifting interferometry. By eliminating the requirement to know the phase shift between interferograms or to keep the phase shift constant, a simple, economical means and apparatus for performing the technique of phase shifting interferometry is provide which, by thermally expanding a fiber optical cable changes the optical path distance of one incident beam relative to another.

Beam shuttering interferometer and method

DOEpatents

Deason, Vance A.; Lassahn, Gordon D.

1993-01-01

A method and apparatus resulting in the simplification of phase shifting interferometry by eliminating the requirement to know the phase shift between interferograms or to keep the phase shift between interferograms constant. The present invention provides a simple, inexpensive means to shutter each independent beam of the interferometer in order to facilitate the data acquisition requirements for optical interferometry and phase shifting interferometry. By eliminating the requirement to know the phase shift between interferograms or to keep the phase shift constant, a simple, economical means and apparatus for performing the technique of phase shifting interferometry is provide which, by thermally expanding a fiber optical cable changes the optical path distance of one incident beam relative to another.

Source phase shift - A new phenomenon in wave propagation due to anelasticity. [in free oscillations of earth model

NASA Technical Reports Server (NTRS)

Buland, R.; Yuen, D. A.; Konstanty, K.; Widmer, R.

1985-01-01

The free oscillations of an anelastic earth model due to earthquakes were calculated directly by means of the correspondence principle from wave propagation theory. The formulation made it possible to find the source phase which is not predictable using first order perturbation theory. The predicted source phase was largest for toroidal modes with source components proportional to the radial strain scalar instead of the radial displacement scalar. The source phase increased in relation to the overtone number. In addition, large relative differences were found in the excitation modulus and the phase when the elastic excitation was small. The effect was sufficient to bias estimates of source properties and elastic structure.

Berry phase in Heisenberg representation

NASA Technical Reports Server (NTRS)

Andreev, V. A.; Klimov, Andrei B.; Lerner, Peter B.

1994-01-01

We define the Berry phase for the Heisenberg operators. This definition is motivated by the calculation of the phase shifts by different techniques. These techniques are: the solution of the Heisenberg equations of motion, the solution of the Schrodinger equation in coherent-state representation, and the direct computation of the evolution operator. Our definition of the Berry phase in the Heisenberg representation is consistent with the underlying supersymmetry of the model in the following sense. The structural blocks of the Hamiltonians of supersymmetrical quantum mechanics ('superpairs') are connected by transformations which conserve the similarity in structure of the energy levels of superpairs. These transformations include transformation of phase of the creation-annihilation operators, which are generated by adiabatic cyclic evolution of the parameters of the system.

Isoscalar ππ Scattering and the σ Meson Resonance from QCD.

PubMed

Briceño, Raul A; Dudek, Jozef J; Edwards, Robert G; Wilson, David J

2017-01-13

We present for the first time a determination of the energy dependence of the isoscalar ππ elastic scattering phase shift within a first-principles numerical lattice approach to QCD. Hadronic correlation functions are computed including all required quark propagation diagrams, and from these the discrete spectrum of states in the finite volume defined by the lattice boundary is extracted. From the volume dependence of the spectrum, we obtain the S-wave phase shift up to the KK[over ¯] threshold. Calculations are performed at two values of the u, d quark mass corresponding to m_{π}=236,391  MeV, and the resulting amplitudes are described in terms of a σ meson which evolves from a bound state below the ππ threshold at the heavier quark mass to a broad resonance at the lighter quark mass.

Reflection-refraction of attenuated waves at the interface between a thermo-poroelastic medium and a thermoelastic medium

NASA Astrophysics Data System (ADS)

Sharma, M. D.

2018-07-01

Phenomenon of reflection and refraction is considered at the plane interface between a thermoelastic medium and thermo-poroelastic medium. Both the media are isotropic and behave dissipative to wave propagation. Incident wave in thermo-poroelastic medium is considered inhomogeneous with deviation allowed between the directions of propagation and maximum attenuation. For this incidence, four attenuated waves reflect back in thermo-poroelastic medium and three waves refract to the continuing thermoelastic medium. Each of these reflected/refracted waves is inhomogeneous and propagates with a phase shift. The propagation characteristics (velocity, attenuation, inhomogeneity, phase shift, amplitude, energy) of reflected and refracted waves are calculated as functions of propagation direction and inhomogeneity of the incident wave. Variations in these propagation characteristics with the incident direction are illustrated through a numerical example.

Differential phase-shift keying and channel equalization in free space optical communication system

NASA Astrophysics Data System (ADS)

Zhang, Dai; Hao, Shiqi; Zhao, Qingsong; Wan, Xiongfeng; Xu, Chenlu

2018-01-01

We present the performance benefits of differential phase-shift keying (DPSK) modulation in eliminating influence from atmospheric turbulence, especially for coherent free space optical (FSO) communication with a high communication rate. Analytic expression of detected signal is derived, based on which, homodyne detection efficiency is calculated to indicate the performance of wavefront compensation. Considered laser pulses always suffer from atmospheric scattering effect by clouds, intersymbol interference (ISI) in high-speed FSO communication link is analyzed. Correspondingly, the channel equalization method of a binormalized modified constant modulus algorithm based on set-membership filtering (SM-BNMCMA) is proposed to solve the ISI problem. Finally, through the comparison with existing channel equalization methods, its performance benefits of both ISI elimination and convergence speed are verified. The research findings have theoretical significance in a high-speed FSO communication system.

Evaluation of Two Computational Techniques of Calculating Multipath Using Global Positioning System Carrier Phase Measurements

NASA Technical Reports Server (NTRS)

Gomez, Susan F.; Hood, Laura; Panneton, Robert J.; Saunders, Penny E.; Adkins, Antha; Hwu, Shian U.; Lu, Ba P.

1996-01-01

Two computational techniques are used to calculate differential phase errors on Global Positioning System (GPS) carrier war phase measurements due to certain multipath-producing objects. The two computational techniques are a rigorous computati electromagnetics technique called Geometric Theory of Diffraction (GTD) and the other is a simple ray tracing method. The GTD technique has been used successfully to predict microwave propagation characteristics by taking into account the dominant multipath components due to reflections and diffractions from scattering structures. The ray tracing technique only solves for reflected signals. The results from the two techniques are compared to GPS differential carrier phase ns taken on the ground using a GPS receiver in the presence of typical International Space Station (ISS) interference structures. The calculations produced using the GTD code compared to the measured results better than the ray tracing technique. The agreement was good, demonstrating that the phase errors due to multipath can be modeled and characterized using the GTD technique and characterized to a lesser fidelity using the DECAT technique. However, some discrepancies were observed. Most of the discrepancies occurred at lower devations and were either due to phase center deviations of the antenna, the background multipath environment, or the receiver itself. Selected measured and predicted differential carrier phase error results are presented and compared. Results indicate that reflections and diffractions caused by the multipath producers, located near the GPS antennas, can produce phase shifts of greater than 10 mm, and as high as 95 mm. It should be noted tl the field test configuration was meant to simulate typical ISS structures, but the two environments are not identical. The GZ and DECAT techniques have been used to calculate phase errors due to multipath o the ISS configuration to quantify the expected attitude determination errors.

Study of nanometer-level precise phase-shift system used in electronic speckle shearography and phase-shift pattern interferometry

NASA Astrophysics Data System (ADS)

Jing, Chao; Liu, Zhongling; Zhou, Ge; Zhang, Yimo

2011-11-01

The nanometer-level precise phase-shift system is designed to realize the phase-shift interferometry in electronic speckle shearography pattern interferometry. The PZT is used as driving component of phase-shift system and translation component of flexure hinge is developed to realize micro displacement of non-friction and non-clearance. Closed-loop control system is designed for high-precision micro displacement, in which embedded digital control system is developed for completing control algorithm and capacitive sensor is used as feedback part for measuring micro displacement in real time. Dynamic model and control model of the nanometer-level precise phase-shift system is analyzed, and high-precision micro displacement is realized with digital PID control algorithm on this basis. It is proved with experiments that the location precision of the precise phase-shift system to step signal of displacement is less than 2nm and the location precision to continuous signal of displacement is less than 5nm, which is satisfied with the request of the electronic speckle shearography and phase-shift pattern interferometry. The stripe images of four-step phase-shift interferometry and the final phase distributed image correlated with distortion of objects are listed in this paper to prove the validity of nanometer-level precise phase-shift system.

Temporal dynamics of circadian phase shifting response to consecutive night shifts in healthcare workers: role of light-dark exposure.

PubMed

Stone, Julia E; Sletten, Tracey L; Magee, Michelle; Ganesan, Saranea; Mulhall, Megan D; Collins, Allison; Howard, Mark; Lockley, Steven W; Rajaratnam, Shantha M W

2018-06-01

Shift work is highly prevalent and is associated with significant adverse health impacts. There is substantial inter-individual variability in the way the circadian clock responds to changing shift cycles. The mechanisms underlying this variability are not well understood. We tested the hypothesis that light-dark exposure is a significant contributor to this variability; when combined with diurnal preference, the relative timing of light exposure accounted for 71% of individual variability in circadian phase response to night shift work. These results will drive development of personalised approaches to manage circadian disruption among shift workers and other vulnerable populations to potentially reduce the increased risk of disease in these populations. Night shift workers show highly variable rates of circadian adaptation. This study examined the relationship between light exposure patterns and the magnitude of circadian phase resetting in response to night shift work. In 21 participants (nursing and medical staff in an intensive care unit) circadian phase was measured using 6-sulphatoxymelatonin at baseline (day/evening shifts or days off) and after 3-4 consecutive night shifts. Daily light exposure was examined relative to individual circadian phase to quantify light intensity in the phase delay and phase advance portions of the light phase response curve (PRC). There was substantial inter-individual variability in the direction and magnitude of phase shift after three or four consecutive night shifts (mean phase delay -1:08 ± 1:31 h; range -3:43 h delay to +3:07 h phase advance). The relative difference in the distribution of light relative to the PRC combined with diurnal preference accounted for 71% of the variability in phase shift. Regression analysis incorporating these factors estimated phase shift to within ±60 min in 85% of participants. No participants met criteria for partial adaptation to night work after three or four consecutive night shifts. Our findings provide evidence that the phase resetting that does occur is based on individual light exposure patterns relative to an individual's baseline circadian phase. Thus, a 'one size fits all' approach to promoting adaptation to shift work using light therapy, implemented without knowledge of circadian phase, may not be efficacious for all individuals. © 2018 Monash University. The Journal of Physiology © 2018 The Physiological Society.

In-line phase shift tomosynthesis

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

Hammonds, Jeffrey C.; Price, Ronald R.; Pickens, David R.

2013-08-15

Purpose: The purpose of this work is to (1) demonstrate laboratory measurements of phase shift images derived from in-line phase-contrast radiographs using the attenuation-partition based algorithm (APBA) of Yan et al.[Opt. Express 18(15), 16074–16089 (2010)], (2) verify that the APBA reconstructed images obey the linearity principle, and (3) reconstruct tomosynthesis phase shift images from a collection of angularly sampled planar phase shift images.Methods: An unmodified, commercially available cabinet x-ray system (Faxitron LX-60) was used in this experiment. This system contains a tungsten anode x-ray tube with a nominal focal spot size of 10 μm. The digital detector uses CsI/CMOS withmore » a pixel size of 50 × 50 μm. The phantoms used consisted of one acrylic plate, two polystyrene plates, and a habanero pepper. Tomosynthesis images were reconstructed from 51 images acquired over a ±25° arc. All phase shift images were reconstructed using the APBA.Results: Image contrast derived from the planar phase shift image of an acrylic plate of uniform thickness exceeded the contrast of the traditional attenuation image by an approximate factor of two. Comparison of the planar phase shift images from a single, uniform thickness polystyrene plate with two polystyrene plates demonstrated an approximate linearity of the estimated phase shift with plate thickness (−1600 rad vs −2970 rad). Tomographic phase shift images of the habanero pepper exhibited acceptable spatial resolution and contrast comparable to the corresponding attenuation image.Conclusions: This work demonstrated the feasibility of laboratory-based phase shift tomosynthesis and suggests that phase shift imaging could potentially provide a new imaging biomarker. Further investigation will be needed to determine if phase shift contrast will be able to provide new tissue contrast information or improved clinical performance.« less

Effects of Nonhydrostatic Stress on Structural and Optoelectronic Properties of Methylammonium Lead Bromide Perovskite

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

Zhang, Rong; Cai, Weizhao; Bi, Tiange

We report synchrotron X-ray diffraction, photoconductivity, and photoluminescence investigations of methylammonium-lead-bromide (MAPbBr3) under various stress conditions, supported by density-functional-theory (DFT) calculations. The properties of MAPbBr3 show substantial dependence on the hydrostatic conditions. While nonhydrostatic compression of MAPbBr3 leads to amorphization above 2.4 GPa, under quasi-hydrostatic (Ar) and hydrostatic (He) pressure, the sample remains in crystalline phases. A sequence of phase transitions between two cubic phases and orthorhombic Pnma phase is observed when using Ar, or no pressure-transmitting-medium (PTM). In helium-PTM only transitions between the two cubic structures and a new isostructural phase transition with a large volume collapse to amore » third cubic-phase at 2.7 GPa was observed. The photoluminescence measurements indicate a pressure-induced band gap-narrowing in the cubic phase I, and a blue-shift in the orthorhombic structure. DFT calculations illustrate that the dynamics of the organic molecules and the inorganic lattice, coupled via the N–H···Br hydrogen-bonding interactions, affect the Pb–Br distance and the bandgap evolution under pressure.« less

Imaging the Gouy phase shift in photonic jets with a wavefront sensor.

PubMed

Bon, Pierre; Rolly, Brice; Bonod, Nicolas; Wenger, Jérôme; Stout, Brian; Monneret, Serge; Rigneault, Hervé

2012-09-01

A wavefront sensor is used as a direct observation tool to image the Gouy phase shift in photonic nanojets created by micrometer-sized dielectric spheres. The amplitude and phase distributions of light are found in good agreement with a rigorous electromagnetic computation. Interestingly the observed phase shift when travelling through the photonic jet is a combination of the awaited π Gouy shift and a phase shift induced by the bead refraction. Such direct spatial phase shift observation using wavefront sensors would find applications in microscopy, diffractive optics, optical trapping, and point spread function engineering.

Investigation of direct integrated optics modulators. [applicable to data preprocessors

NASA Technical Reports Server (NTRS)

Batchman, T. E.

1980-01-01

Direct modulation techniques applicable to integrated optics data preprocessors were investigated. Several methods of modulating a coherent optical beam by interaction with an incoherent beam were studied. It was decided to investigate photon induced conductivity changes in thin semiconductor cladding layers on optical waveguides. Preliminary calculations indicate significant changes can be produced in the phase shift in a propagating wave when the conductivity is changed by ten percent or more. Experimental devices to verify these predicted phase changes and experiments designed to prove the concept are described.

Anaylyzing powers for the reaction π-p-->-->π0n at T-π=161 MeV

NASA Astrophysics Data System (ADS)

Görgen, J. J.; Comfort, J. R.; Averett, T.; Dekorse, J.; Franklin, B.; Ritchie, B. G.; Tinsley, J.; Kyle, G.; Berman, B.; Burleson, G.; Cranston, K.; Klein, A.; Faucett, J. A.; Jarmer, J. J.; Knudson, J. N.; Penttilä, S.; Tanaka, N.; Brinkmöller, B.; Dehnhard, D.; Yen, Y. F.; Høibrråten, S.; Breuer, H.; Flanders, B. S.; Khandaker, M. A.; Naples, D. L.; Zhang, D.; Barlett, M. L.; Hoffmann, G. W.; Purcell, M.

1990-10-01

Analyzing powers for the reaction π-p-->-->π0n were measured at an incident pion energy of T-π=161 MeV with a transversely polarized proton target over the angular range of about 20°-60°. The results are well described by calculations based on current sets of πN phase shifts.

FAST TRACK COMMUNICATION Solving the ultradiscrete KdV equation

NASA Astrophysics Data System (ADS)

Willox, Ralph; Nakata, Yoichi; Satsuma, Junkichi; Ramani, Alfred; Grammaticos, Basile

2010-12-01

We show that a generalized cellular automaton, exhibiting solitonic interactions, can be explicitly solved by means of techniques first introduced in the context of the scattering problem for the KdV equation. We apply this method to calculate the phase-shifts caused by interactions between the solitonic and non-solitonic parts into which arbitrary initial states separate in time.

Comparison of phase unwrapping algorithms for topography reconstruction based on digital speckle pattern interferometry

NASA Astrophysics Data System (ADS)

Li, Yuanbo; Cui, Xiaoqian; Wang, Hongbei; Zhao, Mengge; Ding, Hongbin

2017-10-01

Digital speckle pattern interferometry (DSPI) can diagnose the topography evolution in real-time, continuous and non-destructive, and has been considered as a most promising technique for Plasma-Facing Components (PFCs) topography diagnostic under the complicated environment of tokamak. It is important for the study of digital speckle pattern interferometry to enhance speckle patterns and obtain the real topography of the ablated crater. In this paper, two kinds of numerical model based on flood-fill algorithm has been developed to obtain the real profile by unwrapping from the wrapped phase in speckle interference pattern, which can be calculated through four intensity images by means of 4-step phase-shifting technique. During the process of phase unwrapping by means of flood-fill algorithm, since the existence of noise pollution, and other inevitable factors will lead to poor quality of the reconstruction results, this will have an impact on the authenticity of the restored topography. The calculation of the quality parameters was introduced to obtain the quality-map from the wrapped phase map, this work presents two different methods to calculate the quality parameters. Then quality parameters are used to guide the path of flood-fill algorithm, and the pixels with good quality parameters are given priority calculation, so that the quality of speckle interference pattern reconstruction results are improved. According to the comparison between the flood-fill algorithm which is suitable for speckle pattern interferometry and the quality-guided flood-fill algorithm (with two different calculation approaches), the errors which caused by noise pollution and the discontinuous of the strips were successfully reduced.

910-m propagation of THz ps pulses through the Atmosphere.

PubMed

Kim, Gyeong-Ryul; Jeon, Tae-In; Grischkowsky, D

2017-10-16

We measured the atmospheric propagation of ps THz pulses with a 0.4-THz bandwidth through a 910-m distance; the pulse delay corresponded to 255 pulses down the pulse train of the mode-locked ring laser excitation pulses. The complexity of the atmosphere requires the use of the complete theory of Essen and Froome to compare the measured time shifts due to both the dry atmosphere and water vapor with theoretical calculations. A new procedure involving the measurement of phase in the frequency domain is introduced and achieves comparable results for the calculated time shifts, compared to the previous direct measurements of time shifts. When the THz pulses were sequentially measured for a distance of 186 and 910 m at the same weather condition, the time variation due to atmospheric turbulence between the two pulses of the 910 m measurement was up to 4 times larger than that between the two pulses of the 186 m measurement. THz long path WVD studies are necessary to evaluate proposed applications in the atmosphere, such as communications and monitoring pollutants and dangerous gases.

910-m propagation of THz ps pulses through the Atmosphere

NASA Astrophysics Data System (ADS)

Kim, Gyeong-Ryul; Jeon, Tae-In; Grischkowsky, D.

2017-10-01

We measured the atmospheric propagation of ps THz pulses with a 0.4-THz bandwidth through a 910-m distance; the pulse delay corresponded to 255 pulses down the pulse train of the mode-locked ring laser excitation pulses. The complexity of the atmosphere requires the use of the complete theory of Essen and Froome to compare the measured time shifts due to both the dry atmosphere and water vapor with theoretical calculations. A new procedure involving the measurement of phase in the frequency domain is introduced and achieves comparable results for the calculated time shifts, compared to the previous direct measurements of time shifts. When the THz pulses were sequentially measured for a distance of 186 and 910 m at the same weather condition, the time variation due to atmospheric turbulence between the two pulses of the 910 m measurement was up to 4 times larger than that between the two pulses of the 186 m measurement. THz long path WVD studies are necessary to evaluate proposed applications in the atmosphere, such as communications and monitoring pollutants and dangerous gases.

Coupled-cluster based approach for core-level states in condensed phase: Theory and application to different protonated forms of aqueous glycine

DOE PAGES

Sadybekov, Arman; Krylov, Anna I.

2017-07-07

A theoretical approach for calculating core-level states in condensed phase is presented. The approach is based on equation-of-motion coupled-cluster theory (EOMCC) and effective fragment potential (EFP) method. By introducing an approximate treatment of double excitations in the EOM-CCSD (EOM-CC with single and double substitutions) ansatz, we address poor convergence issues that are encountered for the core-level states and significantly reduce computational costs. While the approximations introduce relatively large errors in the absolute values of transition energies, the errors are systematic. Consequently, chemical shifts, changes in ionization energies relative to reference systems, are reproduced reasonably well. By using different protonation formsmore » of solvated glycine as a benchmark system, we show that our protocol is capable of reproducing the experimental chemical shifts with a quantitative accuracy. The results demonstrate that chemical shifts are very sensitive to the solvent interactions and that explicit treatment of solvent, such as EFP, is essential for achieving quantitative accuracy.« less

Coupled-cluster based approach for core-level states in condensed phase: Theory and application to different protonated forms of aqueous glycine

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

Sadybekov, Arman; Krylov, Anna I.

A theoretical approach for calculating core-level states in condensed phase is presented. The approach is based on equation-of-motion coupled-cluster theory (EOMCC) and effective fragment potential (EFP) method. By introducing an approximate treatment of double excitations in the EOM-CCSD (EOM-CC with single and double substitutions) ansatz, we address poor convergence issues that are encountered for the core-level states and significantly reduce computational costs. While the approximations introduce relatively large errors in the absolute values of transition energies, the errors are systematic. Consequently, chemical shifts, changes in ionization energies relative to reference systems, are reproduced reasonably well. By using different protonation formsmore » of solvated glycine as a benchmark system, we show that our protocol is capable of reproducing the experimental chemical shifts with a quantitative accuracy. The results demonstrate that chemical shifts are very sensitive to the solvent interactions and that explicit treatment of solvent, such as EFP, is essential for achieving quantitative accuracy.« less

Magnetic susceptibility as a direct measure of oxidation state in LiFePO4 batteries and cyclic water gas shift reactors.

PubMed

Kadyk, Thomas; Eikerling, Michael

2015-08-14

The possibility of correlating the magnetic susceptibility to the oxidation state of the porous active mass in a chemical or electrochemical reactor was analyzed. The magnetic permeability was calculated using a hierarchical model of the reactor. This model was applied to two practical examples: LiFePO4 batteries, in which the oxidation state corresponds with the state-of-charge, and cyclic water gas shift reactors, in which the oxidation state corresponds to the depletion of the catalyst. In LiFePO4 batteries phase separation of the lithiated and delithiated phases in the LiFePO4 particles in the positive electrode gives rise to a hysteresis effect, i.e. the magnetic permeability depends on the history of the electrode. During fast charge or discharge, non-uniform lithium distributionin the electrode decreases the hysteresis effect. However, the overall sensitivity of the magnetic response to the state-of-charge lies in the range of 0.03%, which makes practical measurement challenging. In cyclic water gas shift reactors, the sensitivity is 4 orders of magnitude higher and without phase separation, no hysteresis occurs. This shows that the method is suitable for such reactors, in which large changes of the magnetic permeability of the active material occurs.

PSK Shift Timing Information Detection Using Image Processing and a Matched Filter

DTIC Science & Technology

2009-09-01

phase shifts are enhanced.  Develop, design, and test the resulting phase shift identification scheme. xx  Develop, design, and test an optional...and the resulting phase shift identification algorithm is investigated for SNR levels in the range -2dB to 12 dB. Detection performances are derived...test the resulting phase shift identification scheme.  Develop, design, and test an optional analysis window overlapping technique to improve phase

Adducts of nitrogenous ligands with rhodium(II) tetracarboxylates and tetraformamidinate: NMR spectroscopy and density functional theory calculations.

PubMed

Cmoch, Piotr; Głaszczka, Rafał; Jaźwiński, Jarosław; Kamieński, Bohdan; Senkara, Elżbieta

2014-03-01

Complexation of tetrakis(μ2-N,N'-diphenylformamidinato-N,N')-di-rhodium(II) with ligands containing nitrile, isonitrile, amine, hydroxyl, sulfhydryl, isocyanate, and isothiocyanate functional groups has been studied in liquid and solid phases using (1)H, (13)C and (15)N NMR, (13)C and (15)N cross polarisation-magic angle spinning NMR, and absorption spectroscopy in the visible range. The complexation was monitored using various NMR physicochemical parameters, such as chemical shifts, longitudinal relaxation times T1 , and NOE enhancements. Rhodium(II) tetraformamidinate selectively bonded only unbranched amine (propan-1-amine), pentanenitrile, and (1-isocyanoethyl)benzene. No complexation occurred in the case of ligands having hydroxyl, sulfhydryl, isocyanate, and isothiocyanate functional groups, and more expanded amine molecules such as butan-2-amine and 1-azabicyclo[2.2.2]octane. Such features were opposite to those observed in rhodium(II) tetracarboxylates, forming adducts with all kind of ligands. Special attention was focused on the analysis of Δδ parameters, defined as a chemical shift difference between signal in adduct and corresponding signal in free ligand. In the case of (1)H NMR, Δδ values were either negative in adducts of rhodium(II) tetraformamidinate or positive in adducts of rhodium(II) tetracarboxylates. Experimental findings were supported by density functional theory molecular modelling and gauge independent atomic orbitals chemical shift calculations. The calculation of chemical shifts combined with scaling procedure allowed to reproduce qualitatively Δδ parameters. Copyright © 2013 John Wiley & Sons, Ltd.

Alternating phase-shifted mask for logic gate levels, design, and mask manufacturing

NASA Astrophysics Data System (ADS)

Liebmann, Lars W.; Graur, Ioana C.; Leipold, William C.; Oberschmidt, James M.; O'Grady, David S.; Regaill, Denis

1999-07-01

While the benefits of alternating phase shifted masks in improving lithographic process windows at increased resolution are well known throughout the lithography community, broad implementation of this potentially powerful technique has been slow due to the inherent complexity of the layout design and mask manufacturing process. This paper will review a project undertaken at IBM's Semiconductor Research and Development Center and Mask Manufacturing and Development facility to understand the technical and logistical issues associated with the application of alternating phase shifted mask technology to the gate level of a full microprocessor chip. The work presented here depicts an important milestone toward integration of alternating phase shifted masks into the manufacturing process by demonstrating an automated design solution and yielding a functional alternating phase shifted mask. The design conversion of the microprocessor gate level to a conjugate twin shifter alternating phase shift layout was accomplished with IBM's internal design system that automatically scaled the design, added required phase regions, and resolved phase conflicts. The subsequent fabrication of a nearly defect free phase shifted mask, as verified by SEM based die to die inspection, highlights the maturity of the alternating phase shifted mask manufacturing process in IBM's internal mask facility. Well defined and recognized challenges in mask inspection and repair remain and the layout of alternating phase shifted masks present a design and data preparation overhead, but the data presented here demonstrate the feasibility of designing and building manufacturing quality alternating phase shifted masks for the gate level of a microprocessor.

Effect of Phase Shift from Corals to Zoantharia on Reef Fish Assemblages

PubMed Central

Cruz, Igor C. S.; Loiola, Miguel; Albuquerque, Tiago; Reis, Rodrigo; de Anchieta C. C. Nunes, José; Reimer, James D.; Mizuyama, Masaru; Kikuchi, Ruy K. P.; Creed, Joel C.

2015-01-01

Consequences of reef phase shifts on fish communities remain poorly understood. Studies on the causes, effects and consequences of phase shifts on reef fish communities have only been considered for coral-to-macroalgae shifts. Therefore, there is a large information gap regarding the consequences of novel phase shifts and how these kinds of phase shifts impact on fish assemblages. This study aimed to compare the fish assemblages on reefs under normal conditions (relatively high cover of corals) to those which have shifted to a dominance of the zoantharian Palythoa cf. variabilis on coral reefs in Todos os Santos Bay (TSB), Brazilian eastern coast. We examined eight reefs, where we estimated cover of corals and P. cf. variabilis and coral reef fish richness, abundance and body size. Fish richness differed significantly between normal reefs (48 species) and phase-shift reefs (38 species), a 20% reduction in species. However there was no difference in fish abundance between normal and phase shift reefs. One fish species, Chaetodon striatus, was significantly less abundant on normal reefs. The differences in fish assemblages between different reef phases was due to differences in trophic groups of fish; on normal reefs carnivorous fishes were more abundant, while on phase shift reefs mobile invertivores dominated. PMID:25629532

Absolute calibration of optical flats

DOEpatents

Sommargren, Gary E.

2005-04-05

The invention uses the phase shifting diffraction interferometer (PSDI) to provide a true point-by-point measurement of absolute flatness over the surface of optical flats. Beams exiting the fiber optics in a PSDI have perfect spherical wavefronts. The measurement beam is reflected from the optical flat and passed through an auxiliary optic to then be combined with the reference beam on a CCD. The combined beams include phase errors due to both the optic under test and the auxiliary optic. Standard phase extraction algorithms are used to calculate this combined phase error. The optical flat is then removed from the system and the measurement fiber is moved to recombine the two beams. The newly combined beams include only the phase errors due to the auxiliary optic. When the second phase measurement is subtracted from the first phase measurement, the absolute phase error of the optical flat is obtained.

Investigating tunneling process of atom exposed in circularly polarized strong-laser field

NASA Astrophysics Data System (ADS)

Yuan, MingHu; Xin, PeiPei; Chu, TianShu; Liu, HongPing

2017-03-01

We propose a method for studying the tunneling process by analyzing the instantaneous ionization rate of a circularly polarized laser. A numerical calculation shows that, for an atom exposed to a long laser pulse, if its initial electronic state wave function is non-spherical symmetric, the delayed phase shift of the ionization rate vs the laser cycle period in real time in the region close to the peak intensity of the laser pulse can be used to probe the tunneling time. In this region, an obvious time delay phase shift of more than 190 attoseconds is observed. Further study shows that the atom has a longer tunneling time in the ionization under a shorter wavelength laser pulse. In our method, a Wigner rotation technique is employed to numerically solve the time-dependent Schrödinger equation of a single-active electron in a three-dimensional spherical coordinate system.

Density and spin modes in imbalanced normal Fermi gases from collisionless to hydrodynamic regime

NASA Astrophysics Data System (ADS)

Narushima, Masato; Watabe, Shohei; Nikuni, Tetsuro

2018-03-01

We study the mass- and population-imbalance effect on density (in-phase) and spin (out-of-phase) collective modes in a two-component normal Fermi gas. By calculating the eigenmodes of the linearized Boltzmann equation as well as the density/spin dynamic structure factor, we show that mass- and population-imbalance effects offer a variety of collective mode crossover behaviors from collisionless to hydrodynamic regimes. The mass-imbalance effect shifts the crossover regime to the higher-temperature, and a significant peak of the spin dynamic structure factor emerges only in the collisionless regime. This is in contrast to the case of mass- and population-balanced normal Fermi gases, where the spin dynamic response is always absent. Although the population-imbalance effect does not shift the crossover regime, the spin dynamic structure factor survives both in the collisionless and hydrodynamic regimes.

Red shifts of the Eg(1) Raman mode of nanocrystalline TiO2:Er monoliths grown by sol-gel process

NASA Astrophysics Data System (ADS)

Palomino-Merino, R.; Trejo-Garcia, P.; Portillo-Moreno, O.; Jiménez-Sandoval, S.; Tomás, S. A.; Zelaya-Angel, O.; Lozada-Morales, R.; Castaño, V. M.

2015-08-01

Nanocrystalline monoliths of Er doped TiO2 were prepared by the sol-gel technique, by controlling the Er-doping levels into the TiO2 precursor solution. As-prepared and annealed in air samples showed the anatase TiO2 phase. The average diameter of the nanoparticles ranged from 19 to 2.6 nm as the nominal concentration of Er varies from 0% to 7%, as revealed by EDS analysis in an electron microscope. Photo Acoustic Spectroscopy (PAS) allowed calculate the forbidden band gap, evidencing an absorption edge at around 300 nm, attributed to TiO2 and evidence of electronic transitions or Er3+. The Raman spectra, corresponding to the anatase phase, show the main phonon mode Eg(1) band position at 144 cm-1 with a red shift for the annealing samples.

Tidal Amplitude Delta Factors and Phase Shifts for an Oceanic Earth

NASA Astrophysics Data System (ADS)

Spiridonov, E. A.

2017-12-01

M.S. Molodenskiy's problem, which describes the state of an elastic self-gravitating compressible sphere, is generalized to the case of a biaxial hydrostatically equilibrium rotating elliptical inelastic shell. The system of sixth-order equations is supplemented with corrections due to the relative and Coriolis accelerations. The ordinary and load Love numbers of degree 2 are calculated with allowance for their latitude dependence and dissipation for different models of the Earth's structure (the AK135, IASP91, and PREM models). The problem is solved by Love's method. The theoretical amplitude delta factors and phase shifts of second-order tidal waves for an oceanic Earth are compared with their most recent empirical counterparts obtained by the GGP network superconducting gravimeters. In particular, it is shown that a good matching (up to the fourth decimal place) of the theoretical and observed amplitude factors of semidiurnal tides does not require the application of the nonhydrostatic theory.

Scattering Properties of Ground-State 23Na Vapor Using Generalized Scattering Theory

NASA Astrophysics Data System (ADS)

Al-Harazneh, A. A.; Sandouqa, A. S.; Joudeh, B. R.; Ghassib, H. B.

2018-04-01

The scattering properties of ground-state 23Na vapor are investigated within the framework of the Galitskii-Migdal-Feynman formalism. Viewed as a generalized scattering theory, this formalism is used to calculate the medium phase shifts. The scattering properties of the system—the total, viscosity, spin-exchange, and average cross sections—are then computed using these phase shifts according to standard recipes. The total cross section is found to exhibit the Ramsauer-Townsend effect as well as resonance peaks. These peaks are caused by the large difference between the potentials for electronic spin-singlet and spin-triplet states. They represent quasi-bound states in the system. The results obtained for the complex spin-exchange cross sections are particularly highlighted because of their importance in the spectroscopy of the Na2 dimer. So are the results for the scattering lengths pertaining to both singlet and triplet states. Wherever possible, comparison is made with other published results.

Multisite occupation of divalent dopants in barium and strontium titanates

NASA Astrophysics Data System (ADS)

Zulueta, Yohandys A.; Nguyen, Minh Tho

2018-10-01

Based on recent experimental and theoretical proofs of calcium multisite occupation in barium titanate, we investigated a mixed incorporation mechanism for divalent dopants in barium and strontium titanates (BaTiO3 and SrTiO3). Our present theoretical results demonstrated the multisite occupation of divalent dopants in both perovskite structures. We determined the dependences of the solution, binding energies, and final solution energies with respect to the ionic radii of the dopants. Calculated results obtained based on classical simulations showed that the divalent dopants can occupy both A- and Ti- cation sites in ATiO3 perovskite structures. Such a multisite occupation has direct implications for other experimental findings regarding BaTiO3, such as non-stabilization of the tetragonal phase, shifts in the Curie temperature, intensification of the diffuse phase transition, and shifts in the absorption of ultraviolet light to the visible range in photocatalytic applications related to solar cells for producing energy.

Isoscalar π π Scattering and the σ Meson Resonance from QCD

DOE PAGES

Briceño, Raul A.; Dudek, Jozef J.; Edwards, Robert G.; ...

2017-01-09

Here, we present for the first time a determination of the energy dependence of the isoscalar ππ elastic scattering phase-shift within a first-principles numerical lattice approach to QCD. We also compute the hadronic correlation functions including all required quark propagation diagrams. From these the discrete spectrum of states in the finite volume defined by the lattice boundary is extracted. From the volume dependence of the spectrum we obtain the S-wave phase-shift up to the Kmore » $$\\bar{K}$$ threshold. Calculations are performed at two values of the u, d quark mass corresponding to m π = 236, 391 MeV and the resulting amplitudes are described in terms of a σ meson which evolves from a bound-state below ππ threshold at the heavier quark mass, to a broad resonance at the lighter quark mass.« less

Chemical shift magnetic resonance imaging is helpful in detecting hepatic steatosis but not fibrosis in patients with nonalcoholic fatty liver disease (NAFLD).

PubMed

Kalra, Naveen; Duseja, Ajay; Das, Ashim; Dhiman, Radha Krishan; Virmani, Vivek; Chawla, Yogesh; Singh, Paramjee; Khandelwal, Niranjan

2009-01-01

Imaging modalities have a role in the diagnosis of patients with nonalcoholic fatty liver disease. Aim of the present study was to evaluate the role of chemical shift magnetic resonance imaging in assessing hepatic steatosis and fibrosis in patients with nonalcoholic fatty liver disease. Chemical shift magnetic resonance imaging was done in 10 biopsy proven patients (7 females, mean age 41 +/- 9.2 years) with nonalcoholic fatty liver disease. Objective measurements of signal intensity (SI) were done and a ratio was calculated (SI out-of- phase liver/ SI out-of- phase kidney)/ (SI in- phase liver/ SI in-phase kidney). A lower ratio indicated a higher signal drop and hence higher fat content. The ratio was correlated with hepatic steatosis on histology (< 33% and > 33%). Patients were classified as having histological NASH or no NASH and MRI was assessed in diagnosing hepatic fibrosis as seen on liver histology. Six patients had > 33% hepatic steatosis on histology. Five patients (50%) had evidence of histological NASH. MRI was not helpful in differentiating patients with and without histological NASH. One patient amongst NASH patients did not have fibrosis, one had stage 1, 2 had stage 2 and one had stage 4 fibrosis. SI ratio ranged between 0.35-0.69 in 6 patients with steatosis > 33% and was in the range of 0.69-1.20 in four patients with steatosis < 33% on histology. Fibrotic changes seen in 4 patients on biopsy were not detected on MRI. Chemical shift MRI provides objective data on fat infiltration in patients with NAFLD without giving information about hepatic fibrosis.

FPGA-based real-time phase measuring profilometry algorithm design and implementation

NASA Astrophysics Data System (ADS)

Zhan, Guomin; Tang, Hongwei; Zhong, Kai; Li, Zhongwei; Shi, Yusheng

2016-11-01

Phase measuring profilometry (PMP) has been widely used in many fields, like Computer Aided Verification (CAV), Flexible Manufacturing System (FMS) et al. High frame-rate (HFR) real-time vision-based feedback control will be a common demands in near future. However, the instruction time delay in the computer caused by numerous repetitive operations greatly limit the efficiency of data processing. FPGA has the advantages of pipeline architecture and parallel execution, and it fit for handling PMP algorithm. In this paper, we design a fully pipelined hardware architecture for PMP. The functions of hardware architecture includes rectification, phase calculation, phase shifting, and stereo matching. The experiment verified the performance of this method, and the factors that may influence the computation accuracy was analyzed.

Interpreting lateral dynamic weight shifts using a simple inverted pendulum model.

PubMed

Kennedy, Michael W; Bretl, Timothy; Schmiedeler, James P

2014-01-01

Seventy-five young, healthy adults completed a lateral weight-shifting activity in which each shifted his/her center of pressure (CoP) to visually displayed target locations with the aid of visual CoP feedback. Each subject's CoP data were modeled using a single-link inverted pendulum system with a spring-damper at the joint. This extends the simple inverted pendulum model of static balance in the sagittal plane to lateral weight-shifting balance. The model controlled pendulum angle using PD control and a ramp setpoint trajectory, and weight-shifting was characterized by both shift speed and a non-minimum phase (NMP) behavior metric. This NMP behavior metric examines the force magnitude at shift initiation and provides weight-shifting balance performance information that parallels the examination of peak ground reaction forces in gait analysis. Control parameters were optimized on a subject-by-subject basis to match balance metrics for modeled results to metric values calculated from experimental data. Overall, the model matches experimental data well (average percent error of 0.35% for shifting speed and 0.05% for NMP behavior). These results suggest that the single-link inverted pendulum model can be used effectively to capture lateral weight-shifting balance, as it has been shown to model static balance. Copyright © 2014 Elsevier B.V. All rights reserved.

Investigating the Lewis acidity of aluminium fluoride surfaces

NASA Astrophysics Data System (ADS)

Bailey, C. L.; Mukhopadhyay, S.; Wander, A.; Harrison, N. M.

2008-03-01

The current study employs state of the art hybrid-exchange density functional theory (DFT) to investigate the Lewis acidic sites on the β-AlF3 (100) surface. It is shown that the strong Lewis base, NH3, binds to the surface with a binding energy of up to 1.9 eV. This demonstrates that the material is strongly Lewis acidic. We also consider the binding of the weak Lewis base CO to the surface. We calculate the shift in its stretch frequency compared to the gas phase molecule. Shifts are compared to experimental data and are shown to be typical of strong Lewis acidity.

Quantitative phase imaging of human red blood cells using phase-shifting white light interference microscopy with colour fringe analysis

NASA Astrophysics Data System (ADS)

Singh Mehta, Dalip; Srivastava, Vishal

2012-11-01

We report quantitative phase imaging of human red blood cells (RBCs) using phase-shifting interference microscopy. Five phase-shifted white light interferograms are recorded using colour charge coupled device camera. White light interferograms were decomposed into red, green, and blue colour components. The phase-shifted interferograms of each colour were then processed by phase-shifting analysis and phase maps for red, green, and blue colours were reconstructed. Wavelength dependent refractive index profiles of RBCs were computed from the single set of white light interferogram. The present technique has great potential for non-invasive determination of refractive index variation and morphological features of cells and tissues.

Simple and robust referencing system enables identification of dissolved-phase xenon spectral frequencies.

PubMed

Antonacci, Michael A; Zhang, Le; Burant, Alex; McCallister, Drew; Branca, Rosa T

2018-08-01

To assess the effect of macroscopic susceptibility gradients on the gas-phase referenced dissolved-phase 129 Xe (DPXe) chemical shift (CS) and to establish the robustness of a water-based referencing system for in vivo DPXe spectra. Frequency shifts induced by spatially varying magnetic susceptibility are calculated by finite-element analysis for the human head and chest. Their effect on traditional gas-phase referenced DPXe CS is then assessed theoretically and experimentally. A water-based referencing system for the DPXe resonances that uses the local water protons as reference is proposed and demonstrated in vivo in rats. Across the human brain, macroscopic susceptibility gradients can induce an apparent variation in the DPXe CS of up to 2.5 ppm. An additional frequency shift as large as 6.5 ppm can exist between DPXe and gas-phase resonances. By using nearby water protons as reference for the DPXe CS, the effect of macroscopic susceptibility gradients is eliminated and consistent CS values are obtained in vivo, regardless of shimming conditions, region of interest analyzed, animal orientation, or lung inflation. Combining in vitro and in vivo spectroscopic measurements finally enables confident assignment of some of the DPXe peaks observed in vivo. To use hyperpolarized xenon as a biological probe in tissues, the DPXe CS in specific organs/tissues must be reliably measured. When the gas-phase is used as reference, variable CS values are obtained for DPXe resonances. Reliable peak assignments in DPXe spectra can be obtained by using local water protons as reference. Magn Reson Med 80:431-441, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

Some Boussinesq Equations with Saturation

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

Christou, M. A.

2010-11-25

We investigate numerically some Boussinesq type equations with square or cubic and saturated nonlinearity. We examine the propagation, interaction and overtake interaction of soliton solutions. Moreover, we examine the effect of the saturation term on the solution and compare it with the classical case of the square or cubic nonlinearity without saturation. We calculate numerically the phase shift experienced by the solitons upon collision and conclude the impact of saturation.

New developments in electronic reference controls for frequency domain optical sensing

NASA Astrophysics Data System (ADS)

Chatni, M. R.; Li, G.; Porterfield, D. M.

2009-05-01

The reference optical path is essential for optical systems which function on the basis of light interference. In the case of frequency domain (FD) fluorescence life-time optrodes, a reference LED is used as a standard for calculating the phase angle. The reference LED is configured so that radiation travels the same length to the detector as that of the fluorescence signal being analyzed. The phase shift, which provides details of fluorescence lifetime, is measured between these two signals - the fluorescence signal and reference LED signal, using a photodetector. We have designed, developed and implemented a FD optrode system without a reference LED. The key requirement of such a system is that phase shifts due to optics at wavelength of fluorescence and electronics have to be calibrated. In the reference-free system, the reference signal comes from the lock-in-amplifier which also drives the excitation LED. The lock-in-amplifier measures the phase shift between the excitation signal and the fluorescence emission signal from the photodetector and is locked at the frequency of modulation of the excitation signal. This insures higher signal to noise ratio and low-noise measurements. The reference-free optrode system removes some constraints on the coupling optics, which help improve the overall performance of the system. After development of electronics, and optimization of coupling optics, the system was calibrated in different oxygen concentration solutions to measure fluorescence intensity and lifetime of the oxygen sensitive dye platinum tetrakis (pentafluorophenyl) porphine (PtTFPP).

Bit error rate performance of pi/4-DQPSK in a frequency-selective fast Rayleigh fading channel

NASA Technical Reports Server (NTRS)

Liu, Chia-Liang; Feher, Kamilo

1991-01-01

The bit error rate (BER) performance of pi/4-differential quadrature phase shift keying (DQPSK) modems in cellular mobile communication systems is derived and analyzed. The system is modeled as a frequency-selective fast Rayleigh fading channel corrupted by additive white Gaussian noise (AWGN) and co-channel interference (CCI). The probability density function of the phase difference between two consecutive symbols of M-ary differential phase shift keying (DPSK) signals is first derived. In M-ary DPSK systems, the information is completely contained in this phase difference. For pi/4-DQPSK, the BER is derived in a closed form and calculated directly. Numerical results show that for the 24 kBd (48 kb/s) pi/4-DQPSK operated at a carrier frequency of 850 MHz and C/I less than 20 dB, the BER will be dominated by CCI if the vehicular speed is below 100 mi/h. In this derivation, frequency-selective fading is modeled by two independent Rayleigh signal paths. Only one co-channel is assumed in this derivation. The results obtained are also shown to be valid for discriminator detection of M-ary DPSK signals.

Electrically Tunable Reflective Terahertz Phase Shifter Based on Liquid Crystal

NASA Astrophysics Data System (ADS)

Yang, Jun; Xia, Tianyu; Jing, Shuaicheng; Deng, Guangsheng; Lu, Hongbo; Fang, Yong; Yin, Zhiping

2018-02-01

We present a reflective spatial phase shifter which operates at terahertz regime above 325 GHz. The controllable permittivity of the nematic liquid crystals was utilized to realize a tunable terahertz (THz) reflective phase shifter. The reflective characteristics of the terahertz electromagnetic waves and the liquid crystal parameters were calculated and analyzed. We provide the simulation results for the effect of the incident angle of the plane wave on the reflection. The experiment was carried out considering an array consisting of 30 × 30 patch elements, printed on a 20 × 20 mm quartz substrate with 1-mm thickness. The phase shifter provides a tunable phase range of 300° over the frequency range of 325 to 337.6 GHz. The maximum phase shift of 331° is achieved at 330 GHz. The proposed phase shifter is a potential candidate for THz applications, particularly for reconfigurable reflectarrays.

Phase shifts in the Fourier spectra of phase gratings and phase grids: an application for one-shot phase-shifting interferometry.

PubMed

Toto-Arellano, Noel-Ivan; Rodriguez-Zurita, Gustavo; Meneses-Fabian, Cruz; Vazquez-Castillo, Jose F

2008-11-10

Among several techniques, phase shifting interferometry can be implemented with a grating used as a beam divider to attain several interference patterns around each diffraction order. Because each pattern has to show a different phase-shift, a suitable shifting technique must be employed. Phase gratings are attractive to perform the former task due to their higher diffraction efficiencies. But as is very well known, the Fourier coefficients of only-phase gratings are integer order Bessel functions of the first kind. The values of these real-valued functions oscillate around zero, so they can adopt negative values, thereby introducing phase shifts of pi at certain diffraction orders. Because this almost trivial fact seems to have been overlooked in the literature regarding its practical implications, in this communication such phase shifts are stressed in the description of interference patterns obtained with grating interferometers. These patterns are obtained by placing two windows in the object plane of a 4f system with a sinusoidal grating/grid in the Fourier plane. It is shown that the corresponding experimental observations of the fringe modulation, as well as the corresponding phase measurements, are all in agreement with the proposed description. A one-shot phase shifting interferometer is finally proposed taking into account these properties after proper incorporation of modulation of polarization.

First-principles Raman Spectra of Lead Titanate with Pressure

NASA Astrophysics Data System (ADS)

Schad, A.; Ganesh, P.; Cohen, R. E.; Ahart, M.

2010-03-01

PbTiO3 displays[1,2] a morphotropic phase boundary (MPB) under pressure at which electromechanical properties are maximal. Previously only complex solid-solutions were thought to exhibit such a boundary. To aid in the experimental study of the MPB region, we compute Raman scattering spectra of different phases of PbTiO3 with pressure using a DFT based first-principles approach and Density Functional Perturbation Theory (DFPT) [3]. The computed intensities and shifts with pressure agree very well with the experimental data measured on powder samples. Computations further allow comparison of Raman spectra and shifts in energetically competing phases raising the possibility of using calculations for experimental calibration of Raman spectra at any pressure. The results substantiate previous claims of a low-temperature monoclinic phase at the MPB at approximately 10 GPa in PbTiO3 as well as refute the possibility of an I4cm phase at higher pressures as suggested by other groups [4]. [1] Z. Wu and R. E. Cohen, Phys. Rev. Lett. 95, 037601 (2005), [2] M. Ahart et.al., Nature 451, 545 (2008), [3] P. Hermet et.al., J. Phys.:Condens. Matter 21, 215901 (2009) [4] P.E. Janolin et.al., Phys. Rev. Lett. 101, 237601 (2008).

Parallel-quadrature phase-shifting digital holographic microscopy using polarization beam splitter

PubMed Central

Das, Bhargab; Yelleswarapu, Chandra S; Rao, DVGLN

2012-01-01

We present a digital holography microscopy technique based on parallel-quadrature phase-shifting method. Two π/2 phase-shifted holograms are recorded simultaneously using polarization phase-shifting principle, slightly off-axis recording geometry, and two identical CCD sensors. The parallel phase-shifting is realized by combining circularly polarized object beam with a 45° degree polarized reference beam through a polarizing beam splitter. DC term is eliminated by subtracting the two holograms from each other and the object information is reconstructed after selecting the frequency spectrum of the real image. Both amplitude and phase object reconstruction results are presented. Simultaneous recording eliminates phase errors caused by mechanical vibrations and air turbulences. The slightly off-axis recording geometry with phase-shifting allows a much larger dimension of the spatial filter for reconstruction of the object information. This leads to better reconstruction capability than traditional off-axis holography. PMID:23109732

Study on structural and spectral properties of isobavachalcone and 4-hydroxyderricin by computational method

NASA Astrophysics Data System (ADS)

Rong, Yuzhi; Wu, Jinhong; Liu, Xing; Zhao, Bo; Wang, Zhengwu

Isobavachalcone and 4-hydroxyderricin, two major chalcone constituents isolated from the roots of Angelica keiskei KOIDZUMI, exhibit numerous biological activities. Quantum chemical methods have been employed to investigate their structural and spectral properties. The ground state structures were optimized using density functional B3LYP method with 6-311G (d, p) basis set in both gas and solvent phases. Based on the optimized geometries, the harmonic vibrational frequency, the 1H and 13C nuclear magnetic resonance (NMR) chemical shift using the GIAO method were calculated at the same level of theory, with the aim of verifying the experimental values. Results reveal that B3LYP has been a good method to study their vibrational spectroscopic and NMR spectral properties of the two chalcones. The electronic absorption spectra were calculated using the time-dependent density functional theory (TDDFT) method. The solvent polarity effects were considered and calculated using the polarizable continuum model (PCM). Results also show that substitutions of different electron donating groups can alter the absorption properties and shift the spectra to a higher wavelength region.

Electrostatic frequency maps for amide-I mode of β-peptide: Comparison of molecular mechanics force field and DFT calculations

NASA Astrophysics Data System (ADS)

Cai, Kaicong; Zheng, Xuan; Du, Fenfen

2017-08-01

The spectroscopy of amide-I vibrations has been widely utilized for the understanding of dynamical structure of polypeptides. For the modeling of amide-I spectra, two frequency maps were built for β-peptide analogue (N-ethylpropionamide, NEPA) in a number of solvents within different schemes (molecular mechanics force field based, GM map; DFT calculation based, GD map), respectively. The electrostatic potentials on the amide unit that originated from solvents and peptide backbone were correlated to the amide-I frequency shift from gas phase to solution phase during map parameterization. GM map is easier to construct with negligible computational cost since the frequency calculations for the samples are purely based on force field, while GD map utilizes sophisticated DFT calculations on the representative solute-solvent clusters and brings insight into the electronic structures of solvated NEPA and its chemical environments. The results show that the maps' predicted amide-I frequencies present solvation environmental sensitivities and exhibit their specific characters with respect to the map protocols, and the obtained vibrational parameters are in satisfactory agreement with experimental amide-I spectra of NEPA in solution phase. Although different theoretical schemes based maps have their advantages and disadvantages, the present maps show their potentials in interpreting the amide-I spectra for β-peptides, respectively.

Poster — Thur Eve — 30: 4D VMAT dose calculation methodology to investigate the interplay effect: experimental validation using TrueBeam Developer Mode and Gafchromic film

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

Teke, T; Milette, MP; Huang, V

2014-08-15

The interplay effect between the tumor motion and the radiation beam modulation during a VMAT treatment delivery alters the delivered dose distribution from the planned one. This work present and validate a method to accurately calculate the dose distribution in 4D taking into account the tumor motion, the field modulation and the treatment starting phase. A QUASAR™ respiratory motion phantom was 4D scanned with motion amplitude of 3 cm and with a 3 second period. A static scan was also acquired with the lung insert and the tumor contained in it centered. A VMAT plan with a 6XFFF beam wasmore » created on the averaged CT and delivered on a Varian TrueBeam and the trajectory log file was saved. From the trajectory log file 10 VMAT plans (one for each breathing phase) and a developer mode XML file were created. For the 10 VMAT plans, the tumor motion was modeled by moving the isocentre on the static scan, the plans were re-calculated and summed in the treatment planning system. In the developer mode, the tumor motion was simulated by moving the couch dynamically during the treatment. Gafchromic films were placed in the QUASAR phantom static and irradiated using the developer mode. Different treatment starting phase were investigated (no phase shift, maximum inhalation and maximum exhalation). Calculated and measured isodose lines and profiles are in very good agreement. For each starting phase, the dose distribution exhibit significant differences but are accurately calculated with the methodology presented in this work.« less

Silicon RFIC Techniques for Reconfigurable Military Applications

DTIC Science & Technology

2008-12-01

21 3.2.1 Motivation ...2008-295 21 3.2 Distributed Cascode LNAs at 20 GHz 3.2.1 Motivation Millimetrewave integrated circuits are traditionally implemented using...ZRef=50. Ohm Phase=-45. PhaseShiftSML PS4 ZRef=50. Ohm Phase=-22.5 PhaseShiftSML PS7 ZRef=50. Ohm Phase=-180 PhaseShiftSML PS8 ZRef=50. Ohm Phase=-180

Ultra narrow flat-top filter based on multiple equivalent phase shifts

NASA Astrophysics Data System (ADS)

Wang, Fei; Zou, Xihua; Yin, Zuowei; Chen, Xiangfei; Shen, Haisong

2008-11-01

Instead of real phase shifts, equivalent phase shifts (EPS) are adopted to construct ultra narrow phase-shifted band-pass filer in sampled Bragg gratings (SBG). Two optimized distributions of multiple equivalent phase shifts, using 2 and 5 EPSs respectively, are given in this paper to realize flat-top and ripple-free transmission characteristics simultaneously. Also two demonstrations with 5 EPSs both on hydrogen-loaded and photosensitive fibers are presented and their spectrums are examined by an optical vector analyzer (OVA). Given only ordinary phase mask and sub-micrometer precision control, ultra-narrowband flat-top filters with expected performance can be achieved flexibly and cost-effectively.

Dark goggles and bright light improve circadian rhythm adaptation to night-shift work.

PubMed

Eastman, C I; Stewart, K T; Mahoney, M P; Liu, L; Fogg, L F

1994-09-01

We compared the contributions of bright light during the night shift and dark goggles during daylight for phase shifting the circadian rhythm of temperature to realign with a 12-hour shift of sleep. After 10 baseline days there were 8 night-work/day-sleep days. Temperature was continuously recorded from 50 subjects. There were four groups in a 2 x 2 design: light (bright, dim), goggles (yes, no). Subjects were exposed to bright light (about 5,000 lux) for 6 hours on the first 2 night shifts. Dim light was < 500 lux. Both bright light and goggles were significant factors for producing circadian rhythm phase shifts. The combination of bright light plus goggles was the most effective, whereas the combination of dim light and no goggles was the least effective. The temperature rhythm either phase advanced or phase delayed when it aligned with daytime sleep. However, when subjects did not have goggles only phase advances occurred. Goggles were necessary for producing phase delays. The most likely explanation is that daylight during the travel-home window after a night shift inhibits phase-delay shifts, and goggles can prevent this inhibition. Larger temperature-rhythm phase shifts were associated with better subjective daytime sleep, less subjective fatigue and better mood.

Development of an Aeroelastic Analysis Including a Viscous Flow Model

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Bakhle, Milind A.

2001-01-01

Under this grant, Version 4 of the three-dimensional Navier-Stokes aeroelastic code (TURBO-AE) has been developed and verified. The TURBO-AE Version 4 aeroelastic code allows flutter calculations for a fan, compressor, or turbine blade row. This code models a vibrating three-dimensional bladed disk configuration and the associated unsteady flow (including shocks, and viscous effects) to calculate the aeroelastic instability using a work-per-cycle approach. Phase-lagged (time-shift) periodic boundary conditions are used to model the phase lag between adjacent vibrating blades. The direct-store approach is used for this purpose to reduce the computational domain to a single interblade passage. A disk storage option, implemented using direct access files, is available to reduce the large memory requirements of the direct-store approach. Other researchers have implemented 3D inlet/exit boundary conditions based on eigen-analysis. Appendix A: Aeroelastic calculations based on three-dimensional euler analysis. Appendix B: Unsteady aerodynamic modeling of blade vibration using the turbo-V3.1 code.

Nonphotic phase shifting in female Syrian hamsters: interactions with the estrous cycle.

PubMed

Young Janik, L; Janik, Daniel

2003-08-01

Nonphotic phase shifting of circadian rhythms was examined in female Syrian hamsters. Animals were stimulated at zeitgeber time 4.5 by either placing them in a novel running wheel or by transferring them to a clean home cage. Placement in a clean home cage was more effective than novel wheel treatment in stimulating large (> 1.5 h) phase shifts. Peak phase shifts (ca. 3.5 h) and the percentage of females showing large phase shifts were comparable to those found in male hamsters stimulated with novel wheels. The amount of activity induced by nonphotic stimulation and the amount of phase shifting varied slightly with respect to the 4-day estrous cycle. Animals tended to run less and shift less on the day of estrus. Nonphotic stimulation on proestrus often resulted in a 1-day delay of the estrous cycle reflected in animals' postovulatory vaginal discharge and the expression of sexual receptivity (lordosis). This delay of the estrous cycle was associated with large phase advances and high activity. These results extend the generality of nonphotic phase shifting to females for the first time and raise the possibility that resetting of circadian rhythms can induce changes in the estrous cycle.

GPUs benchmarking in subpixel image registration algorithm

NASA Astrophysics Data System (ADS)

Sanz-Sabater, Martin; Picazo-Bueno, Jose Angel; Micó, Vicente; Ferrerira, Carlos; Granero, Luis; Garcia, Javier

2015-05-01

Image registration techniques are used among different scientific fields, like medical imaging or optical metrology. The straightest way to calculate shifting between two images is using the cross correlation, taking the highest value of this correlation image. Shifting resolution is given in whole pixels which cannot be enough for certain applications. Better results can be achieved interpolating both images, as much as the desired resolution we want to get, and applying the same technique described before, but the memory needed by the system is significantly higher. To avoid memory consuming we are implementing a subpixel shifting method based on FFT. With the original images, subpixel shifting can be achieved multiplying its discrete Fourier transform by a linear phase with different slopes. This method is high time consuming method because checking a concrete shifting means new calculations. The algorithm, highly parallelizable, is very suitable for high performance computing systems. GPU (Graphics Processing Unit) accelerated computing became very popular more than ten years ago because they have hundreds of computational cores in a reasonable cheap card. In our case, we are going to register the shifting between two images, doing the first approach by FFT based correlation, and later doing the subpixel approach using the technique described before. We consider it as `brute force' method. So we will present a benchmark of the algorithm consisting on a first approach (pixel resolution) and then do subpixel resolution approaching, decreasing the shifting step in every loop achieving a high resolution in few steps. This program will be executed in three different computers. At the end, we will present the results of the computation, with different kind of CPUs and GPUs, checking the accuracy of the method, and the time consumed in each computer, discussing the advantages, disadvantages of the use of GPUs.

Pre-Combustion Carbon Dioxide Capture by a New Dual Phase Ceramic-Carbonate Membrane Reactor

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

Lin, Jerry Y. S.

2015-01-31

This report documents synthesis, characterization and carbon dioxide permeation and separation properties of a new group of ceramic-carbonate dual-phase membranes and results of a laboratory study on their application for water gas shift reaction with carbon dioxide separation. A series of ceramic-carbonate dual phase membranes with various oxygen ionic or mixed ionic and electronic conducting metal oxide materials in disk, tube, symmetric, and asymmetric geometric configurations was developed. These membranes, with the thickness of 10 μm to 1.5 mm, show CO 2 permeance in the range of 0.5-5×10 -7 mol·m -2·s -1·Pa -1 in 500-900°C and measured CO 2/N 2more » selectivity of up to 3000. CO 2 permeation mechanism and factors that affect CO 2 permeation through the dual-phase membranes have been identified. A reliable CO 2 permeation model was developed. A robust method was established for the optimization of the microstructures of ceramic-carbonate membranes. The ceramic-carbonate membranes exhibit high stability for high temperature CO 2 separations and water gas shift reaction. Water gas shift reaction in the dual-phase membrane reactors was studied by both modeling and experiments. It is found that high temperature syngas water gas shift reaction in tubular ceramic-carbonate dual phase membrane reactor is feasible even without catalyst. The membrane reactor exhibits good CO 2 permeation flux, high thermal and chemical stability and high thermal shock resistance. Reaction and separation conditions in the membrane reactor to produce hydrogen of 93% purity and CO 2 stream of >95% purity, with 90% CO 2 capture have been identified. Integration of the ceramic-carbonate dual-phase membrane reactor with IGCC process for carbon dioxide capture was analyzed. A methodology was developed to identify optimum operation conditions for a membrane tube of given dimensions that would treat coal syngas with targeted performance. The calculation results show that the dual-phase membrane reactor could improve IGCC process efficiency but the cost of the membrane reactor with membranes having current CO 2 permeance is high. Further research should be directed towards improving the performance of the membranes and developing cost-effective, scalable methods for fabrication of dual-phase membranes and membrane reactors.« less

Is Echinometra viridis facilitating a phase shift on an Acropora cervicornis patch reef in Belize?

NASA Astrophysics Data System (ADS)

Stefanic, C. M.; Greer, L.; Norvell, D.; Benson, W.; Curran, H.

2012-12-01

Coral reef health is in rapid decline across the Caribbean due to a number of anthropogenic and natural disturbances. A phase shift from coral- to macroalgae-dominant reefs is pervasive and has been well documented. Acropora cervicornis (Staghorn Coral) has been particularly affected by this shift due to mass mortality of this species since the 1980s. In recent years few Caribbean A. cervicornis refugia have been documented. This study characterizes the relationship between coral and grazing urchins on a rare patch reef system dominated by A. cervicornis off the coast of Belize. To assess relative abundance of live A. cervicornis and the urchin Echinometra viridis, photographs and urchin abundance data were collected from 132 meter square quadrats along five transects across the reef. Photographs were digitized and manually segmented using Adobe Illustrator, and percent live coral cover and branch tip densities were calculated using Matlab. Mean percent live coral cover across all transects was 24.4 % with a high of 65% live coral per meter square. Average urchin density was 18.5 per quadrat, with an average density per transect ranging from 22.1 to 0.5 per quadrat. Up to over 400 live A. cervicornis branch tips per quadrat were observed. Data show a positive correlation between E. viridis abundance and live A. cervicornis, suggesting that these urchins are facilitating recovery or persistence of this endangered coral species. These results suggest the relationship between E. viridis and A. cervicornis could be a key element in a future reversal of the coral to macroalgae phase shift on some Caribbean coral reefs.

Alternative stable states and phase shifts in coral reefs under anthropogenic stress.

PubMed

Fung, Tak; Seymour, Robert M; Johnson, Craig R

2011-04-01

Ecosystems with alternative stable states (ASS) may shift discontinuously from one stable state to another as environmental parameters cross a threshold. Reversal can then be difficult due to hysteresis effects. This contrasts with continuous state changes in response to changing environmental parameters, which are less difficult to reverse. Worldwide degradation of coral reefs, involving "phase shifts" from coral to algal dominance, highlights the pressing need to determine the likelihood of discontinuous phase shifts in coral reefs, in contrast to continuous shifts with no ASS. However, there is little evidence either for or against the existence of ASS for coral reefs. We use dynamic models to investigate the likelihood of continuous and discontinuous phase shifts in coral reefs subject to sustained environmental perturbation by fishing, nutrification, and sedimentation. Our modeling results suggest that coral reefs with or without anthropogenic stress can exhibit ASS, such that discontinuous phase shifts can occur. We also find evidence to support the view that high macroalgal growth rates and low grazing rates on macroalgae favor ASS in coral reefs. Further, our results suggest that the three stressors studied, either alone or in combination, can increase the likelihood of both continuous and discontinuous phase shifts by altering the competitive balance between corals and algae. However, in contrast to continuous phase shifts, we find that discontinuous shifts occur only in model coral reefs with parameter values near the extremes of their empirically determined ranges. This suggests that continuous shifts are more likely than discontinuous shifts in coral reefs. Our results also suggest that, for ecosystems in general, tackling multiple human stressors simultaneously maximizes resilience to phase shifts, ASS, and hysteresis, leading to improvements in ecosystem health and functioning.

EUV phase-shifting masks and aberration monitors

NASA Astrophysics Data System (ADS)

Deng, Yunfei; Neureuther, Andrew R.

2002-07-01

Rigorous electromagnetic simulation with TEMPEST is used to examine the use of phase-shifting masks in EUV lithography. The effects of oblique incident illumination and mask patterning by ion-mixing of multilayers are analyzed. Oblique incident illumination causes streamers at absorber edges and causes position shifting in aerial images. The diffraction waves between ion-mixed and pristine multilayers are observed. The phase-shifting caused by stepped substrates is simulated and images show that it succeeds in creation of phase-shifting effects. The diffraction process at the phase boundary is also analyzed. As an example of EUV phase-shifting masks, a coma pattern and probe based aberration monitor is simulated and aerial images are formed under different levels of coma aberration. The probe signal rises quickly as coma increases as designed.

Dynamic phasing of multichannel cw laser radiation by means of a stochastic gradient algorithm

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

Volkov, V A; Volkov, M V; Garanin, S G

2013-09-30

The phasing of a multichannel laser beam by means of an iterative stochastic parallel gradient (SPG) algorithm has been numerically and experimentally investigated. The operation of the SPG algorithm is simulated, the acceptable range of amplitudes of probe phase shifts is found, and the algorithm parameters at which the desired Strehl number can be obtained with a minimum number of iterations are determined. An experimental bench with phase modulators based on lithium niobate, which are controlled by a multichannel electronic unit with a real-time microcontroller, has been designed. Phasing of 16 cw laser beams at a system response bandwidth ofmore » 3.7 kHz and phase thermal distortions in a frequency band of about 10 Hz is experimentally demonstrated. The experimental data are in complete agreement with the calculation results. (control of laser radiation parameters)« less

Amplitude and Phase Characteristics of Signals at the Output of Spatially Separated Antennas for Paths with Scattering

NASA Astrophysics Data System (ADS)

Anikin, A. S.

2018-06-01

Conditional statistical characteristics of the phase difference are considered depending on the ratio of instantaneous output signal amplitudes of spatially separated weakly directional antennas for the normal field model for paths with radio-wave scattering. The dependences obtained are related to the physical processes on the radio-wave propagation path. The normal model parameters are established at which the statistical characteristics of the phase difference depend on the ratio of the instantaneous amplitudes and hence can be used to measure the phase difference. Using Shannon's formula, the amount of information on the phase difference of signals contained in the ratio of their amplitudes is calculated depending on the parameters of the normal field model. Approaches are suggested to reduce the shift of phase difference measured for paths with radio-wave scattering. A comparison with results of computer simulation by the Monte Carlo method is performed.

Computer simulation studies of anisotropic systems. XXXII. Field-induction of a smectic A phase in a Gay-Berne mesogen

NASA Astrophysics Data System (ADS)

Luckhurst, G. R.; Saielli, G.

2000-03-01

Molecular field theory predicts the induction of a smectic A phase by the application of a field, either magnetic or electric, to a nematic phase. This intriguing behavior results from an enhancement of the orientational order which is coupled to the translational order and so shifts the smectic A-nematic transition. To test this prediction we have investigated a system of Gay-Berne mesogenic molecules subject to an applied field of second rank using isothermal-isobaric Monte Carlo simulations. The results of our calculations are compared with the Kventsel-Luckhurst-Zewdie molecular field theory of smectogens, modified to include the effect of an external field. We have also used the simulations to explore the possibility of inducing more ordered smectic phases with stronger fields.

Self-potential response to periodic pumping test: a numerical study

NASA Astrophysics Data System (ADS)

Konosavsky, Pavel; Maineult, Alexis; Narbut, Mikhail; Titov, Konstantin

2017-09-01

We numerically model self-potential responses associated with periodic pumping test experiments by sequential calculation of the hydraulic response and the coupled electrical potential. We assume the pumping test experiments with a fully saturated confined aquifer. Application of different excitation functions leads to quasi-linear trends in electrical records whose direction and intensity depend on the form of the excitation function. The hydraulic response is phase shifted compared to the excitation function; the phase shift increases quasi-linearly with the distance from the pumping well. For the electrical signals, we investigated separately the cases of conducting and insulating casings of the pumping well. For the conducting casing the electrical signals are larger in magnitude than that for the insulating casing; they reproduce the drawdown signals in the pumping well at any distance from the well and exhibit any phase shift with the increased distance. For the insulating casing, the electrical signals are phase shifted and their shape depends on the distance from the pumping well. Three characteristic regimes were found for the phase shift, φ, with the increased distance and for various hydraulic diffusivity values. At small distances φ increases quasi-linearly; at intermediate distances φ attends the value of π/2 and stay about this value (for relatively small diffusivity values); and at large distances φ attends the value of π and, stay about this value at larger distances. This behaviour of the electrical signals can be explained by two electrical sources of reverse polarity. They are (i) linear, time independent, and located at the pumping interval of the well; and (ii) volumetric, time dependent, with maximum value located in the aquifer at the distance corresponding to maximum variation of the hydraulic head magnitude with time. We also model the variation of the amplitude and phase of the hydraulic and electrical signals with increased excitation function period, and we show the characteristic periods corresponding to transition of the periodic pumping test regime to the classical pumping test regime, when the excitation function is considered as the step-function. This transition depends on the distance from the pumping well and the hydraulic diffusivity value of aquifer. Finally, with this modelling of saturated flow we reproduced in sufficient details the field data previously obtained by Maineult et al.

Precision improving of double beam shadow moiré interferometer by phase shifting interferometry for the stress of flexible substrate

NASA Astrophysics Data System (ADS)

Huang, Kuo-Ting; Chen, Hsi-Chao; Lin, Ssu-Fan; Lin, Ke-Ming; Syue, Hong-Ye

2012-09-01

While tin-doped indium oxide (ITO) has been extensively applied in flexible electronics, the problem of the residual stress has many obstacles to overcome. This study investigated the residual stress of flexible electronics by the double beam shadow moiré interferometer, and focused on the precision improvement with phase shifting interferometry (PSI). According to the out-of-plane displacement equation, the theoretical error depends on the grating pitch and the angle between incident light and CCD. The angle error could be reduced to 0.03% by the angle shift of 10° as a result of the double beam interferometer was a symmetrical system. But the experimental error of the double beam moiré interferometer still reached to 2.2% by the noise of the vibration and interferograms. In order to improve the measurement precision, PSI was introduced to the double shadow moiré interferometer. Wavefront phase was reconstructed by the five interferograms with the Hariharan algorithm. The measurement results of standard cylinder indicating the error could be reduced from 2.2% to less than 1% with PSI. The deformation of flexible electronic could be reconstructed fast and calculated the residual stress with the Stoney correction formula. This shadow moiré interferometer with PSI could improve the precision of residual stress for flexible electronics.

Resonance-state properties from a phase shift analysis with the S -matrix pole method and the effective-range method

NASA Astrophysics Data System (ADS)

Irgaziev, B. F.; Orlov, Yu. V.

2015-02-01

Asymptotic normalization coefficients (ANCs) are fundamental nuclear constants playing an important role in nuclear physics and astrophysics. We derive a new useful relationship between ANCs of the Gamow radial wave function and the renormalized (due to the Coulomb interaction) Coulomb-nuclear partial scattering amplitude. We use an analytical approximation in the form of a series for the nonresonant part of the phase shift which can be analytically continued to the point of an isolated resonance pole in the complex plane of the momentum. Earlier, this method which we call the S -matrix pole method was used by us to find the resonance pole energy. We find the corresponding fitting parameters for the 5He,5Li , and 16O concrete resonance states. Additionally, based on the theory of the effective range, we calculate the parameters of the p3 /2 and p1 /2 resonance states of the nuclei 5He and 5Li and compare them with the results obtained by the S -matrix pole method. ANC values are found which can be used to calculate the reaction rate through the 16O resonances which lie slightly above the threshold for the α 12C channel.

Ab initio many-body calculations of nucleon- 4He scattering with three-nucleon forces

DOE PAGES

Hupin, Guillaume; Langhammer, Joachim; Navratil, Petr; ...

2013-11-27

We extend the ab initio no-core shell model/resonating-group method to include three-nucleon (3N) interactions for the description of nucleon-nucleus collisions. We outline the formalism, give algebraic expressions for the 3N-force integration kernels, and discuss computational aspects of two alternative implementations. The extended theoretical framework is then applied to nucleon- 4He elastic scattering using similarity-renormalization-group (SRG)-evolved nucleon-nucleon plus 3N potentials derived from chiral effective field theory. We analyze the convergence properties of the calculated phase shifts and explore their dependence upon the SRG evolution parameter. We include up to six excited states of the 4He target and find significant effects frommore » the inclusion of the chiral 3N force, e.g., it enhances the spin-orbit splitting between the 3/2 – and 1/2 – resonances and leads to an improved agreement with the phase shifts obtained from an accurate R-matrix analysis of the five-nucleon experimental data. As a result, we find remarkably good agreement with measured differential cross sections at various energies below the d+ 3H threshold, while analyzing powers manifest larger deviations from experiment for certain energies and angles.« less

Frequency stabilization in nonlinear MEMS and NEMS oscillators

DOEpatents

Lopez, Omar Daniel; Antonio, Dario

2014-09-16

An illustrative system includes an amplifier operably connected to a phase shifter. The amplifier is configured to amplify a voltage from an oscillator. The phase shifter is operably connected to a driving amplitude control, wherein the phase shifter is configured to phase shift the amplified voltage and is configured to set an amplitude of the phase shifted voltage. The oscillator is operably connected to the driving amplitude control. The phase shifted voltage drives the oscillator. The oscillator is at an internal resonance condition, based at least on the amplitude of the phase shifted voltage, that stabilizes frequency oscillations in the oscillator.

Direct Measurement of Large, Diffuse, Optical Structures

NASA Technical Reports Server (NTRS)

Saif, Babak N.; Keski-Kuha, Ritva; Feinberg, Lee; Wyant, J. C.; Atkinson, C.

2004-01-01

Digital Speckle Pattern Interferometry (DSPI) is a well-established method for the measurement of diffuse objects in experimental mechanics. DSPIs are phase shifting interferometers. Three or four bucket temporal phase shifting algorithms are commonly used to provide phase shifting. These algorithms are sensitive to vibrations and can not be used to measure large optical structures far away from the interferometer. In this research a simultaneous phase shifted interferometer, PhaseCam product of 4D Technology Corporation in Tucson Arizona, is modified to be a Simultaneous phase shifted Digital Speckle Pattern Interferometer (SDSPI). Repeatability, dynamic range, and accuracy of the SDSPI are characterized by measuring a 5 cm x 5 cm carbon fiber coupon.

A theoretical framework for the changing spectral properties of meter-scale Farley-Buneman waves between 90 and 125 km altitudes

NASA Astrophysics Data System (ADS)

St.-Maurice, Jean-Pierre; Chau, Jorge L.

2016-10-01

Stimulated by recent observations described in a companion paper, we have revisited existing theories of the Farley-Buneman instability throughout the altitude range 90 to 125 km. We have assumed that the irregularities detected by radars at a given altitude are dominated by structures moving at the threshold speed in a direction associated with maximum linear growth rate conditions. We included recent nonisothermal electron and ion theories, which can modify threshold speeds by considerable amounts. We included altitude-dependent models of ion and electron temperature and of the ion motion in the phase velocity calculations. Our treatment of the instability explains why some spectra are slow (Doppler shifts typically 200 m/s) and narrow, while others are fast (1500 m/s or close to the E × B) and narrow. These narrow spectra have all the characteristics of what has been labeled as "Type III" and "Type IV" in the past. Our calculations also offer an explanation for the observation of a strong asymmetry in the number of events with positive Doppler shifts near the nominal ion-acoustic speed and those with negative Doppler shifts of the same magnitude.

A novel phase retrieval method from three-wavelength in-line phase-shifting interferograms based on positive negative 2π phase shifts

NASA Astrophysics Data System (ADS)

Xu, Xiaoqing; Wang, Yawei; Ji, Ying; Xu, Yuanyuan; Xie, Ming

2018-01-01

A new method to extract quantitative phases for each wavelength from three-wavelength in-line phase-shifting interferograms is proposed. Firstly, seven interferograms with positive negative 2π phase shifts are sequentially captured by using the phase-shifting technique. Secondly, six dc-term suppressed intensities can be achieved by the use of the algebraic algorithm. Finally, the wrapped phases at the three wavelengths can be acquired simultaneously from these six interferograms add-subtracting by employing the trigonometric function method. The surface morphology with increased ambiguity-free range at synthetic beat wavelength can be obtained, while maintaining the low noise precision of the single wavelength measurement, by combining this method with three-wavelength phase unwrapping method. We illustrate the principle of this algorithm, and the simulated experiments of the spherical cap and the HeLa cell are conducted to prove our proposed method, respectively.

Photoinduced intramolecular charge transfer (ICT) reaction in trans-methyl p-(dimethylamino) cinnamate: A combined fluorescence measurement and quantum chemical calculations

NASA Astrophysics Data System (ADS)

Chakraborty, Amrita; Kar, Samiran; Guchhait, Nikhil

2006-01-01

The photophysical behaviour of trans-methyl p-(dimethylamino) cinnamate ( t-MDMAC) donor-acceptor system has been investigated by steady-state absorption and emission spectroscopy and quantum chemical calculations. The molecule t-MDMAC shows an emission from the locally excited state in non-polar solvents. In addition to weak local emission, a strong solvent dependent red shifted fluorescence in polar aprotic solvents is attributed to highly polar intramolecular charge transfer state. However, the formation of hydrogen-bonded clusters with polar protic solvents has been suggested from a linear correlation between the observed red shifted fluorescence band maxima with hydrogen bonding parameters ( α). Calculations by ab initio and density functional theory show that the lone pair electron at nitrogen center is out of plane of the benzene ring in the global minimum ground state structure. In the gas phase, a potential energy surface along the twist coordinate at the donor (-NMe 2) and acceptor (-CH = CHCOOMe) sites shows stabilization of S 1 state and destabilization S 2 and S 0 states. A similar potential energy calculation along the twist coordinate in acetonitrile solvent using non-equilibrium polarized continuum model also shows more stabilization of S 1 state relative to other states and supports solvent dependent red shifted emission properties. In all types of calculations it is found that the nitrogen lone pair is delocalized over the benzene ring in the global minimum ground state and is localized on the nitrogen centre at the 90° twisted configuration. The S 1 energy state stabilization along the twist coordinate at the donor site and localized nitrogen lone pair at the perpendicular configuration support well the observed dual fluorescence in terms of proposed twisted intramolecular charge transfer (TICT) model.

3D measurement using combined Gray code and dual-frequency phase-shifting approach

NASA Astrophysics Data System (ADS)

Yu, Shuang; Zhang, Jing; Yu, Xiaoyang; Sun, Xiaoming; Wu, Haibin; Liu, Xin

2018-04-01

The combined Gray code and phase-shifting approach is a commonly used 3D measurement technique. In this technique, an error that equals integer multiples of the phase-shifted fringe period, i.e. period jump error, often exists in the absolute analog code, which can lead to gross measurement errors. To overcome this problem, the present paper proposes 3D measurement using a combined Gray code and dual-frequency phase-shifting approach. Based on 3D measurement using the combined Gray code and phase-shifting approach, one set of low-frequency phase-shifted fringe patterns with an odd-numbered multiple of the original phase-shifted fringe period is added. Thus, the absolute analog code measured value can be obtained by the combined Gray code and phase-shifting approach, and the low-frequency absolute analog code measured value can also be obtained by adding low-frequency phase-shifted fringe patterns. Then, the corrected absolute analog code measured value can be obtained by correcting the former by the latter, and the period jump errors can be eliminated, resulting in reliable analog code unwrapping. For the proposed approach, we established its measurement model, analyzed its measurement principle, expounded the mechanism of eliminating period jump errors by error analysis, and determined its applicable conditions. Theoretical analysis and experimental results show that the proposed approach can effectively eliminate period jump errors, reliably perform analog code unwrapping, and improve the measurement accuracy.

Hydrostatic pressure and temperature effect on the Raman spectra of the molecular crystal 2-amine-1,3,4-thiadiazole

NASA Astrophysics Data System (ADS)

de Toledo, T. A.; da Costa, R. C.; Bento, R. R. F.; Pizani, P. S.

2018-03-01

The structural, thermal and vibrational properties of the molecular crystal 2-amine-1,3,4-thiadiazole (ATD) were investigated combining X-ray diffraction, infrared spectroscopy, Raman scattering (in solid and in solution) and thermal analysis as experimental techniques and first principle calculations based on density functional theory using PZ, BLYP in condensed-phase and B3LYP/cc-pVTZ in isolated molecule methods. The structural stability and phonon anharmonicity were also studied using Raman spectroscopy at different temperatures and hydrostatic pressures. A reasonable agreement was obtained between calculated and experimental results. The main difference between experimental and computed structural and vibrational spectra occurred in the intermolecular bond distance Nsbnd H⋯N and stretching modes of NH2. The vibrational spectra were interpreted and assigned based on group theory and functional group analysis assisted by theoretical results, which led to a more comprehensive knowledge about external and internal modes at different thermodynamic conditions. As temperature increases, it was observed the line-width increases and red-shifts, indicating a phonon anharmonicity without a temperature-induced phase transition in the range 10-413 K. However, ATD crystal undergoes a phase transition in the temperature range 413-475 K, as indicated by thermal analysis curve and Raman spectra. Furthermore, increasing pressure from ambient to 3.1 GPa, it was observed the splitting of the external Raman bands centered at 122 cm-1 (at 0.2 GPa), 112 cm-1 (1.1 GPa), 93 cm-1 (2.4 GPa) in two components as well as the appearance of new band near 50 cm-1 at 1.1 GPa, indicating a possible phase-transition. The blue-shift of the Raman bands was associated to anharmonicity of the interatomic potential caused by unit cell contraction.

Etched-multilayer phase shifting masks for EUV lithography

DOEpatents

Chapman, Henry N.; Taylor, John S.

2005-04-05

A method is disclosed for the implementation of phase shifting masks for EUV lithography. The method involves directly etching material away from the multilayer coating of the mask, to cause a refractive phase shift in the mask. By etching into the multilayer (for example, by reactive ion etching), rather than depositing extra material on the top of the multilayer, there will be minimal absorption loss associated with the phase shift.

Constant frequency pulsed phase-locked loop measuring device

NASA Technical Reports Server (NTRS)

Yost, William T. (Inventor); Kushnick, Peter W. (Inventor); Cantrell, John H. (Inventor)

1993-01-01

A measuring apparatus is presented that uses a fixed frequency oscillator to measure small changes in the phase velocity ultrasonic sound when a sample is exposed to environmental changes such as changes in pressure, temperature, etc. The invention automatically balances electrical phase shifts against the acoustical phase shifts in order to obtain an accurate measurement of electrical phase shifts.

Absolute Definition of Phase Shift in the Elastic Scattering of a Particle from Compound Systems

NASA Technical Reports Server (NTRS)

Temkin, A.

1961-01-01

The projection of the target wave function on the total wave function of a scattered particle interacting with the target system is used to define an absolute phase shift including any multiples of pi. With this definition of the absolute phase shift, one can prove rigorously in the limit of zero energy for s-wave electrons scattered from atomic hydrogen that the triplet phase shift must approach a nonzero multiple of pi. One can further show that at least one pi of this phase shift is not connected with the existence of a bound state of the H- ion.

Phase-contrast scanning transmission electron microscopy.

PubMed

Minoda, Hiroki; Tamai, Takayuki; Iijima, Hirofumi; Hosokawa, Fumio; Kondo, Yukihito

2015-06-01

This report introduces the first results obtained using phase-contrast scanning transmission electron microscopy (P-STEM). A carbon-film phase plate (PP) with a small center hole is placed in the condenser aperture plane so that a phase shift is introduced in the incident electron waves except those passing through the center hole. A cosine-type phase-contrast transfer function emerges when the phase-shifted scattered waves interfere with the non-phase-shifted unscattered waves, which passed through the center hole before incidence onto the specimen. The phase contrast resulting in P-STEM is optically identical to that in phase-contrast transmission electron microscopy that is used to provide high contrast for weak phase objects. Therefore, the use of PPs can enhance the phase contrast of the STEM images of specimens in principle. The phase shift resulting from the PP, whose thickness corresponds to a phase shift of π, has been confirmed using interference fringes displayed in the Ronchigram of a silicon single crystal specimen. The interference fringes were found to abruptly shift at the edge of the PP hole by π. © The Author 2015. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Design and verification of the miniature optical system for small object surface profile fast scanning

NASA Astrophysics Data System (ADS)

Chi, Sheng; Lee, Shu-Sheng; Huang, Jen, Jen-Yu; Lai, Ti-Yu; Jan, Chia-Ming; Hu, Po-Chi

2016-04-01

As the progress of optical technologies, different commercial 3D surface contour scanners are on the market nowadays. Most of them are used for reconstructing the surface profile of mold or mechanical objects which are larger than 50 mm×50 mm× 50 mm, and the scanning system size is about 300 mm×300 mm×100 mm. There are seldom optical systems commercialized for surface profile fast scanning for small object size less than 10 mm×10 mm×10 mm. Therefore, a miniature optical system has been designed and developed in this research work for this purpose. Since the most used scanning method of such system is line scan technology, we have developed pseudo-phase shifting digital projection technology by adopting projecting fringes and phase reconstruction method. A projector was used to project a digital fringe patterns on the object, and the fringes intensity images of the reference plane and of the sample object were recorded by a CMOS camera. The phase difference between the plane and object can be calculated from the fringes images, and the surface profile of the object was reconstructed by using the phase differences. The traditional phase shifting method was accomplished by using PZT actuator or precisely controlled motor to adjust the light source or grating and this is one of the limitations for high speed scanning. Compared with the traditional optical setup, we utilized a micro projector to project the digital fringe patterns on the sample. This diminished the phase shifting processing time and the controlled phase differences between the shifted phases become more precise. Besides, the optical path design based on a portable device scanning system was used to minimize the size and reduce the number of the system components. A screwdriver section about 7mm×5mm×5mm has been scanned and its surface profile was successfully restored. The experimental results showed that the measurement area of our system can be smaller than 10mm×10mm, the precision reached to +/-10μm, and the scanning time for each surface of an object was less than 15 seconds. This has proved that our system own the potential to be a fast scanning scanner for small object surface profile scanning.

Influence of OPD in wavelength-shifting interferometry

NASA Astrophysics Data System (ADS)

Wang, Hongjun; Tian, Ailing; Liu, Bingcai; Dang, Juanjuan

2009-12-01

Phase-shifting interferometry is a powerful tool for high accuracy optical measurement. It operates by change the optical path length in the reference arm or test arm. This method practices by move optical device. So it has much problem when the optical device is very large and heavy. For solve this problem, the wavelength-shifting interferometry was put forwarded. In wavelength-shifting interferometry, the phase shifting angle was achieved by change the wavelength of optical source. The phase shifting angle was decided by wavelength and OPD (Optical Path Difference) between test and reference wavefront. So the OPD is an important factor to measure results. But in measurement, because the positional error and profile error of under testing optical element is exist, the phase shifting angle is different in different test point when wavelength scanning, it will introduce phase shifting angle error, so it will introduce optical surface measure error. For analysis influence of OPD on optical surface error, the relation between surface error and OPD was researched. By simulation, the relation between phase shifting error and OPD was established. By analysis, the error compensation method was put forward. After error compensation, the measure results can be improved to great extend.

Influence of OPD in wavelength-shifting interferometry

NASA Astrophysics Data System (ADS)

Wang, Hongjun; Tian, Ailing; Liu, Bingcai; Dang, Juanjuan

2010-03-01

Phase-shifting interferometry is a powerful tool for high accuracy optical measurement. It operates by change the optical path length in the reference arm or test arm. This method practices by move optical device. So it has much problem when the optical device is very large and heavy. For solve this problem, the wavelength-shifting interferometry was put forwarded. In wavelength-shifting interferometry, the phase shifting angle was achieved by change the wavelength of optical source. The phase shifting angle was decided by wavelength and OPD (Optical Path Difference) between test and reference wavefront. So the OPD is an important factor to measure results. But in measurement, because the positional error and profile error of under testing optical element is exist, the phase shifting angle is different in different test point when wavelength scanning, it will introduce phase shifting angle error, so it will introduce optical surface measure error. For analysis influence of OPD on optical surface error, the relation between surface error and OPD was researched. By simulation, the relation between phase shifting error and OPD was established. By analysis, the error compensation method was put forward. After error compensation, the measure results can be improved to great extend.

3D mouse shape reconstruction based on phase-shifting algorithm for fluorescence molecular tomography imaging system.

PubMed

Zhao, Yue; Zhu, Dianwen; Baikejiang, Reheman; Li, Changqing

2015-11-10

This work introduces a fast, low-cost, robust method based on fringe pattern and phase shifting to obtain three-dimensional (3D) mouse surface geometry for fluorescence molecular tomography (FMT) imaging. We used two pico projector/webcam pairs to project and capture fringe patterns from different views. We first calibrated the pico projectors and the webcams to obtain their system parameters. Each pico projector/webcam pair had its own coordinate system. We used a cylindrical calibration bar to calculate the transformation matrix between these two coordinate systems. After that, the pico projectors projected nine fringe patterns with a phase-shifting step of 2π/9 onto the surface of a mouse-shaped phantom. The deformed fringe patterns were captured by the corresponding webcam respectively, and then were used to construct two phase maps, which were further converted to two 3D surfaces composed of scattered points. The two 3D point clouds were further merged into one with the transformation matrix. The surface extraction process took less than 30 seconds. Finally, we applied the Digiwarp method to warp a standard Digimouse into the measured surface. The proposed method can reconstruct the surface of a mouse-sized object with an accuracy of 0.5 mm, which we believe is sufficient to obtain a finite element mesh for FMT imaging. We performed an FMT experiment using a mouse-shaped phantom with one embedded fluorescence capillary target. With the warped finite element mesh, we successfully reconstructed the target, which validated our surface extraction approach.

Phase shifting interferometry based on a vibration sensor - feasibility study on elimination of the depth degeneracy

NASA Astrophysics Data System (ADS)

Lee, Seung Seok; Kim, Ju Ha; Choi, Eun Seo

2017-04-01

We proposed novel phase-shifting interferometry using a fiber-optic vibration sensor. The Doppler shift in the coiled fiber caused by vibrations can be used to detect the vibrations by using a fiber-optic interferometer. The principle can be applied to induce phase shifts. While applying vibrations to the coiled fiber at various vibration frequencies, we recorded the variations in the interference fringes. The interference fringe moved to longer wavelengths when a vibration frequency was increased from 38.00 to 38.40 kHz. Phase variations of 3.59 rad/kHz were obtained. The ability to accurately control the phase by using the vibrations in the coiled fiber was demonstrated by the elimination of the depth degeneracy using the complex signal generated by the phase-shifted interference fringes. Using vibrations to control phase shifting can be an acceptable alternative to conventional methods and can be applied to resolve the depth ambiguity in Fourier domain optical coherence tomography.

Spectral changes induced by a phase modulator acting as a time lens

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

Plansinis, B. W.; Donaldson, W. R.; Agrawal, G. P.

2015-07-06

We show both numerically and experimentally that a phase modulator, acting as a time lens in the Fourier-lens configuration, can induce spectral broadening, narrowing, or shifts, depending on the phase of the modulator cycle. These spectral effects depend on the maximum phase shift that can be imposed by the modulator. In our numerical simulations, pulse spectrum could be compressed by a factor of 8 for a 30 rad phase shift. Experimentally, spectral shifts over a 1.35 nm range and spectral narrowing and broadening by a factor of 2 were demonstrated using a lithium niobate phase modulator with a maximum phasemore » shift of 16 rad at a 10 GHz modulation frequency. All spectral changes were accomplished without employing optical nonlinear effects such as self- or cross-phase modulation.« less

Image phase shift invariance based cloud motion displacement vector calculation method for ultra-short-term solar PV power forecasting

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

Wang, Fei; Zhen, Zhao; Liu, Chun

Irradiance received on the earth's surface is the main factor that affects the output power of solar PV plants, and is chiefly determined by the cloud distribution seen in a ground-based sky image at the corresponding moment in time. It is the foundation for those linear extrapolation-based ultra-short-term solar PV power forecasting approaches to obtain the cloud distribution in future sky images from the accurate calculation of cloud motion displacement vectors (CMDVs) by using historical sky images. Theoretically, the CMDV can be obtained from the coordinate of the peak pulse calculated from a Fourier phase correlation theory (FPCT) method throughmore » the frequency domain information of sky images. The peak pulse is significant and unique only when the cloud deformation between two consecutive sky images is slight enough, which is likely possible for a very short time interval (such as 1?min or shorter) with common changes in the speed of cloud. Sometimes, there will be more than one pulse with similar values when the deformation of the clouds between two consecutive sky images is comparatively obvious under fast changing cloud speeds. This would probably lead to significant errors if the CMDVs were still only obtained from the single coordinate of the peak value pulse. However, the deformation estimation of clouds between two images and its influence on FPCT-based CMDV calculations are terrifically complex and difficult because the motion of clouds is complicated to describe and model. Therefore, to improve the accuracy and reliability under these circumstances in a simple manner, an image-phase-shift-invariance (IPSI) based CMDV calculation method using FPCT is proposed for minute time scale solar power forecasting. First, multiple different CMDVs are calculated from the corresponding consecutive images pairs obtained through different synchronous rotation angles compared to the original images by using the FPCT method. Second, the final CMDV is generated from all of the calculated CMDVs through a centroid iteration strategy based on its density and distance distribution. Third, the influence of different rotation angle resolution on the final CMDV is analyzed as a means of parameter estimation. Simulations under various scenarios including both thick and thin clouds conditions indicated that the proposed IPSI-based CMDV calculation method using FPCT is more accurate and reliable than the original FPCT method, optimal flow (OF) method, and particle image velocimetry (PIV) method.« less

Image phase shift invariance based cloud motion displacement vector calculation method for ultra-short-term solar PV power forecasting

DOE PAGES

Wang, Fei; Zhen, Zhao; Liu, Chun; ...

2017-12-18

Irradiance received on the earth's surface is the main factor that affects the output power of solar PV plants, and is chiefly determined by the cloud distribution seen in a ground-based sky image at the corresponding moment in time. It is the foundation for those linear extrapolation-based ultra-short-term solar PV power forecasting approaches to obtain the cloud distribution in future sky images from the accurate calculation of cloud motion displacement vectors (CMDVs) by using historical sky images. Theoretically, the CMDV can be obtained from the coordinate of the peak pulse calculated from a Fourier phase correlation theory (FPCT) method throughmore » the frequency domain information of sky images. The peak pulse is significant and unique only when the cloud deformation between two consecutive sky images is slight enough, which is likely possible for a very short time interval (such as 1?min or shorter) with common changes in the speed of cloud. Sometimes, there will be more than one pulse with similar values when the deformation of the clouds between two consecutive sky images is comparatively obvious under fast changing cloud speeds. This would probably lead to significant errors if the CMDVs were still only obtained from the single coordinate of the peak value pulse. However, the deformation estimation of clouds between two images and its influence on FPCT-based CMDV calculations are terrifically complex and difficult because the motion of clouds is complicated to describe and model. Therefore, to improve the accuracy and reliability under these circumstances in a simple manner, an image-phase-shift-invariance (IPSI) based CMDV calculation method using FPCT is proposed for minute time scale solar power forecasting. First, multiple different CMDVs are calculated from the corresponding consecutive images pairs obtained through different synchronous rotation angles compared to the original images by using the FPCT method. Second, the final CMDV is generated from all of the calculated CMDVs through a centroid iteration strategy based on its density and distance distribution. Third, the influence of different rotation angle resolution on the final CMDV is analyzed as a means of parameter estimation. Simulations under various scenarios including both thick and thin clouds conditions indicated that the proposed IPSI-based CMDV calculation method using FPCT is more accurate and reliable than the original FPCT method, optimal flow (OF) method, and particle image velocimetry (PIV) method.« less

Spectroscopic (vibrational, NMR and UV-vis.) and quantum chemical investigations on 4-hexyloxy-3-methoxybenzaldehyde.

PubMed

Abbas, Ashgar; Gökce, Halil; Bahçeli, Semiha

2016-01-05

In this study, the 4-hexyloxy-3-methoxybenzaldehyde compound as one of the derivatives of vanillin which is a well known flavoring agent, C14H20O3, has been investigated by experimentally and extensively utilizing density functional theory (DFT) at the B3LYP/6-311++G(d,p) level. In this context, the optimized geometry, vibrational frequencies, (1)H and (13)C NMR chemical shifts, UV-vis. (in gas phase and in methanol solvent) spectra, HOMO-LUMO analysis, molecular electrostatic potential (MEP), thermodynamic parameters and atomic charges of 4-hexyloxy-3-methoxybenzaldehyde have been calculated. In addition, theoretically predicted IR, Raman and UV-vis. (in gas phase and in methanol solvent) spectra of the mentioned molecule have been constructed. The results calculated were compared with the experimental data. Copyright © 2015 Elsevier B.V. All rights reserved.

Structure of dimethylphenyl betaine hydrochloride studied by X-ray diffraction, DFT calculation, NMR and FTIR spectra

NASA Astrophysics Data System (ADS)

Szafran, M.; Katrusiak, A.; Dega-Szafran, Z.; Kowalczyk, I.

2013-01-01

The structure of dimethylphenyl betaine hydrochloride (1) has been studied by X-ray diffraction, DFT calculations, NMR and FTIR spectra. The crystals are monoclinic, space group P21/c. In the crystal, the Cl- anion is connected with protonated betaine through the O-H⋯Cl- hydrogen bond of 2.943(2) Å. The structures in the gas phase (2) and water solution (3) have been optimized by the B3LYP/6-311++G(d,p) approach and the geometrical results have been compared with the X-ray data of 1. The FTIR spectrum of the solid compound is consistent with the X-ray results. The probable assignments of the anharmonic experimental vibrational frequencies of the investigated chloride (1) based on the calculated harmonic frequencies in water solution (3) are proposed. The correlations between the experimental 1H and 13C NMR chemical shifts (δexp) of 1 in D2O and the magnetic isotropic shielding constants (σcalc) calculated by the GIAO/B3LYP/6-311G++(d,p) approach, using the screening solvation model (COSMO), δexp = a + b σcalc, for optimized molecule 3 in water solution are linear and correctly reproduce the experimental chemical shifts.

The electronic characterization of biphenylene—Experimental and theoretical insights from core and valence level spectroscopy

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

Lüder, Johann; Sanyal, Biplab; Eriksson, Olle

In this paper, we provide detailed insights into the electronic structure of the gas phase biphenylene molecule through core and valence spectroscopy. By comparing results of X-ray Photoelectron Spectroscopy (XPS) measurements with ΔSCF core-hole calculations in the framework of Density Functional Theory (DFT), we could decompose the characteristic contributions to the total spectra and assign them to non-equivalent carbon atoms. As a difference with similar molecules like biphenyl and naphthalene, an influence of the localized orbitals on the relative XPS shifts was found. The valence spectrum probed by photoelectron spectroscopy at a photon energy of 50 eV in conjunction withmore » hybrid DFT calculations revealed the effects of the localization on the electronic states. Using the transition potential approach to simulate the X-ray absorption spectroscopy measurements, similar contributions from the non-equivalent carbon atoms were determined from the total spectrum, for which the slightly shifted individual components can explain the observed asymmetric features.« less

Digital signal processing based on inverse scattering transform.

PubMed

Turitsyna, Elena G; Turitsyn, Sergei K

2013-10-15

Through numerical modeling, we illustrate the possibility of a new approach to digital signal processing in coherent optical communications based on the application of the so-called inverse scattering transform. Considering without loss of generality a fiber link with normal dispersion and quadrature phase shift keying signal modulation, we demonstrate how an initial information pattern can be recovered (without direct backward propagation) through the calculation of nonlinear spectral data of the received optical signal.

Tunable two-dimensional photonic crystals using liquid crystal infiltration

NASA Astrophysics Data System (ADS)

Leonard, S. W.; Mondia, J. P.; van Driel, H. M.; Toader, O.; John, S.; Busch, K.; Birner, A.; Gösele, U.; Lehmann, V.

2000-01-01

The photonic band gap of a two-dimensional photonic crystal is continuously tuned using the temperature dependent refractive index of a liquid crystal. Liquid crystal E7 was infiltrated into the air pores of a macroporous silicon photonic crystal with a triangular lattice pitch of 1.58 μm and a band gap wavelength range of 3.3-5.7 μm. After infiltration, the band gap for the H polarized field shifted dramatically to 4.4-6.0 μm while that of the E-polarized field collapsed. As the sample was heated to the nematic-isotropic phase transition temperature of the liquid crystal (59 °C), the short-wavelength band edge of the H gap shifted by as much as 70 nm while the long-wavelength edge was constant within experimental error. Band structure calculations incorporating the temperature dependence of the liquid crystal birefringence can account for our results and also point to an escaped-radial alignment of the liquid crystal in the nematic phase.

Charmed tetraquarks Tcc and Tcs from dynamical lattice QCD simulations

NASA Astrophysics Data System (ADS)

Ikeda, Yoichi; Charron, Bruno; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko; Nemura, Hidekatsu; Sasaki, Kenji

2014-02-01

Charmed tetraquarks Tcc=(ccubardbar) and Tcs=(csubardbar) are studied through the S-wave meson-meson interactions, D-D, Kbar-D, D-D* and Kbar-D*, on the basis of the (2+1)-flavor lattice QCD simulations with the pion mass mπ≃410, 570 and 700 MeV. For the charm quark, the relativistic heavy quark action is employed to treat its dynamics on the lattice. Using the HAL QCD method, we extract the S-wave potentials in lattice QCD simulations, from which the meson-meson scattering phase shifts are calculated. The phase shifts in the isospin triplet (I=1) channels indicate repulsive interactions, while those in the I=0 channels suggest attraction, growing as mπ decreases. This is particularly prominent in the Tcc (JP=1+,I=0) channel, though neither bound state nor resonance are found in the range mπ=410-700 MeV. We make a qualitative comparison of our results with the phenomenological diquark picture.

Phase retrieval from the phase-shift moiré fringe patterns in simultaneous dual-wavelength interferometry

NASA Astrophysics Data System (ADS)

Cheng, Jinlong; Gao, Zhishan; Bie, Shuyou; Dou, Yimeng; Ni, Ruihu; Yuan, Qun

2018-02-01

Simultaneous dual-wavelength interferometry (SDWI) could extend the measured range of each single-wavelength interferometry. The moiré fringe generated in SDWI indirectly represents the information of the measured long synthetic-wavelength ({λ }{{S}}) phase, thus the phase demodulation is rather arduous. To address this issue, we present a method to convert the moiré fringe pattern into a synthetic-wavelength interferogram (moiré to synthetic-wavelength, MTS). After the square of the moiré fringe pattern in the MTS method, the additive moiré pattern is turned into a multiplicative one. And the synthetic-wavelength interferogram could be obtained by a low-pass filtering in spectrum of the multiplicative moiré fringe pattern. Therefore, when the dual-wavelength interferometer is implemented with the π/2 phase shift at {λ }{{S}}, a sequence of synthetic-wavelength phase-shift interferograms with π/2 phase shift could be obtained after the MTS method processing on the captured moiré fringe patterns. And then the synthetic-wavelength phase could be retrieved by the conventional phase-shift algorithm. Compared with other methods in SDWI, the proposed MTS approach could reduce the restriction of the phase shift and frame numbers for the adoption of the conventional phase-shift algorithm. Following, numerical simulations are executed to evaluate the performance of the MTS method in processing time, frames of interferograms and the phase shift error compensation. And the necessary linear carrier for MTS method is less than 0.11 times of the traditional dual-wavelength spatial-domain Fourier transform method. Finally, the deviations for MTS method in experiment are 0.97% for a step with the height of 7.8 μm and 1.11% for a Fresnel lens with the step height of 6.2328 μm.

Real-time vibration measurement by a spatial phase-shifting technique with a tilted holographic interferogram.

PubMed

Nakadate, S; Isshiki, M

1997-01-01

Real-time vibration measurement by a tilted holographic interferogram is presented that utilizes the real-time digital fringe processor of a video signal. Three intensity data sampled at every one-third of the fringe spacing of the tilted fringes are used to calculate the modulation term of the fringe that is a function of a vibration amplitude. A three-dimensional lookup table performs the calculation in a TV repetition rate to give a new fringe profile that contours the vibration amplitude. Vibration modes at the resonant frequencies of a flat speaker were displayed on a monitor as changing the exciting frequency of vibration.

Conserving and gapless Hartree-Fock-Bogoliubov theory for the three-dimensional dilute Bose gas

NASA Astrophysics Data System (ADS)

Zhang, Ya-Hui; Li, Dingping

2013-11-01

The excitation spectrum for the three-dimensional Bose gas in the Bose-Einstein condensation phase is calculated nonperturbatively with the modified Hartree-Fock-Bogoliubov theory, which is both conserving and gapless. From improved Φ-derivable theory, the diagrams needed to preserve the Ward-Takahashi identity are re-summed in a systematic and nonperturbative way. It is valid up to the critical temperature where the dispersion relation of the low-energy excitation spectrum changes from linear to quadratic. Because including the higher-order fluctuation, the results show significant improvement on the calculation of the shift of critical temperature with other conserving and gapless theories.

In-line digital holography with phase-shifting Greek-ladder sieves

NASA Astrophysics Data System (ADS)

Xie, Jing; Zhang, Junyong; Zhang, Yanli; Zhou, Shenlei; Zhu, Jianqiang

2018-04-01

Phase shifting is the key technique in in-line digital holography, but traditional phase shifters have their own limitations in short wavelength regions. Here, phase-shifting Greek-ladder sieves with amplitude-only modulation are introduced into in-line digital holography, which are essentially a kind of diffraction lens with three-dimensional array diffraction-limited foci. In the in-line digital holographic experiment, we design two kinds of sieves by lithography and verify the validity of their phase-shifting function by measuring a 1951 U.S. Air Force resolution test target and three-dimensional array foci. With advantages of high resolving power, low cost, and no limitations at shorter wavelengths, phase-shifting Greek-ladder sieves have great potential in X-ray holography or biochemical microscopy for the next generation of synchrotron light sources.

Impact of 5-h phase advance on sleep architecture and physical performance in athletes.

PubMed

Petit, Elisabeth; Mougin, Fabienne; Bourdin, Hubert; Tio, Grégory; Haffen, Emmanuel

2014-11-01

Travel across time zones causes jet lag and is accompanied by deleterious effects on sleep and performance in athletes. These poor performances have been evaluated in field studies but not in laboratory conditions. The purpose of this study was to evaluate, in athletes, the impact of 5-h phase advance on the architecture of sleep and physical performances (Wingate test). In a sleep laboratory, 16 male athletes (age: 22.2 ± 1.7 years, height: 178.3 ± 5.6 cm, body mass: 73.6 ± 7.9 kg) spent 1 night in baseline condition and 2 nights, 1 week apart, in phase shift condition recorded by electroencephalography to calculate sleep architecture variables. For these last 2 nights, the clock was advanced by 5 h. Core body temperature rhythm was assessed continuously. The first night with phase advance decreased total sleep time, sleep efficiency, sleep onset latency, stage 2 of nonrapid eye movement (N2), and rapid eye movement (REM) sleep compared with baseline condition, whereas the second night decreased N2 and increased slow-wave sleep and REM, thus improving the quality of sleep. After phase advance, mean power improved, which resulted in higher lactatemia. Acrophase and bathyphase of temperature occurred earlier and amplitude decreased in phase advance but the period was not modified. These results suggest that a simulated phase shift contributed to the changes in sleep architecture, but did not significantly impair physical performances in relation with early phase adjustment of temperature to the new local time.

The effects of an ion-thruster exhaust plume on S-band carrier transmission

NASA Technical Reports Server (NTRS)

Ackerknecht, W. E.; Stanton, P. H.

1976-01-01

The study reported here was undertaken (1) to develop models of the effects of an ion-thruster exhaust plume on S-band signals, and (2) to measure the effects. The results show that an S-band signal passing through an ion-thruster plume is reduced in amplitude and advanced in phase. The mathematical models gave reasonable estimates of the average signal attenuation and phase shift. Negligible fluctuations in the signal amplitude and phase were measured during steady-state thruster operation. However, large jumps in phase occurred when changes were made in the thruster operating state. This study confirms that the thruster plume can have a significant effect on S-band communication link performance; hence the plume effects must be considered in S-band link calculations when electric thrusters are used for spacecraft propulsion.

Dual tree fractional quaternion wavelet transform for disparity estimation.

PubMed

Kumar, Sanoj; Kumar, Sanjeev; Sukavanam, Nagarajan; Raman, Balasubramanian

2014-03-01

This paper proposes a novel phase based approach for computing disparity as the optical flow from the given pair of consecutive images. A new dual tree fractional quaternion wavelet transform (FrQWT) is proposed by defining the 2D Fourier spectrum upto a single quadrant. In the proposed FrQWT, each quaternion wavelet consists of a real part (a real DWT wavelet) and three imaginary parts that are organized according to the quaternion algebra. First two FrQWT phases encode the shifts of image features in the absolute horizontal and vertical coordinate system, while the third phase has the texture information. The FrQWT allowed a multi-scale framework for calculating and adjusting local disparities and executing phase unwrapping from coarse to fine scales with linear computational efficiency. Copyright © 2013 ISA. Published by Elsevier Ltd. All rights reserved.

Studies on Single-phase and Multi-phase Heat Pipe for LED Panel for Efficient Heat Dissipation

NASA Astrophysics Data System (ADS)

Vyshnave, K. C.; Rohit, G.; Maithreya, D. V. N. S.; Rakesh, S. G.

2017-08-01

The popularity of LED panel as a source of illumination has soared recently due to its high efficiency. However, the removal of heat that is produced in the chip is still a major challenge in its design since this has an adverse effect on its reliability. If high junction temperature develops, the colour of the emitted light may diminish over prolonged usage or even a colour shift may occur. In this paper, a solution has been developed to address this problem by using a combination of heat pipe and heat fin technology. A single-phase and a two-phase heat pipes have been designed theoretically and computational simulations carried out using ANSYS FLUENT. The results of the theoretical calculations and those obtained from the simulations are found to be in agreement with each other.

Electrostatic frequency maps for amide-I mode of β-peptide: Comparison of molecular mechanics force field and DFT calculations.

PubMed

Cai, Kaicong; Zheng, Xuan; Du, Fenfen

2017-08-05

The spectroscopy of amide-I vibrations has been widely utilized for the understanding of dynamical structure of polypeptides. For the modeling of amide-I spectra, two frequency maps were built for β-peptide analogue (N-ethylpropionamide, NEPA) in a number of solvents within different schemes (molecular mechanics force field based, GM map; DFT calculation based, GD map), respectively. The electrostatic potentials on the amide unit that originated from solvents and peptide backbone were correlated to the amide-I frequency shift from gas phase to solution phase during map parameterization. GM map is easier to construct with negligible computational cost since the frequency calculations for the samples are purely based on force field, while GD map utilizes sophisticated DFT calculations on the representative solute-solvent clusters and brings insight into the electronic structures of solvated NEPA and its chemical environments. The results show that the maps' predicted amide-I frequencies present solvation environmental sensitivities and exhibit their specific characters with respect to the map protocols, and the obtained vibrational parameters are in satisfactory agreement with experimental amide-I spectra of NEPA in solution phase. Although different theoretical schemes based maps have their advantages and disadvantages, the present maps show their potentials in interpreting the amide-I spectra for β-peptides, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

Phase correction, phase resetting, and phase shifts after subliminal timing perturbations in sensorimotor synchronization.

PubMed

Repp, B H

2001-06-01

Recent studies of synchronized finger tapping have shown that perceptually subliminal phase shifts in an auditory sequence are rapidly compensated for in the motor activity (B. H. Repp, 2000a). Experiment 1 used a continuation-tapping task to confirm that this compensation is indeed a phase correction, not an adjustment of the central timekeeper period. Experiments 2-5 revealed that this phase correction occurs even when there is no ordinary sensorimotor asynchrony--when the finger taps are in antiphase or arbitrary phase relative to the auditory sequence (Experiments 2 and 3) or when the tap coinciding with the sequence phase shift is withheld (Experiments 4 and 5). The phase correction observed in the latter conditions was instantaneous, which suggests that phase resetting occurs when the motor activity is discontinuous. A prolonged phase shift suggestive of overcompensation was observed in some conditions, which poses a challenge to pure phase correction models.

Phase-Shift Interferometry with a Digital Photocamera

ERIC Educational Resources Information Center

Vannoni, Maurizio; Trivi, Marcelo; Molesini, Giuseppe

2007-01-01

A phase-shift interferometry experiment is proposed, working on a Twyman-Green optical configuration with additional polarization components. A guideline is provided to modern phase-shift interferometry, using concepts and laboratory equipment at the level of undergraduate optics courses. (Contains 5 figures.)

Improved detection sensitivity of D-mannitol crystalline phase content using differential spectral phase shift terahertz spectroscopy measurements.

PubMed

Allard, Jean-François; Cornet, Alain; Debacq, Christophe; Meurens, Marc; Houde, Daniel; Morris, Denis

2011-02-28

We report quantitative measurement of the relative proportion of δ- and β-D-mannitol crystalline phases inserted into polyethylene powder pellets, obtained by time-domain terahertz spectroscopy. Nine absorption bands have been identified from 0.2 THz to 2.2 THz. The best quantification of the δ-phase proportion is made using the 1.01 THz absorption band. Coherent detection allows using the spectral phase shift of the transmitted THz waveform to improve the detection sensitivity of the relative δ-phase proportion. We argue that differential phase shift measurements are less sensitive to samples' defects. Using a linear phase shift compensation for pellets of slightly different thicknesses, we were able to distinguish a 0.5% variation in δ-phase proportion.

Doppler radar with multiphase modulation of transmitted and reflected signal

NASA Technical Reports Server (NTRS)

Shores, Paul W. (Inventor); Griffin, John W. (Inventor); Kobayashi, Herbert S. (Inventor)

1989-01-01

A microwave radar signal is generated and split by a circulator. A phase shifter introduces a series of phase shifts into a first part of the split signal which is then transmitted by antenna. A like number of phase shifts is introduced by the phase shifter into the return signal from the target. The circulator delivers the phase shifted return signal and the leakage signal from the circulator to a mixer which generates an IF signal output at the Doppler frequency. The IF signal is amplified, filtered, counted per unit of time, and the result displayed to provide indications of target sense and range rate. An oscillator controls rate of phase shift in the transmitted and received radar signals and provides a time base for the counter. The phase shift magnitude increases may be continuous and linear or discrete functions of time.

Blue and red shifted temperature dependence of implicit phonon shifts in graphene

NASA Astrophysics Data System (ADS)

Mann, Sarita; Jindal, V. K.

2017-07-01

We have calculated the implicit shift for various modes of frequency in a pure graphene sheet. Thermal expansion and Grüneisen parameter which are required for implicit shift calculation have already been studied and reported. For this calculation, phonon frequencies are obtained using force constants derived from dynamical matrix calculated using VASP code where the density functional perturbation theory (DFPT) is used in interface with phonopy software. The implicit phonon shift shows an unusual behavior as compared to the bulk materials. The frequency shift is large negative (red shift) for ZA and ZO modes and the value of negative shift increases with increase in temperature. On the other hand, blue shift arises for all other longitudinal and transverse modes with a similar trend of increase with increase in temperature. The q dependence of phonon shifts has also been studied. Such simultaneous red and blue shifts in transverse or out plane modes and surface modes, respectively leads to speculation of surface softening in out of plane direction in preference to surface melting.

Circadian rhythm phase shifts and endogenous free-running circadian period differ between African-Americans and European-Americans.

PubMed

Eastman, Charmane I; Suh, Christina; Tomaka, Victoria A; Crowley, Stephanie J

2015-02-11

Successful adaptation to modern civilization requires the internal circadian clock to make large phase shifts in response to circumstances (e.g., jet travel and shift work) that were not encountered during most of our evolution. We found that the magnitude and direction of the circadian clock's phase shift after the light/dark and sleep/wake/meal schedule was phase-advanced (made earlier) by 9 hours differed in European-Americans compared to African-Americans. European-Americans had larger phase shifts, but were more likely to phase-delay after the 9-hour advance (to phase shift in the wrong direction). The magnitude and direction of the phase shift was related to the free-running circadian period, and European-Americans had a longer circadian period than African-Americans. Circadian period was related to the percent Sub-Saharan African and European ancestry from DNA samples. We speculate that a short circadian period was advantageous during our evolution in Africa and lengthened with northern migrations out of Africa. The differences in circadian rhythms remaining today are relevant for understanding and treating the modern circadian-rhythm-based disorders which are due to a misalignment between the internal circadian rhythms and the times for sleep, work, school and meals.

Asymptotic normalization coefficients of resonant and bound states from the phase shifts for α α and α 12C scattering

NASA Astrophysics Data System (ADS)

Orlov, Yu. V.; Irgaziev, B. F.; Nikitina, L. I.

2016-01-01

Recently we have published a paper [Irgaziev, Phys. Rev. C 91, 024002 (2015), 10.1103/PhysRevC.91.024002] where the S -matrix pole method (SMP), which is only valid for resonances, has been developed to derive an explicit expression for the asymptotic normalization coefficient (ANC) and is applied to the low-energy resonant states of nucleon +α and α +12C systems. The SMP results are compared with the effective-range expansion method (EFE) results. In the present paper the SMP and EFE plus the Padé approximation are applied to study the excited 2+ resonant states of 9Be. A contradiction is found between descriptions of the experimental phase shift data for α α scattering and of the 9Be resonant energy for 2+ state. Using the EFE method, we also calculate the ANC for the 9Be ground 0+ state with a very small width. This ANC agrees well with the value calculated using the known analytical expression for narrow resonances. In addition, for the α +12C states 1- and 3- the SMP results are compared with the Padé approximation results. We find that the Padé approximation improves a resonance width description compared with the EFE results. The EFE method is also used to calculate the ANCs for the bound 0mml:mprescripts>O ground 0+ state and for the excited 1- and 2+ levels, which are situated near the threshold of α +12C channel.

Low Charge States of Si and S: from Cygnus X-1 to the Lab and Back

NASA Astrophysics Data System (ADS)

Hell, Natalie; Miškovičova, I.; Hanke, M.; Brown, G. V.; Wilms, J.; Clementson, J.; Beiersdorfer, P.; Liedahl, D. A.; Pottschmidt, K.; Porter, F.; Kilbourne, C.; Kelley, R. L.; Nowak, M.; Schulz, N. S.

2013-04-01

The X-ray light curves of the high mass X-ray binary (HMXB) Cygnus X-1 are shaped by strong, relatively short, absorption dips. While spectra extracted from the dip free phases are dominated by absorption lines of the Rydberg series of H- and He-like ions, 1s-2p transitions of lower ionized Si and S appear in the dip spectra. This shift in charge balance suggests that we probe “clumps” of cold material embedded in the companion's stellar wind as they cross our line of sight. Determining the bulk motion of these clumps by measuring the Doppler shifts of these lines as a function of dipping strength and ionization state can confirm this theory. Unfortunately, the predicted uncertainty for theoretical calculations - if available at all - is of the order of the expected shifts in the system. To overcome this lack of reliable reference wavelengths, we measured the Kα spectra of H- through F-like Si and S with the EBIT Calorimeter Spectrometer (ECS) and the Lawrence Livermore National Laboratory electron beam ion trap EBIT-I. We then directly apply these new line centers to calculate the Doppler shifts of the lines observed in Cygnus X-1. With this approach, we find shifts consistent with constant velocity of the absorber throughout all ionization states and, hence, provide evidence for an onion-like ion structure of the clumps. Funded by BMWi under DLR grant 50OR1207. Work at LLNL was performed under the auspices of DOE under contract DE-AC52-07NA27344 and supported by NASA grants.

Absorption and luminescence spectroscopy of mass-selected flavin adenine dinucleotide mono-anions

NASA Astrophysics Data System (ADS)

Giacomozzi, L.; Kjær, C.; Langeland Knudsen, J.; Andersen, L. H.; Brøndsted Nielsen, S.; Stockett, M. H.

2018-06-01

We report the absorption profile of isolated Flavin Adenine Dinucleotide (FAD) mono-anions recorded using photo-induced dissociation action spectroscopy. In this charge state, one of the phosphoric acid groups is deprotonated and the chromophore itself is in its neutral oxidized state. These measurements cover the first four optical transitions of FAD with excitation energies from 2.3 to 6.0 eV (210-550 nm). The S0 → S2 transition is strongly blue shifted relative to aqueous solution, supporting the view that this transition has a significant charge-transfer character. The remaining bands are close to their solution-phase positions. This confirms that the large discrepancy between quantum chemical calculations of vertical transition energies and solution-phase band maxima cannot be explained by solvent effects. We also report the luminescence spectrum of FAD mono-anions in vacuo. The gas-phase Stokes shift for S1 is 3000 cm-1, which is considerably larger than any previously reported for other molecular ions and consistent with a significant displacement of the ground and excited state potential energy surfaces. Consideration of the vibronic structure is thus essential for simulating the absorption and luminescence spectra of flavins.

Resolving Confined 7Li Dynamics of Uranyl Peroxide Capsule U 24

DOE PAGES

Xie, Jing; Neal, Harrison A.; Szymanowski, Jennifer; ...

2018-04-18

Here, we obtained a kerosene-soluble form of the lithium salt [UO 2(O 2)(OH) 2] 24 phase (Li-U 24), by adding cetyltrimethylammonium bromide surfactant to aqueous Li-U 24. Interestingly, its variable-temperature solution 7Li NMR spectroscopy resolves two narrowly spaced resonances down to –10 °C, which shift upfield with increasing temperature, and finally coalesce at temperatures > 85 °C. Comparison with solid-state NMR demonstrates that the Li dynamics in the Li-U 24-CTA phase involves only exchange between different local encapsulated environments. This behavior is distinct from the rapid Li exchange dynamics observed between encapsulated and external Li environments for Li-U 24 inmore » both the aqueous and the solid-state phases. Density functional theory calculations suggest that the two experimental 7Li NMR chemical shifts are due to Li cations coordinated within the square and hexagonal faces of the U 24 cage, and they can undergo exchange within the confined environment, as the solution is heated. Very different than U 24 in aqueous media, there is no evidence that the Li cations exit the cage, and therefore, this represents a truly confined space.« less

Resolving Confined 7Li Dynamics of Uranyl Peroxide Capsule U 24

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

Xie, Jing; Neal, Harrison A.; Szymanowski, Jennifer

Here, we obtained a kerosene-soluble form of the lithium salt [UO 2(O 2)(OH) 2] 24 phase (Li-U 24), by adding cetyltrimethylammonium bromide surfactant to aqueous Li-U 24. Interestingly, its variable-temperature solution 7Li NMR spectroscopy resolves two narrowly spaced resonances down to –10 °C, which shift upfield with increasing temperature, and finally coalesce at temperatures > 85 °C. Comparison with solid-state NMR demonstrates that the Li dynamics in the Li-U 24-CTA phase involves only exchange between different local encapsulated environments. This behavior is distinct from the rapid Li exchange dynamics observed between encapsulated and external Li environments for Li-U 24 inmore » both the aqueous and the solid-state phases. Density functional theory calculations suggest that the two experimental 7Li NMR chemical shifts are due to Li cations coordinated within the square and hexagonal faces of the U 24 cage, and they can undergo exchange within the confined environment, as the solution is heated. Very different than U 24 in aqueous media, there is no evidence that the Li cations exit the cage, and therefore, this represents a truly confined space.« less

Vibrational, NMR and UV-visible spectroscopic investigation and NLO studies on benzaldehyde thiosemicarbazone using computational calculations

NASA Astrophysics Data System (ADS)

Moorthy, N.; Prabakar, P. C. Jobe; Ramalingam, S.; Pandian, G. V.; Anbusrinivasan, P.

2016-04-01

In order to investigate the vibrational, electronic and NLO characteristics of the compound; benzaldehyde thiosemicarbazone (BTSC), the XRD, FT-IR, FT-Raman, NMR and UV-visible spectra were recorded and were analysed with the calculated spectra by using HF and B3LYP methods with 6-311++G(d,p) basis set. The XRD results revealed that the stabilized molecular systems were confined in orthorhombic unit cell system. The cause for the change of chemical and physical properties behind the compound has been discussed makes use of Mulliken charge levels and NBO in detail. The shift of molecular vibrational pattern by the fusing of ligand; thiosemicarbazone group with benzaldehyde has been keenly observed. The occurrence of in phase and out of phase molecular interaction over the frontier molecular orbitals was determined to evaluate the degeneracy of the electronic energy levels. The thermodynamical studies of the temperature region 100-1000 K to detect the thermal stabilization of the crystal phase of the compound were investigated. The NLO properties were evaluated by the determination of the polarizability and hyperpolarizability of the compound in crystal phase. The physical stabilization of the geometry of the compound has been explained by geometry deformation analysis.

Volume moiré tomography based on projection extraction by spatial phase shifting of double crossed gratings

NASA Astrophysics Data System (ADS)

Wang, Jia; Guo, Zhenyan; Song, Yang; Han, Jun

2018-01-01

To realize volume moiré tomography (VMT) for the real three-dimensional (3D) diagnosis of combustion fields, according to 3D filtered back projection (FBP) reconstruction algorithm, the radial derivatives of the projected phase should be measured firstly. In this paper, a simple spatial phase-shifting moiré deflectometry with double cross gratings is presented to measure the radial first-order derivative of the projected phase. Based on scalar diffraction theory, the explicit analytical intensity distributions of moiré patterns on different diffracted orders are derived, and the spatial shifting characteristics are analyzed. The results indicate that the first-order derivatives of the projected phase in two mutually perpendicular directions are involved in moiré patterns, which can be combined to compute the radial first-order derivative. And multiple spatial phase-shifted moiré patterns can be simultaneously obtained; the phase-shifted values are determined by the parameters of the system. A four-step phase-shifting algorithm is proposed for phase extraction, and its accuracy is proved by numerical simulations. Finally, the moiré deflectometry is used to measure the radial first-order derivative of projected phase of a propane flame with plane incident wave, and the 3D temperature distribution is reconstructed.

Nonadiabatic conditional geometric phase shift with NMR.

PubMed

Xiang-Bin, W; Keiji, M

2001-08-27

A conditional geometric phase shift gate, which is fault tolerant to certain types of errors due to its geometric nature, was realized recently via nuclear magnetic resonance (NMR) under adiabatic conditions. However, in quantum computation, everything must be completed within the decoherence time. The adiabatic condition makes any fast conditional Berry phase (cyclic adiabatic geometric phase) shift gate impossible. Here we show that by using a newly designed sequence of simple operations with an additional vertical magnetic field, the conditional geometric phase shift gate can be run nonadiabatically. Therefore geometric quantum computation can be done at the same rate as usual quantum computation.

A POSITIONAL DATA SYSTEM

DOEpatents

Forster, G.A.

1963-09-24

between master and slave synchros is described. A threephase a-c power source is connected to the stators of the synchros and an error detector is connected to the rotors of the synchros to measure the phasor difference therebetween. A phase shift network shifts the phase of one of the rotors 90 degrees and a demodulator responsive thereto causes the phasor difference signal of the rotors to shift phase 180 degrees whenever the 90 degree phase shifted signal goes negative. The phase shifted difference signal has a waveform which, with the addition of small values of resistance and capacitance, gives a substantially pure d-c output whose amplitude and polarity is proportional to the magnitude and direction of the difference in the angular positions of the synchro's rotors. (AEC)

Multiwavelength digital holography with wavelength-multiplexed holograms and arbitrary symmetric phase shifts.

PubMed

Tahara, Tatsuki; Otani, Reo; Omae, Kaito; Gotohda, Takuya; Arai, Yasuhiko; Takaki, Yasuhiro

2017-05-15

We propose multiwavelength in-line digital holography with wavelength-multiplexed phase-shifted holograms and arbitrary symmetric phase shifts. We use phase-shifting interferometry selectively extracting wavelength information to reconstruct multiwavelength object waves separately from wavelength-multiplexed monochromatic images. The proposed technique obtains systems of equations for real and imaginary parts of multiwavelength object waves from the holograms by introducing arbitrary symmetric phase shifts. Then, the technique derives each complex amplitude distribution of each object wave selectively and analytically by solving the two systems of equations. We formulate the algorithm in the case of an arbitrary number of wavelengths and confirm its validity numerically and experimentally in the cases where the number of wavelengths is two and three.

Comparison of experimental and DFT-calculated NMR chemical shifts of 2-amino and 2-hydroxyl substituted phenyl benzimidazoles, benzoxazoles and benzothiazoles in four solvents using the IEF-PCM solvation model.

PubMed

Pierens, Gregory K; Venkatachalam, T K; Reutens, David C

2016-04-01

A comparative study of experimental and calculated NMR chemical shifts of six compounds comprising 2-amino and 2-hydroxy phenyl benzoxazoles/benzothiazoles/benzimidazoles in four solvents is reported. The benzimidazoles showed interesting spectral characteristics, which are discussed. The proton and carbon chemical shifts were similar for all solvents. The largest chemical shift deviations were observed in benzene. The chemical shifts were calculated with density functional theory using a suite of four functionals and basis set combinations. The calculated chemical shifts revealed a good match to the experimentally observed values in most of the solvents. The mean absolute error was used as the primary metric. The use of an additional metric is suggested, which is based on the order of chemical shifts. The DP4 probability measures were also used to compare the experimental and calculated chemical shifts for each compound in the four solvents. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

RF power recovery feedback circulator

DOEpatents

Sharamentov, Sergey I [Bolingbrook, IL

2011-03-29

A device and method for improving the efficiency of RF systems having a Reflective Load. In the preferred embodiment, Reflected Energy from a superconducting resonator of a particle accelerator is reintroduced to the resonator after the phase of the Reflected Energy is aligned with the phase of the Supply Energy from a RF Energy Source. In one embodiment, a Circulator is used to transfer Reflected Energy from the Reflective Load into a Phase Adjuster which aligns the phase of the Reflected Energy with that of the Supply Energy. The phase-aligned energy is then combined with the Supply Energy, and reintroduced into the Reflective Load. In systems having a constant phase shift, the Phase Adjuster may be designed to shift the phase of the Reflected Energy by a constant amount using a Phase Shifter. In systems having a variety (variable) phase shifts, a Phase Shifter controlled by a phase feedback loop comprising a Phase Detector and a Feedback Controller to account for the various phase shifts is preferable.

Spatio-temporal phase retrieval in speckle interferometry with Hilbert transform and two-dimensional phase unwrapping

NASA Astrophysics Data System (ADS)

Li, Xiangyu; Huang, Zhanhua; Zhu, Meng; He, Jin; Zhang, Hao

2014-12-01

Hilbert transform (HT) is widely used in temporal speckle pattern interferometry, but errors from low modulations might propagate and corrupt the calculated phase. A spatio-temporal method for phase retrieval using temporal HT and spatial phase unwrapping is presented. In time domain, the wrapped phase difference between the initial and current states is directly determined by using HT. To avoid the influence of the low modulation intensity, the phase information between the two states is ignored. As a result, the phase unwrapping is shifted from time domain to space domain. A phase unwrapping algorithm based on discrete cosine transform is adopted by taking advantage of the information in adjacent pixels. An experiment is carried out with a Michelson-type interferometer to study the out-of-plane deformation field. High quality whole-field phase distribution maps with different fringe densities are obtained. Under the experimental conditions, the maximum number of fringes resolvable in a 416×416 frame is 30, which indicates a 15λ deformation along the direction of loading.

One-shot phase-shifting phase-grating interferometry with modulation of polarization: case of four interferograms.

PubMed

Rodriguez-Zurita, Gustavo; Meneses-Fabian, Cruz; Toto-Arellano, Noel-Ivan; Vázquez-Castillo, José F; Robledo-Sánchez, Carlos

2008-05-26

An experimental setup for optical phase extraction from 2-D interferograms using a one-shot phase-shifting technique able to achieve four interferograms with 90 degrees phase shifts in between is presented. The system uses a common-path interferometer consisting of two windows in the input plane and a phase grating in Fourier plane as its pupil. Each window has a birefringent wave plate attached in order to achieve nearly circular polarization of opposite rotations one respect to the other after being illuminated with a 45 degrees linear polarized beam. In the output, interference of the fields associated with replicated windows (diffraction orders) is achieved by a proper choice of the windows spacing with respect to the grating period. The phase shifts to achieve four interferograms simultaneously to perform phase-shifting interferometry can be obtained by placing linear polarizers on each diffraction orders before detection at an appropriate angle. Some experimental results are shown.

Femtosecond-pulse inscription of fiber Bragg gratings with single or multiple phase-shifts in the structure

NASA Astrophysics Data System (ADS)

Wolf, Alexey; Dostovalov, Alexandr; Skvortsov, Mikhail; Raspopin, Kirill; Parygin, Alexandr; Babin, Sergey

2018-05-01

In this work, long high-quality fiber Bragg gratings with phase shifts in the structure are inscribed directly in the optical fiber by point-by-point technique using femtosecond laser pulses. Phase shifts are introduced during the inscription process with a piezoelectric actuator, which rapidly shifts the fiber along the direction of its movement in a chosen point of the grating with a chosen shift value. As examples, single and double π phase shifts are introduced in fiber Bragg gratings with a length up to 34 mm in passive fibers, which provide corresponding transmission peaks with bandwidth less than 1 pm. It is shown that 37 mm π -phase-shifted grating inscribed in an active Er-doped fiber forms high-quality DFB laser cavity generating single-frequency radiation at 1550 nm with bandwidth of 20 kHz and signal-to-noise ratio of >70 dB. The inscription technique has a high degree of performance and flexibility and can be easily implemented in fibers of various types.

Resynchronization of circadian sleep-wake and temperature cycles in the squirrel monkey following phase shifts of the environmental light-dark cycle

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

Wexler, D.B.; Moore-ede, M.C.

1986-12-01

Circadian rhythms in physiological and behavioral functions gradually resynchronize after phase shifts in environmental time cues. In order to characterize the rate of circadian resynchronization in a diurnal primate model, the temperature, locomotor activity, and polygraphically determined sleep-wake states were monitored in squirrel monkeys before and after 8-h phase shifts of an environmental light-dark cycle of 12 h light and 12 h dark (LD 12:12). For the temperature rhythm, resynchronization took 4 d after phase delay shift and 5 d after phase advance shift; for the rest-activity cycle, resynchronization times were 3 d and 6 d, respectively. The activity acrophasemore » shifted more rapidly than the temperature acrophase early in the post-delay shift interval, but this internal desynchronization between rhythms disappeared during the course of resynchronization. Further study of the early resynchronization process requires emphasis on identifying evoked effects and measuring circadian pacemaker function. 13 references.« less

Resynchronization of circadian sleep-wake and temperature cycles in the squirrel monkey following phase shifts of the environmental light-dark cycle

NASA Technical Reports Server (NTRS)

Wexler, D. B.; Moore-Ede, M. C.

1986-01-01

Circadian rhythms in physiological and behavioral functions gradually resynchronize after phase shifts in environmental time cues. In order to characterize the rate of circadian resynchronization in a diurnal primate model, the temperature, locomotor activity, and polygraphically determined sleep-wake states were monitored in squirrel monkeys before and after 8-h phase shifts of an environmental light-dark cycle of 12 h light and 12 h dark (LD 12:12). For the temperature rhythm, resynchronization took 4 d after phase delay shift and 5 d after phase advance shift; for the rest-activity cycle, resynchronization times were 3 d and 6 d, respectively. The activity acrophase shifted more rapidly than the temperature acrophase early in the post-delay shift interval, but this internal desynchronization between rhythms disappeared during the course of resynchronization. Further study of the early resynchronization process requires emphasis on identifying evoked effects and measuring circadian pacemaker function.

Characterization of un-irradiated MIMAS MOX fuel by Raman spectroscopy and EPMA

NASA Astrophysics Data System (ADS)

Talip, Zeynep; Peuget, Sylvain; Magnin, Magali; Tribet, Magaly; Valot, Christophe; Vauchy, Romain; Jégou, Christophe

2018-02-01

In this study, Raman spectroscopy technique was implemented to characterize un-irradiated MIMAS (MIcronized - MASter blend) MOX fuel samples with average 7 wt.% Pu content and different damage levels, 13 years after fabrication, one year after thermal recovery and soon after annealing, respectively. The impacts of local Pu content, deviation from stoichiometry and self-radiation damage on Raman spectrum of the studied MIMAS MOX samples were assessed. MIMAS MOX fuel has three different phases Pu-rich agglomerate, coating phase and uranium matrix. In order to distinguish these phases, Raman results were associated with Pu content measurements performed by Electron Microprobe Analysis. Raman results show that T2g frequency significantly shifts from 445 to 453 cm-1 for Pu contents increasing from 0.2 to 25 wt.%. These data are satisfactorily consistent with the calculations obtained with Gruneisen parameters. It was concluded that the position of the T2g band is mainly controlled by Pu content and self-radiation damage. Deviation from stoichiometry does not have a significant influence on T2g band position. Self-radiation damage leads to a shift of T2g band towards lower frequency (∼1-2 cm-1 for the UO2 matrix of damaged sample). However, this shift is difficult to quantify for the coating phase and Pu agglomerates given the dispersion of high Pu concentrations. In addition, 525 cm-1 band, which was attributed to sub-stoichiometric structural defects, is presented for the first time for the self-radiation damaged MOX sample. Thanks to the different oxidation resistance of each phase, it was shown that laser induced oxidation could be alternatively used to identify the phases. It is demonstrated that micro-Raman spectroscopy is an efficient technique for the characterization of heterogeneous MOX samples, due to its low spatial resolution.

Hemiparetic stepping to the beat: asymmetric response to metronome phase shift during treadmill gait.

PubMed

Pelton, Trudy A; Johannsen, Leif; Huiya Chen; Wing, Alan M

2010-06-01

Walking in time with a metronome is associated with improved spatiotemporal parameters in hemiparetic gait; however, the mechanism linking auditory and motor systems is poorly understood. Hemiparetic cadence control with metronome synchronization was examined to determine specific influences of metronome timing on treadmill walking. A within-participant experiment examined correction processes used to maintain heel strike synchrony with the beat by applying perturbations to the timing of a metronome. Eight chronic hemiparetic participants (mean age = 70 years; standard deviation = 12) were required to synchronize heel strikes with metronome pulses set according to each individual's comfortable speed (mean 0.4 m/s). During five 100-pulse trials, a fixed-phase baseline was followed by 4 unpredictable metronome phase shifts (20% of the interpulse interval), which amounted to 10 phase shifts on each foot. Infrared cameras recorded the motion of bilateral heel markers at 120 Hz. Relative asynchrony between heel strike responses and metronome pulses was used to index compensation for metronome phase shifts. Participants demonstrated compensation for phase shifts with convergence back to pre-phase shift asynchrony. This was significantly slower when the error occurred on the nonparetic side (requiring initial correction with the paretic limb) compared with when the error occurred on the paretic side (requiring initial nonparetic correction). Although phase correction of gait is slowed when the phase shift is delivered to the nonparetic side compared with the paretic side, phase correction is still present. This may underlie the utility of rhythmic auditory cueing in hemiparetic gait rehabilitation.

Achromatic registration of quadrature components of the optical spectrum in spectral domain optical coherence tomography

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

Shilyagin, P A; Gelikonov, G V; Gelikonov, V M

2014-07-31

We have thoroughly investigated the method of simultaneous reception of spectral components with the achromatised quadrature phase shift between two portions of a reference wave, designed for the effective suppression of the 'mirror' artefact in the resulting image obtained by means of spectral domain optical coherence tomography (SD OCT). We have developed and experimentally tested a phase-shifting element consisting of a beam divider, which splits the reference optical beam into the two beams, and of delay lines being individual for each beam, which create a mutual phase difference of π/2 in the double pass of the reference beam. The phasemore » shift achromatism over a wide spectral range is achieved by using in the delay lines the individual elements with different dispersion characteristics. The ranges of admissible adjustment parameters of the achromatised delay line are estimated for exact and inexact conformity of the geometric characteristics of its components to those calculated. A possibility of simultaneous recording of the close-to-quadrature spectral components with a single linear photodetector element is experimentally confirmed. The suppression of the artefact mirror peak in the OCT-signal by an additional 9 dB relative to the level of its suppression is experimentally achieved when the air delay line is used. Two-dimensional images of the surface positioned at an angle to the axis of the probe beam are obtained with the correction of the 'mirror' artefact while maintaining the dynamic range of the image. (laser biophotonics)« less

Measurement of Stress Distribution Around a Circular Hole in a Plate Under Bending Moment Using Phase-shifting Method with Reflective Polariscope Arrangement

NASA Astrophysics Data System (ADS)

Baek, Tae Hyun

Photoelasticity is one of the most widely used whole-field optical methods for stress analysis. The technique of birefringent coatings, also called the method of photoelastic coatings, extends the classical procedures of model photoelasticity to the measurement of surface strains in opaque models made of any structural material. Photoelastic phase-shifting method can be used for the determination of the phase values of isochromatics and isoclinics. In this paper, photoelastic phase-shifting technique and conventional Babinet-Soleil compensation method were utilized to analyze a specimen with a triangular hole and a circular hole under bending. Photoelastic phase-shifting technique is whole-field measurement. On the other hand, conventional compensation method is point measurement. Three groups of results were obtained by phase-shifting method with reflective polariscope arrangement, conventional compensation method and FEM simulation, respectively. The results from the first two methods agree with each other relatively well considering experiment error. The advantage of photoelastic phase-shifting method is that it is possible to measure the stress distribution accurately close to the edge of holes.

Valence-Band Electronic Structures of High-Pressure-Phase PdF2-type Platinum-Group Metal Dioxides MO2 (M = Ru, Rh, Ir, and Pt)

NASA Astrophysics Data System (ADS)

Soda, Kazuo; Kobayashi, Daichi; Mizui, Tatsuya; Kato, Masahiko; Shirako, Yuichi; Niwa, Ken; Hasegawa, Masashi; Akaogi, Masaki; Kojitani, Hiroshi; Ikenaga, Eiji; Muro, Takayuki

2018-04-01

The valence-band electronic structures of high-pressure-phase PdF2-type (HP-PdF2-type) platinum-group metal dioxides MO2 (M = Ru, Rh, Ir, and Pt) were studied by synchrotron radiation photoelectron spectroscopy and first-principles calculations. The obtained photoelectron spectra for HP-PdF2-type RuO2, RhO2, and IrO2 agree well with the calculated valence-band densities of states (DOSs) for these compounds, indicating their metallic properties, whereas the DOS of HP-PdF2-type PtO2 (calculated in the presence and absence of spin-orbit interactions) predicts that this material may be metallic or semimetallic, which is inconsistent with the electric conductivity reported to date and the charging effect observed in current photoelectron measurements. Compared with the calculated results, the valence-band spectrum of PtO2 appears to have shifted toward the high-binding-energy side and reveals a gradual intensity decrease toward the Fermi energy EF, implying a semiconductor-like electronic structure. Spin-dependent calculations predict a ferromagnetic ground state with a magnetization of 0.475 μB per formula unit for HP-PdF2-type RhO2.

Phase Shifting Capacity of the Circadian Pacemaker Determined by the SCN Neuronal Network Organization

PubMed Central

vanderLeest, Henk Tjebbe; Rohling, Jos H. T.; Michel, Stephan; Meijer, Johanna H.

2009-01-01

Background In mammals, a major circadian pacemaker that drives daily rhythms is located in the suprachiasmatic nuclei (SCN), at the base of the hypothalamus. The SCN receive direct light input via the retino-hypothalamic tract. Light during the early night induces phase delays of circadian rhythms while during the late night it leads to phase advances. The effects of light on the circadian system are strongly dependent on the photoperiod to which animals are exposed. An explanation for this phenomenon is currently lacking. Methodology and Principal Findings We recorded running wheel activity in C57 mice and observed large amplitude phase shifts in short photoperiods and small shifts in long photoperiods. We investigated whether these different light responses under short and long days are expressed within the SCN by electrophysiological recordings of electrical impulse frequency in SCN slices. Application of N-methyl-D-aspartate (NMDA) induced sustained increments in electrical activity that were not significantly different in the slices from long and short photoperiods. These responses led to large phase shifts in slices from short days and small phase shifts in slices from long days. An analysis of neuronal subpopulation activity revealed that in short days the amplitude of the rhythm was larger than in long days. Conclusions The data indicate that the photoperiodic dependent phase responses are intrinsic to the SCN. In contrast to earlier predictions from limit cycle theory, we observed large phase shifting responses in high amplitude rhythms in slices from short days, and small shifts in low amplitude rhythms in slices from long days. We conclude that the photoperiodic dependent phase responses are determined by the SCN and propose that synchronization among SCN neurons enhances the phase shifting capacity of the circadian system. PMID:19305510

A three pulse phase response curve to three milligrams of melatonin in humans

PubMed Central

Burgess, Helen J; Revell, Victoria L; Eastman, Charmane I

2008-01-01

Exogenous melatonin is increasingly used for its phase shifting and soporific effects. We generated a three pulse phase response curve (PRC) to exogenous melatonin (3 mg) by administering it to free-running subjects. Young healthy subjects (n = 27) participated in two 5 day laboratory sessions, each preceded by at least a week of habitual, but fixed sleep. Each 5 day laboratory session started and ended with a phase assessment to measure the circadian rhythm of endogenous melatonin in dim light using 30 min saliva samples. In between were three days in an ultradian dim light (< 150 lux)–dark cycle (LD 2.5 : 1.5) during which each subject took one pill per day at the same clock time (3 mg melatonin or placebo, double blind, counterbalanced). Each individual's phase shift to exogenous melatonin was corrected by subtracting their phase shift to placebo (a free-run). The resulting PRC has a phase advance portion peaking about 5 h before the dim light melatonin onset, in the afternoon. The phase delay portion peaks about 11 h after the dim light melatonin onset, shortly after the usual time of morning awakening. A dead zone of minimal phase shifts occurred around the first half of habitual sleep. The fitted maximum advance and delay shifts were 1.8 h and 1.3 h, respectively. This new PRC will aid in determining the optimal time to administer exogenous melatonin to achieve desired phase shifts and demonstrates that using exogenous melatonin as a sleep aid at night has minimal phase shifting effects. PMID:18006583

Errors in the Calculation of 27Al Nuclear Magnetic Resonance Chemical Shifts

PubMed Central

Wang, Xianlong; Wang, Chengfei; Zhao, Hui

2012-01-01

Computational chemistry is an important tool for signal assignment of 27Al nuclear magnetic resonance spectra in order to elucidate the species of aluminum(III) in aqueous solutions. The accuracy of the popular theoretical models for computing the 27Al chemical shifts was evaluated by comparing the calculated and experimental chemical shifts in more than one hundred aluminum(III) complexes. In order to differentiate the error due to the chemical shielding tensor calculation from that due to the inadequacy of the molecular geometry prediction, single-crystal X-ray diffraction determined structures were used to build the isolated molecule models for calculating the chemical shifts. The results were compared with those obtained using the calculated geometries at the B3LYP/6-31G(d) level. The isotropic chemical shielding constants computed at different levels have strong linear correlations even though the absolute values differ in tens of ppm. The root-mean-square difference between the experimental chemical shifts and the calculated values is approximately 5 ppm for the calculations based on the X-ray structures, but more than 10 ppm for the calculations based on the computed geometries. The result indicates that the popular theoretical models are adequate in calculating the chemical shifts while an accurate molecular geometry is more critical. PMID:23203134

Capillary red blood cell velocimetry by phase-resolved optical coherence tomography.

PubMed

Tang, Jianbo; Erdener, Sefik Evren; Fu, Buyin; Boas, David A

2017-10-01

We present a phase-resolved optical coherence tomography (OCT) method to extend Doppler OCT for the accurate measurement of the red blood cell (RBC) velocity in cerebral capillaries. OCT data were acquired with an M-mode scanning strategy (repeated A-scans) to account for the single-file passage of RBCs in a capillary, which were then high-pass filtered to remove the stationary component of the signal to ensure an accurate measurement of phase shift of flowing RBCs. The angular frequency of the signal from flowing RBCs was then quantified from the dynamic component of the signal and used to calculate the axial speed of flowing RBCs in capillaries. We validated our measurement by RBC passage velocimetry using the signal magnitude of the same OCT time series data.

Phase behaviors of supramolecular graft copolymers with reversible bonding

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

Zhang, Xu; Wang, Liquan, E-mail: jlin@ecust.edu.cn, E-mail: lq-wang@ecust.edu.cn; Jiang, Tao

2013-11-14

Phase behaviors of supramolecular graft copolymers with reversible bonding interactions were examined by the random-phase approximation and real-space implemented self-consistent field theory. The studied supramolecular graft copolymers consist of two different types of mutually incompatible yet reactive homopolymers, where one homopolymer (backbone) possesses multifunctional groups that allow second homopolymers (grafts) to be placed on. The calculations carried out show that the bonding strength exerts a pronounced effect on the phase behaviors of supramolecular graft copolymers. The length ratio of backbone to graft and the positions of functional groups along the backbone are also of importance to determine the phase behaviors.more » Phase diagrams were constructed at high bonding strength to illustrate this architectural dependence. It was found that the excess unbounded homopolymers swell the phase domains and shift the phase boundaries. The results were finally compared with the available experimental observations, and a well agreement is shown. The present work could, in principle, provide a general understanding of the phase behaviors of supramolecular graft copolymers with reversible bonding.« less

Dual-wavelength phase-shifting digital holography selectively extracting wavelength information from wavelength-multiplexed holograms.

PubMed

Tahara, Tatsuki; Mori, Ryota; Kikunaga, Shuhei; Arai, Yasuhiko; Takaki, Yasuhiro

2015-06-15

Dual-wavelength phase-shifting digital holography that selectively extracts wavelength information from five wavelength-multiplexed holograms is presented. Specific phase shifts for respective wavelengths are introduced to remove the crosstalk components and extract only the object wave at the desired wavelength from the holograms. Object waves in multiple wavelengths are selectively extracted by utilizing 2π ambiguity and the subtraction procedures based on phase-shifting interferometry. Numerical results show the validity of the proposed technique. The proposed technique is also experimentally demonstrated.

Phase-shift, stimuli-responsive drug carriers for targeted delivery

PubMed Central

O’Neill, Brian E; Rapoport, Natalya

2011-01-01

The intersection of particles and directed energy is a rich source of novel and useful technology that is only recently being realized for medicine. One of the most promising applications is directed drug delivery. This review focuses on phase-shift nanoparticles (that is, particles of submicron size) as well as micron-scale particles whose action depends on an external-energy triggered, first-order phase shift from a liquid to gas state of either the particle itself or of the surrounding medium. These particles have tremendous potential for actively disrupting their environment for altering transport properties and unloading drugs. This review covers in detail ultrasound and laser-activated phase-shift nano- and micro-particles and their use in drug delivery. Phase-shift based drug-delivery mechanisms and competing technologies are discussed. PMID:22059114

Digital phase shifter synchronizes local oscillators

NASA Technical Reports Server (NTRS)

Ali, S. M.

1978-01-01

Digital phase-shifting network is used as synchronous frequency multiplier for applications such as phase-locking two signals that may differ in frequency. Circuit has various phase-shift capability. Possible applications include data-communication systems and hybrid digital/analog phase-locked loops.

Nonlinear evolution of baryon acoustic oscillations

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

Crocce, Martin; Institut de Ciencies de l'Espai, IEEC-CSIC, Campus UAB, Facultat de Ciencies, Torre C5 par-2, Barcelona 08193; Scoccimarro, Roman

2008-01-15

We study the nonlinear evolution of baryon acoustic oscillations in the dark matter power spectrum and the correlation function using renormalized perturbation theory. In a previous paper we showed that renormalized perturbation theory successfully predicts the damping of acoustic oscillations; here we extend our calculation to the enhancement of power due to mode coupling. We show that mode coupling generates additional oscillations that are out of phase with those in the linear spectrum, leading to shifts in the scales of oscillation nodes defined with respect to a smooth spectrum. When Fourier transformed, these out-of-phase oscillations induce percent-level shifts in themore » acoustic peak of the two-point correlation function. We present predictions for these shifts as a function of redshift; these should be considered as a robust lower limit to the more realistic case that includes, in addition, redshift distortions and galaxy bias. We show that these nonlinear effects occur at very large scales, leading to a breakdown of linear theory at scales much larger than commonly thought. We discuss why virialized halo profiles are not responsible for these effects, which can be understood from basic physics of gravitational instability. Our results are in excellent agreement with numerical simulations, and can be used as a starting point for modeling baryon acoustic oscillations in future observations. To meet this end, we suggest a simple physically motivated model to correct for the shifts caused by mode coupling.« less

Impact of tissue atrophy on high-pass filtered MRI signal phase-based assessment in large-scale group-comparison studies: A simulation study

NASA Astrophysics Data System (ADS)

Schweser, Ferdinand; Dwyer, Michael G.; Deistung, Andreas; Reichenbach, Jürgen R.; Zivadinov, Robert

2013-10-01

The assessment of abnormal accumulation of tissue iron in the basal ganglia nuclei and in white matter plaques using the gradient echo magnetic resonance signal phase has become a research focus in many neurodegenerative diseases such as multiple sclerosis or Parkinson’s disease. A common and natural approach is to calculate the mean high-pass-filtered phase of previously delineated brain structures. Unfortunately, the interpretation of such an analysis requires caution: in this paper we demonstrate that regional gray matter atrophy, which is concomitant with many neurodegenerative diseases, may itself directly result in a phase shift seemingly indicative of increased iron concentration even without any real change in the tissue iron concentration. Although this effect is relatively small results of large-scale group comparisons may be driven by anatomical changes rather than by changes of the iron concentration.

Selective transformations between nanoparticle superlattices via the reprogramming of DNA-mediated interactions

DOE PAGES

Zhang, Yugang; Pal, Suchetan; Srinivasan, Babji; ...

2015-05-25

The rapid development of self-assembly approaches has enabled the creation of materials with desired organization of nanoscale components. However, achieving dynamic control, wherein the system can be transformed on demand into multiple entirely different states, is typically absent in atomic and molecular systems and has remained elusive in designed nanoparticle systems. Here, we demonstrate with in situ small-angle x-ray scattering that, by using DNA strands as inputs, the structure of a three-dimensional lattice of DNA-coated nanoparticles can be switched from an initial 'mother' phase into one of multiple 'daughter' phases. The introduction of different types of re-programming DNA strands modifiesmore » the DNA shells of the nanoparticles within the superlattice, thereby shifting interparticle interactions to drive the transformation into a particular daughter phase. We mapped quantitatively with free-energy calculations the selective re-programming of interactions onto the observed daughter phases.« less

On-chip programmable ultra-wideband microwave photonic phase shifter and true time delay unit.

PubMed

Burla, Maurizio; Cortés, Luis Romero; Li, Ming; Wang, Xu; Chrostowski, Lukas; Azaña, José

2014-11-01

We proposed and experimentally demonstrated an ultra-broadband on-chip microwave photonic processor that can operate both as RF phase shifter (PS) and true-time-delay (TTD) line, with continuous tuning. The processor is based on a silicon dual-phase-shifted waveguide Bragg grating (DPS-WBG) realized with a CMOS compatible process. We experimentally demonstrated the generation of delay up to 19.4 ps over 10 GHz instantaneous bandwidth and a phase shift of approximately 160° over the bandwidth 22-29 GHz. The available RF measurement setup ultimately limits the phase shifting demonstration as the device is capable of providing up to 300° phase shift for RF frequencies over a record bandwidth approaching 1 THz.

Comparison between Phase-Shift Full-Bridge Converters with Noncoupled and Coupled Current-Doubler Rectifier

PubMed Central

Tsai, Cheng-Tao; Tseng, Sheng-Yu

2013-01-01

This paper presents comparison between phase-shift full-bridge converters with noncoupled and coupled current-doubler rectifier. In high current capability and high step-down voltage conversion, a phase-shift full-bridge converter with a conventional current-doubler rectifier has the common limitations of extremely low duty ratio and high component stresses. To overcome these limitations, a phase-shift full-bridge converter with a noncoupled current-doubler rectifier (NCDR) or a coupled current-doubler rectifier (CCDR) is, respectively, proposed and implemented. In this study, performance analysis and efficiency obtained from a 500 W phase-shift full-bridge converter with two improved current-doubler rectifiers are presented and compared. From their prototypes, experimental results have verified that the phase-shift full-bridge converter with NCDR has optimal duty ratio, lower component stresses, and output current ripple. In component count and efficiency comparison, CCDR has fewer components and higher efficiency at full load condition. For small size and high efficiency requirements, CCDR is relatively suitable for high step-down voltage and high efficiency applications. PMID:24381521

Comparison between phase-shift full-bridge converters with noncoupled and coupled current-doubler rectifier.

PubMed

Tsai, Cheng-Tao; Su, Jye-Chau; Tseng, Sheng-Yu

2013-01-01

This paper presents comparison between phase-shift full-bridge converters with noncoupled and coupled current-doubler rectifier. In high current capability and high step-down voltage conversion, a phase-shift full-bridge converter with a conventional current-doubler rectifier has the common limitations of extremely low duty ratio and high component stresses. To overcome these limitations, a phase-shift full-bridge converter with a noncoupled current-doubler rectifier (NCDR) or a coupled current-doubler rectifier (CCDR) is, respectively, proposed and implemented. In this study, performance analysis and efficiency obtained from a 500 W phase-shift full-bridge converter with two improved current-doubler rectifiers are presented and compared. From their prototypes, experimental results have verified that the phase-shift full-bridge converter with NCDR has optimal duty ratio, lower component stresses, and output current ripple. In component count and efficiency comparison, CCDR has fewer components and higher efficiency at full load condition. For small size and high efficiency requirements, CCDR is relatively suitable for high step-down voltage and high efficiency applications.

Advanced Receiver For Phase-Shift-Keyed Signals

NASA Technical Reports Server (NTRS)

Hinedi, Sami M.

1992-01-01

ARX II is second "breadboard" version of advanced receiver, a hybrid digital/analog receiving subsystem, extracting symbols and Doppler shifts from weak phase-shift-keyed signals. Useful in terrestrial digital communication systems.

When are night shifts effective for nursing student clinical learning? Findings from a mixed-method study design.

PubMed

Palese, Alvisa; Basso, Felix; Del Negro, Elena; Achil, Illarj; Ferraresi, Annamaria; Morandini, Marzia; Moreale, Renzo; Mansutti, Irene

2017-05-01

Some nursing programmes offer night shifts for students while others do not, mainly due to the lack of evidence regarding their effectiveness on clinical learning. The principal aims of the study were to describe nursing students' perceptions and to explore conditions influencing effectiveness on learning processes during night shifts. An explanatory mixed-method study design composed of a cross-sectional study (primary method, first phase) followed by a descriptive phenomenological study design (secondary method, second phase) in 2015. Two bachelor of nursing degree programmes located in Northern Italy, three years in length and requiring night shifts for students starting in the second semester of the 1st year, were involved. First phase: all nursing students ending their last clinical placement of the academic year attended were eligible; 352 out the 370 participated. Second phase: a purposeful sample of nine students among those included in the first phase and who attended the highest amount of night shifts were interviewed. First phase: a questionnaire composed of closed and open-ended questions was adopted; data was analyzed through descriptive statistical methods. Second phase: an open-ended face-to-face audio-recorded interview was adopted and data was analyzed through content analysis. Findings from the quantitative phase, showed that students who attended night shifts reported satisfaction (44.7%) less frequently than those who attended only day shifts (55.9%). They also reported boredom (23.5%) significantly more often compared to day shift students (p=0001). Understanding of the nursing role and learning competence was significantly inferior among night shift students as compared to day shift students, while the perception of wasting time was significantly higher among night shift students compared to their counterparts. Night shift students performed nursing rounds (288; 98.2%), non-nursing tasks (247; 84.3%) and/or less often managed clinical problems (insomnia 37; 12.6% and disorientation/confusion 32; 10.9%). Findings from the qualitative phase showed night shifts are experienced by students as a "time potentially capable of generating clinical learning": learning is maximized when students play an active role, encounter patients' clinical problems and develop relationships with patients, caregivers and staff. Night shifts remains ambiguous from the students' perspective and their introduction in nursing education should be approached with care, considering the learning aims expected by students in their clinical placements and the education of clinical mentors education who should be capable of effectively involving students in the process of night care by avoiding non-nursing tasks. Copyright © 2017 Elsevier Ltd. All rights reserved.

Concentration and Velocity Measurements of Both Phases in Liquid-Solid Slurries

NASA Astrophysics Data System (ADS)

Altobelli, Stephen; Hill, Kimberly; Caprihan, Arvind

2007-03-01

Natural and industrial slurry flows abound. They are difficult to calculate and to measure. We demonstrate a simple technique for studying steady slurries. We previously used time-of-flight techniques to study pressure driven slurry flow in pipes. Only the continuous phase velocity and concentration fields were measured. The discrete phase concentration was inferred. In slurries composed of spherical, oil-filled pills and poly-methyl-siloxane oils, we were able to use inversion nulling to measure the concentration and velocity fields of both phases. Pills are available in 1-5mm diameter and silicone oils are available in a wide range of viscosities, so a range of flows can be studied. We demonstrated the technique in horizontal, rotating cylinder flows. We combined two tried and true methods to do these experiments. The first used the difference in T1 to select between phases. The second used gradient waveforms with controlled first moments to produce velocity dependent phase shifts. One novel processing method was developed that allows us to use static continuous phase measurements to reference both the continuous and discrete phase velocity images. ?

Electron Impact Excitation of the Electronic States of Water

NASA Astrophysics Data System (ADS)

Thorn, Penny; Diakomichalis, N.; Brunger, M. J.; Campbell, L.; Teubner, P. J. O.; Kato, H.; Makochekanwa, C.; Hoshino, M.; Tanaka, H.

2006-10-01

We report differential and integral cross sections for excitation of the lowest lying ^3B1, ^1B1, ^3A1 and ^1A1 electronic states of water. The energy range of these measurements is 15-50eV and the angular range of the DCS measurements is 10-90^o. From these DCS the corresponding ICS is calculated using a molecular phase shift analysis technique. Where possible, comparison is made to the results of available theory. One of the main objectives of this study is to perform statistical equilibrium calculations to determine if the origin of the OH Meinel bands in our atmosphere are due to electron driven processes.

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

Suleimanov, Yury V.; Aoiz, F. Javier; Guo, Hua

This Feature Article presents an overview of the current status of ring polymer molecular dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quantum transition-state theory. We then focus on its practical applications to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rate coefficients in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques formore » calculating thermal chemical rate coefficients. We also hope it will motivate further applications of RPMD to various chemical reactions.« less

Theoretical results which strengthen the hypothesis of electroweak bioenantioselection

NASA Astrophysics Data System (ADS)

Zanasi, R.; Lazzeretti, P.; Ligabue, A.; Soncini, A.

1999-03-01

It is shown via a large series of numerical tests on two fundamental organic molecules, the L-α-amino acid L-valine and the sugar precursor hydrated D-glyceraldheyde, that the ab initio calculation of the parity-violating energy shift, at the random-phase approximation level of accuracy, provides results that are about one order of magnitude larger than those obtained by means of less accurate methods employed previously. These findings would make more plausible the hypothesis of electroweak selection of natural enantiomers via the Kondepudi-Nelson scenario, or could imply that Salam phase-transition temperature is higher than previously inferred: accordingly, the hypothesis of terrestrial origin of life would become more realistic.

Electronic structure of BaNi2As2

NASA Astrophysics Data System (ADS)

Zhou, Bo; Xu, Min; Zhang, Yan; Xu, Gang; He, Cheng; Yang, L. X.; Chen, Fei; Xie, B. P.; Cui, Xiao-Yu; Arita, Masashi; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki; Dai, X.; Feng, D. L.

2011-01-01

BaNi2As2, with a first-order phase transition around 131 K, is studied by the angle-resolved photoemission spectroscopy. The measured electronic structure is compared to the local-density approximation calculations, revealing similar large electronlike bands around M¯ and differences along Γ¯-X¯. We further show that the electronic structure of BaNi2As2 is distinct from that of the sibling iron pnictides. Particularly, there is no signature of band folding, indicating no collinear spin-density-wave-related magnetic ordering. Moreover, across the strong first-order phase transition, the band shift exhibits a hysteresis, which is directly related to the significant lattice distortion in BaNi2As2.

Accurate control of a liquid-crystal display to produce a homogenized Fourier transform for holographic memories.

PubMed

Márquez, Andrés; Gallego, Sergi; Méndez, David; Alvarez, Mariela L; Fernández, Elena; Ortuño, Manuel; Neipp, Cristian; Beléndez, Augusto; Pascual, Inmaculada

2007-09-01

We show an accurate procedure to obtain a Fourier transform (FT) with no dc term using a commercial twisted-nematic liquid-crystal display. We focus on the application to holographic storage of binary data pages, where a drastic decrease of the dc term in the FT is highly desirable. Two different codification schemes are considered: binary pi radians phase modulation and hybrid ternary modulation. Any deviation in the values of the amplitude and phase shift generates the appearance of a strong dc term. Experimental results confirm that the calculated configurations provide a FT with no dc term, thus showing the effectiveness of the proposal.

Optical π phase shift created with a single-photon pulse.

PubMed

Tiarks, Daniel; Schmidt, Steffen; Rempe, Gerhard; Dürr, Stephan

2016-04-01

A deterministic photon-photon quantum logic gate is a long-standing goal. Building such a gate becomes possible if a light pulse containing only one photon imprints a phase shift of π onto another light field. We experimentally demonstrate the generation of such a π phase shift with a single-photon pulse. A first light pulse containing less than one photon on average is stored in an atomic gas. Rydberg blockade combined with electromagnetically induced transparency creates a phase shift for a second light pulse, which propagates through the medium. We measure the π phase shift of the second pulse when we postselect the data upon the detection of a retrieved photon from the first pulse. This demonstrates a crucial step toward a photon-photon gate and offers a variety of applications in the field of quantum information processing.

Phase diagram calculations and high pressure Raman spectroscopy studies of organic "plastic crystal" thermal energy storage materials

NASA Astrophysics Data System (ADS)

Chellappa, Raja S.

This dissertation presents the phase diagram calculations and high pressure Raman spectroscopy studies on organic "plastic crystal" thermal storage materials. The organic "plastic crystals" that were studied include pentaerythritol [PE:C(CH 2OH)4], neopentylglycol [NPG:(CH3)2C(CH 2OH)2], tris(hydroxymethyl)-aminomethane [TRIS:(NH2 )C(CH2OH)3], and 2-amino-2-methyl-1,3-propanediol [AMPL: (NH2)(CH3)C(CH2OH)2]. Thermodynamic optimization of the experimental data of AMPL-NPG and PE-AMPL binary system was performed and the calculated phase diagrams are presented. A preliminary calculated phase diagram of the TRIS-NPG binary system is also presented. A thorough reevaluation of the existing calorimetric and x-ray diffraction data of the PE-AMPL binary system is also presented. This analysis resulted in the correct interpretation of the phase boundaries and a revised phase diagram has been drawn. The results of high pressure Raman spectroscopy experiments on neopentylglycol and pentaerythritol presented. The phase transformation pressures were determined by analyzing the frequency shifts as a function of pressure as well as the changes in the internal modes of vibration for these compounds. A simplified assignment of the vibrational modes for NPG at ambient pressure is presented. The results indicate experiments were carried out using Diamond Anvil Cell (DAC) and the pressure induced transformations were studied by Raman spectroscopy. In NPG, a phase transition occurs at ˜3.6 GPa from Phase I (Monoclinic) to Phase II (unknown structure). In PE, the proposed phase transformation pressures are ˜4.8 GPa (Phase I to Phase II), ˜6.9 GPa (Phase II to Phase III), ˜9.5 GPa (Phase III to Phase IV), and ˜15 GPa (Phase IV to Amorphous). The results of a critical assessment of the vapor pressure data of solid metal carbonyls. The vapor pressure data of Chromium Carbonyl (Cr(CO)6), Tungsten Carbonyl (W(CO)6 ), Osmium Carbonyl (Os3(CO)12), Molybdenum Carbonyl (MO(CO)6). Rhenium Carbonyl (Re2(CO)10), and Manganese Carbonyl (Mn(CO)5) were assessed using the "Oonk Methodology". The sublimation properties using the assessed data (Delta subGo,DeltasubH o and Deltasub Cop,m ) of these compounds have been evaluated and a discussion on the mutual consistency of various data sets for each compound over a wide range of temperature is also presented.

Circadian rhythm adaptation to simulated night shift work: effect of nocturnal bright-light duration.

PubMed

Eastman, C I; Liu, L; Fogg, L F

1995-07-01

We compared bright-light durations of 6, 3 and 0 hours (i.e. dim light) during simulated night shifts for phase shifting the circadian rectal temperature rhythm to align with a 12-hour shift of the sleep schedule. After 10 baseline days there were 8 consecutive night-work, day-sleep days, with 8-hour sleep (dark) periods. The bright light (about 5,000 lux, around the baseline temperature minimum) was used during all 8 night shifts, and dim light was < 500 lux. This was a field study in which subjects (n = 46) went outside after the night shifts and slept at home. Substantial circadian adaptation (i.e. a large cumulative temperature rhythm phase shift) was produced in many subjects in the bright light groups, but not in the dim light group. Six and 3 hours of bright light were each significantly better than dim light for phase shifting the temperature rhythm, but there was no significant difference between 6 and 3 hours. Thus, durations > 3 hours are probably not necessary in similar shift-work situations. Larger temperature rhythm phase shifts were associated with better subjective daytime sleep, less subjective fatigue and better overall mood.

S-Matrix to potential inversion of low-energy α-12C phase shifts

NASA Astrophysics Data System (ADS)

Cooper, S. G.; Mackintosh, R. S.

1990-10-01

The IP S-matrix to potential inversion procedure is applied to phase shifts for selected partial waves over a range of energies below the inelastic threshold for α-12C scattering. The phase shifts were determined by Plaga et al. Potentials found by Buck and Rubio to fit the low-energy alpha cluster resonances need only an increased attraction in the surface to accurately reproduce the phase-shift behaviour. Substantial differences between the potentials for odd and even partial waves are necessary. The surface tail of the potential is postulated to be a threshold effect.

Parallel phase-shifting self-interference digital holography with faithful reconstruction using compressive sensing

NASA Astrophysics Data System (ADS)

Wan, Yuhong; Man, Tianlong; Wu, Fan; Kim, Myung K.; Wang, Dayong

2016-11-01

We present a new self-interference digital holographic approach that allows single-shot capturing three-dimensional intensity distribution of the spatially incoherent objects. The Fresnel incoherent correlation holographic microscopy is combined with parallel phase-shifting technique to instantaneously obtain spatially multiplexed phase-shifting holograms. The compressive-sensing-based reconstruction algorithm is implemented to reconstruct the original object from the under sampled demultiplexed holograms. The scheme is verified with simulations. The validity of the proposed method is experimentally demonstrated in an indirectly way by simulating the use of specific parallel phase-shifting recording device.

Phase noise optimization in temporal phase-shifting digital holography with partial coherence light sources and its application in quantitative cell imaging.

PubMed

Remmersmann, Christian; Stürwald, Stephan; Kemper, Björn; Langehanenberg, Patrik; von Bally, Gert

2009-03-10

In temporal phase-shifting-based digital holographic microscopy, high-resolution phase contrast imaging requires optimized conditions for hologram recording and phase retrieval. To optimize the phase resolution, for the example of a variable three-step algorithm, a theoretical analysis on statistical errors, digitalization errors, uncorrelated errors, and errors due to a misaligned temporal phase shift is carried out. In a second step the theoretically predicted results are compared to the measured phase noise obtained from comparative experimental investigations with several coherent and partially coherent light sources. Finally, the applicability for noise reduction is demonstrated by quantitative phase contrast imaging of pancreas tumor cells.

Phase-shifting coronagraph

NASA Astrophysics Data System (ADS)

Hénault, François; Carlotti, Alexis; Vérinaud, Christophe

2017-09-01

With the recent commissioning of ground instruments such as SPHERE or GPI and future space observatories like WFIRST-AFTA, coronagraphy should probably become the most efficient tool for identifying and characterizing extrasolar planets in the forthcoming years. Coronagraphic instruments such as Phase mask coronagraphs (PMC) are usually based on a phase mask or plate located at the telescope focal plane, spreading the starlight outside the diameter of a Lyot stop that blocks it. In this communication is investigated the capability of a PMC to act as a phase-shifting wavefront sensor for better control of the achieved star extinction ratio in presence of the coronagraphic mask. We discuss the two main implementations of the phase-shifting process, either introducing phase-shifts in a pupil plane and sensing intensity variations in an image plane, or reciprocally. Conceptual optical designs are described in both cases. Numerical simulations allow for better understanding of the performance and limitations of both options, and optimizing their fundamental parameters. In particular, they demonstrate that the phase-shifting process is a bit more efficient when implemented into an image plane, and is compatible with the most popular phase masks currently employed, i.e. fourquadrants and vortex phase masks.

Calculation of NMR chemical shifts in organic solids: accounting for motional effects.

PubMed

Dumez, Jean-Nicolas; Pickard, Chris J

2009-03-14

NMR chemical shifts were calculated from first principles for well defined crystalline organic solids. These density functional theory calculations were carried out within the plane-wave pseudopotential framework, in which truly extended systems are implicitly considered. The influence of motional effects was assessed by averaging over vibrational modes or over snapshots taken from ab initio molecular dynamics simulations. It is observed that the zero-point correction to chemical shifts can be significant, and that thermal effects are particularly noticeable for shielding anisotropies and for a temperature-dependent chemical shift. This study provides insight into the development of highly accurate first principles calculations of chemical shifts in solids, highlighting the role of motional effects on well defined systems.

Continuous opacity from Ne^-

NASA Astrophysics Data System (ADS)

John, T. L.

1996-04-01

Free-free absorption coefficients of the negative neon ion are calculated by the phase-shift approximation based on multiconfiguration Hartree-Fock continuum wave functions. These wave functions accurately account for electron-neon correlation and polarization, and yield scattering cross-sections in excellent agreement with the latest experimental values. The coefficients are expected to give the best current estimates of Ne^- continuous absorption. We find that Ne^- makes only a small contribution (less than 0.3 per cent) to stellar opacities, including hydrogen-deficient stars with enhanced Ne abundances.

Recent advances in phase shifted time averaging and stroboscopic interferometry

NASA Astrophysics Data System (ADS)

Styk, Adam; Józwik, Michał

2016-08-01

Classical Time Averaging and Stroboscopic Interferometry are widely used for MEMS/MOEMS dynamic behavior investigations. Unfortunately both methods require an extensive measurement and data processing strategies in order to evaluate the information on maximum amplitude at a given load of vibrating object. In this paper the modified strategies of data processing in both techniques are introduced. These modifications allow for fast and reliable calculation of searched value, without additional complication of measurement systems. Through the paper the both approaches are discussed and experimentally verified.

Laplace transforms of the Hulthén Green's function and their application to potential scattering

NASA Astrophysics Data System (ADS)

Laha, U.; Ray, S.; Panda, S.; Bhoi, J.

2017-10-01

We derive closed-form representations for the single and double Laplace transforms of the Hulthén Green's function of the outgoing wave multiplied by the Yamaguchi potential and write them in the maximally reduced form. We use the expression for the double transform to compute the low-energy phase shifts for the elastic scattering in the systems α-nucleon, α-He3, and α-H3. The calculation results agree well with the experimental data.

Structural and spectroscopic study of mechanically synthesized SnO2 nanostructures

NASA Astrophysics Data System (ADS)

Vij, Ankush; Kumar, Ravi

2016-05-01

We report the single step synthesis of SnO2 nanostructures using high energy mechanical attrition method. X-ray diffraction (XRD) pattern reveals the single phase rutile structure with appreciable broadening of diffraction peaks, which is a signature of nanostructure formation. The average crystallite size of SnO2 nanostructures has been calculated to be ~15 nm. The micro-Raman study reveals the shifting of A1g Raman mode towards lower wave number, which is correlated with the nanostructure formation.

The Fluctuating Bond Model, a Glue for Cuprate Superconductivity?

NASA Astrophysics Data System (ADS)

Newns, Dennis

2008-03-01

Twenty years of research have yet to produce a consensus on the origin of high temperature superconductivity (HTS). The mechanism of HTS - which originates in the CuO2 plane, common to all HTS families - can be constrained by some key experimental facts regarding superconducting and pseudogap behaviors. Superconductivity, involving a Tc of order 100 K, exhibits an unusual d-wave superconducting gap, with Fermi liquid nodal excitations, and an anomalous doping- dependent oxygen isotope shift. A ``pseudogap,'' also with d-symmetry, leads to a dip in the density of states below a characteristic temperature scale T^*, which has a negative isotope shift; we associate the pseudogap with the recently observed spatially inhomogeneous (nanometer- scale) C4 symmetry breaking. The isotope shifts and other evidence imply a key role for oxygen vibrations, but conventional BCS single-phonon coupling is essentially forbidden by symmetry and by the on-site Coulomb interaction U. In a novel approach, we introduce a model based on a strong, local, nonlinear interaction between electrons within the Cu-O-Cu bond in the CuO2 plane, and the oxygen vibrational degrees of freedom, termed the Fluctuating Bond Model (FBM) [D.M. Newns and C.C. Tsuei, Nature Physics 3, 184 (2007)]. In mean field the model predicts a phase manifesting broken C4 symmetry, with a d-type pseudogap, and an upper phase boundary in temperature, with a negative isotope shift, which we identify with T^*. An intrinsic d-wave pairing tendency is found, leading to a transition temperature dome and an anomalous isotope shift similar to that found experimentally. The softening in the oxygen vibrational frequency below Tc, seen in Raman and neutron spectra, has a natural explanation in the FBM. Recent ab initio calculations have been implemented which provide microscopic support for the model.

Defects in doped LaGaO3 anionic conductors: linking NMR spectral features, local environments, and defect thermodynamics.

PubMed

Blanc, Frédéric; Middlemiss, Derek S; Gan, Zhehong; Grey, Clare P

2011-11-09

Doped lanthanum gallate perovskites (LaGaO(3)) constitute some of the most promising electrolyte materials for solid oxide fuel cells operating in the intermediate temperature regime. Here, an approach combining experimental multinuclear NMR spectroscopy with density functional theory total energy and GIPAW NMR calculations yields a comprehensive understanding of the structural and defect chemistries of Sr- and Mg-doped LaGaO(3) anionic conductors. The DFT energetics demonstrate that Ga-V(O)-Ga (V(O) = oxygen vacancy) environments are favored (vs Ga-V(O)-Mg, Mg-V(O)-Mg and Mg-O-Mg-V(O)-Ga) across a range y = 0.0625, 0.125, and 0.25 of fractional Mg contents in LaGa(1-y)Mg(y)O(3-y/2). The results are interpreted in terms of doping and mean phase formation energies (relative to binary oxides) and are compared with previous calculations and experimental calorimetry data. Experimental multinuclear NMR data reveal that while Mg sites remain six-fold coordinated across the range of phase stoichiometries, albeit with significant structural disorder, a stoichiometry-dependent minority of the Ga sites resonate at a shift consistent with Ga(V) coordination, demonstrating that O vacancies preferentially locate in the first anion coordination shell of Ga. The strong Mg-V(O) binding inferred by previous studies is not observed here. The (17)O NMR spectra reveal distinct resonances that can be assigned by using the GIPAW NMR calculations to anions occupying equatorial and axial positions with respect to the Ga(V)-V(O) axis. The disparate shifts displayed by these sites are due to the nature and extent of the structural distortions caused by the O vacancies.

Evaluation of liver fat in the presence of iron with MRI using T2* correction: a clinical approach.

PubMed

Henninger, Benjamin; Benjamin, Henninger; Kremser, Christian; Christian, Kremser; Rauch, Stefan; Stefan, Rauch; Eder, Robert; Robert, Eder; Judmaier, Werner; Werner, Judmaier; Zoller, Heinz; Heinz, Zoller; Michaely, Henrik; Henrik, Michaely; Schocke, Michael; Michael, Schocke

2013-06-01

To assess magnetic resonance imaging (MRI) with conventional chemical shift-based sequences with and without T2* correction for the evaluation of steatosis hepatitis (SH) in the presence of iron. Thirty-one patients who underwent MRI and liver biopsy because of clinically suspected diffuse liver disease were retrospectively analysed. The signal intensity (SI) was calculated in co-localised regions of interest (ROIs) using conventional spoiled gradient-echo T1 FLASH in-phase and opposed-phase (IP/OP). T2* relaxation time was recorded in a fat-saturated multi-echo-gradient-echo sequence. The fat fraction (FF) was calculated with non-corrected and T2*-corrected SIs. Results were correlated with liver biopsy. There was significant difference (P < 0.001) between uncorrected and T2* corrected FF in patients with SH and concomitant hepatic iron overload (HIO). Using 5 % as a threshold resulted in eight false negative results with uncorrected FF whereas T2* corrected FF lead to true positive results in 5/8 patients. ROC analysis calculated three threshold values (8.97 %, 5.3 % and 3.92 %) for T2* corrected FF with accuracy 84 %, sensitivity 83-91 % and specificity 63-88 %. FF with T2* correction is accurate for the diagnosis of hepatic fat in the presence of HIO. Findings of our study suggest the use of IP/OP imaging in combination with T2* correction. • Magnetic resonance helps quantify both iron and fat content within the liver • T2* correction helps to predict the correct diagnosis of steatosis hepatitis • "Fat fraction" from T2*-corrected chemical shift-based sequences accurately quantifies hepatic fat • "Fat fraction" without T2* correction underestimates hepatic fat with iron overload.

Spontaneous Symmetry-Breaking in a Network Model for Quadruped Locomotion

NASA Astrophysics Data System (ADS)

Stewart, Ian

2017-12-01

Spontaneous symmetry-breaking proves a mechanism for pattern generation in legged locomotion of animals. The basic timing patterns of animal gaits are produced by a network of spinal neurons known as a Central Pattern Generator (CPG). Animal gaits are primarily characterized by phase differences between leg movements in a periodic gait cycle. Many different gaits occur, often having spatial or spatiotemporal symmetries. A natural way to explain gait patterns is to assume that the CPG is symmetric, and to classify the possible symmetry-breaking periodic motions. Pinto and Golubitsky have discussed a four-node model CPG network for biped gaits with ℤ2 × ℤ2 symmetry, classifying the possible periodic states that can arise. A more specific rate model with this structure has been analyzed in detail by Stewart. Here we extend these methods to quadruped gaits, using an eight-node network with ℤ4 × ℤ2 symmetry proposed by Golubitsky and coworkers. We formulate a rate model and calculate how the first steady or Hopf bifurcation depends on its parameters, which represent four connection strengths. The calculations involve a distinction between “real” gaits with one or two phase shifts (pronk, bound, pace, trot) and “complex” gaits with four phase shifts (forward and reverse walk, forward and reverse buck). The former correspond to real eigenvalues of the connection matrix, the latter to complex conjugate pairs. The partition of parameter space according to the first bifurcation, ignoring complex gaits, is described explicitly. The complex gaits introduce further complications, not yet fully understood. All eight gaits can occur as the first bifurcation from a fully synchronous equilibrium, for suitable parameters, and numerical simulations indicate that they can be asymptotically stable.

Prediction of friction pressure drop for low pressure two-phase flows on the basis of approximate analytical models

NASA Astrophysics Data System (ADS)

Zubov, N. O.; Kaban'kov, O. N.; Yagov, V. V.; Sukomel, L. A.

2017-12-01

Wide use of natural circulation loops operating at low redused pressures generates the real need to develop reliable methods for predicting flow regimes and friction pressure drop for two-phase flows in this region of parameters. Although water-air flows at close-to-atmospheric pressures are the most widely studied subject in the field of two-phase hydrodynamics, the problem of reliably calculating friction pressure drop can hardly be regarded to have been fully solved. The specific volumes of liquid differ very much from those of steam (gas) under such conditions, due to which even a small change in flow quality may cause the flow pattern to alter very significantly. Frequently made attempts to use some or another universal approach to calculating friction pressure drop in a wide range of steam quality values do not seem to be justified and yield predicted values that are poorly consistent with experimentally measured data. The article analyzes the existing methods used to calculate friction pressure drop for two-phase flows at low pressures by comparing their results with the experimentally obtained data. The advisability of elaborating calculation procedures for determining the friction pressure drop and void fraction for two-phase flows taking their pattern (flow regime) into account is demonstrated. It is shown that, for flows characterized by low reduced pressures, satisfactory results are obtained from using a homogeneous model for quasi-homogeneous flows, whereas satisfactory results are obtained from using an annular flow model for flows characterized by high values of void fraction. Recommendations for making a shift from one model to another in carrying out engineering calculations are formulated and tested. By using the modified annular flow model, it is possible to obtain reliable predictions for not only the pressure gradient but also for the liquid film thickness; the consideration of droplet entrainment and deposition phenomena allows reasonable corrections to be introduced into calculations. To the best of the authors' knowledge, it is for the first time that the entrainment of droplets from the film surface is taken into consideration in the dispersed-annular flow model.

Fabrication and investigation of effect of core size in heterostructure PbS/CdS core/shell nanoparticles

NASA Astrophysics Data System (ADS)

Das, D.; Hussain, A. M. P.

2018-04-01

PbS/CdS core/shell (CS) nanoparticles (NPs) were fabricated with three different concentrations of PbS core and CdS shell. Formation of core/shell heterostructure was confirmed from X-ray diffraction studies. The diffraction patterns exhibited formation of cubic phase and polycrystalline core/shell nanostructure. The crystalline sizes calculated from Williamson-Hall plot exhibited increase with molar concentration of precursors with decrease in strain. High resolution electron microscopy studies also confirm the formation of core/shell structure with particle size around 10 nm. A large blue-shift for PbS core compared to its bulk and small red-shift for the PbS/CdS core/shell as compared to the core is being observed in absorption spectra.

A polarization-independent liquid crystal phase modulation using polymer-network liquid crystals in a 90° twisted cell

NASA Astrophysics Data System (ADS)

Lin, Yi-Hsin; Chen, Ming-Syuan; Lin, Wei-Chih; Tsou, Yu-Shih

2012-07-01

A polarization-independent liquid crystal phase modulation using polymer-network liquid crystals in a 90° twisted cell (T-PNLC) is demonstrated. T-PNLC consists of three layers. Liquid crystal (LC) directors in the two layers near glass substrates are orthogonal to each other and those two layers modulate two eigen-polarizations of an incident light. As a result, two eigen-polarizations of an incident light experience the same phase shift. In the middle layer, LC directors are perpendicular to the glass substrate and contribute no phase shift. The phase shift of T-PNLC is electrically tunable and polarization-independent. T-PNLC does not require any bias voltage for operation. The phase shift is 0.28 π rad for the voltage of 30 Vrms. By measuring and analyzing the optical phase shift of T-PNLC at the oblique incidence of transverse magnetic wave, the pretilt angle of LC directors and the effective thickness of three layers are obtained and discussed. The potential applications are spatial light modulators, laser beam steering, and micro-lens arrays.

3D motion picture of transparent gas flow by parallel phase-shifting digital holography

NASA Astrophysics Data System (ADS)

Awatsuji, Yasuhiro; Fukuda, Takahito; Wang, Yexin; Xia, Peng; Kakue, Takashi; Nishio, Kenzo; Matoba, Osamu

2018-03-01

Parallel phase-shifting digital holography is a technique capable of recording three-dimensional (3D) motion picture of dynamic object, quantitatively. This technique can record single hologram of an object with an image sensor having a phase-shift array device and reconstructs the instantaneous 3D image of the object with a computer. In this technique, a single hologram in which the multiple holograms required for phase-shifting digital holography are multiplexed by using space-division multiplexing technique pixel by pixel. We demonstrate 3D motion picture of dynamic and transparent gas flow recorded and reconstructed by the technique. A compressed air duster was used to generate the gas flow. A motion picture of the hologram of the gas flow was recorded at 180,000 frames/s by parallel phase-shifting digital holography. The phase motion picture of the gas flow was reconstructed from the motion picture of the hologram. The Abel inversion was applied to the phase motion picture and then the 3D motion picture of the gas flow was obtained.

Strip gratings on dielectric substrates as output couplers for submillimeter lasers

NASA Astrophysics Data System (ADS)

Veron, D.; Whitbourn, L. B.

1986-03-01

This paper describes the use and advantages of metallic strip gratings on dielectric substrates as output couplers for both optically pumped and discharge-excited submillimeter lasers. Formulas are presented for the calculation of transmittance and loss of such couplers, taking account of loss in the strip grating as well as loss and multiple reflections in the substrate. Included are expressions for the phase shifts on reflection and transmission by an arbitrary lossy grid on a plane boundary between two dielectrics, according to a transmission-line model that is applicable for wavelengths in both dielectrics longer than the grid period. In relation to these phase shifts, attention is drawn to an important sign convention. The theory is shown to agree well with measured transmittance of a typical device between 500 and 1600 GHz as well as spot measurements at 891 (337-micron HCN laser), 1540, and 1578 GHz (195- and 190-micron DCN laser). Finally, the theory is used to design a low loss coupler for the low gain 119-micron line of discharge excited H2O.

Model-based phase-shifting interferometer

NASA Astrophysics Data System (ADS)

Liu, Dong; Zhang, Lei; Shi, Tu; Yang, Yongying; Chong, Shiyao; Miao, Liang; Huang, Wei; Shen, Yibing; Bai, Jian

2015-10-01

A model-based phase-shifting interferometer (MPI) is developed, in which a novel calculation technique is proposed instead of the traditional complicated system structure, to achieve versatile, high precision and quantitative surface tests. In the MPI, the partial null lens (PNL) is employed to implement the non-null test. With some alternative PNLs, similar as the transmission spheres in ZYGO interferometers, the MPI provides a flexible test for general spherical and aspherical surfaces. Based on modern computer modeling technique, a reverse iterative optimizing construction (ROR) method is employed for the retrace error correction of non-null test, as well as figure error reconstruction. A self-compiled ray-tracing program is set up for the accurate system modeling and reverse ray tracing. The surface figure error then can be easily extracted from the wavefront data in forms of Zernike polynomials by the ROR method. Experiments of the spherical and aspherical tests are presented to validate the flexibility and accuracy. The test results are compared with those of Zygo interferometer (null tests), which demonstrates the high accuracy of the MPI. With such accuracy and flexibility, the MPI would possess large potential in modern optical shop testing.

Resonances in coupled πK, ηK scattering from lattice QCD

DOE PAGES

Wilson, David J.; Dudek, Jozef J.; Edwards, Robert G.; ...

2015-03-10

Coupled-channel πK and ηK scattering amplitudes are determined by studying the finite-volume energy spectra obtained from dynamical lattice QCD calculations. Using a large basis of interpolating operators, including both those resembling a qq-bar construction and those resembling a pair of mesons with relative momentum, a reliable excited-state spectrum can be obtained. Working at mπ = 391 MeV, we find a gradual increase in the JP = 0+ πK phase-shift which may be identified with a broad scalar resonance that couples strongly to πK and weakly to ηK. The low-energy behavior of this amplitude suggests a virtual bound-state that may bemore » related to the κ resonance. A bound state with JP = 1- is found very close to the πK threshold energy, whose coupling to the πK channel is compatible with that of the experimental K*(892). Evidence is found for a narrow resonance in JP = 2+. Isospin–3/2 πK scattering is also studied and non-resonant phase-shifts spanning the whole elastic scattering region are obtained.« less

Supersensitive ancilla-based adaptive quantum phase estimation

NASA Astrophysics Data System (ADS)

Larson, Walker; Saleh, Bahaa E. A.

2017-10-01

The supersensitivity attained in quantum phase estimation is known to be compromised in the presence of decoherence. This is particularly patent at blind spots—phase values at which sensitivity is totally lost. One remedy is to use a precisely known reference phase to shift the operation point to a less vulnerable phase value. Since this is not always feasible, we present here an alternative approach based on combining the probe with an ancillary degree of freedom containing adjustable parameters to create an entangled quantum state of higher dimension. We validate this concept by simulating a configuration of a Mach-Zehnder interferometer with a two-photon probe and a polarization ancilla of adjustable parameters, entangled at a polarizing beam splitter. At the interferometer output, the photons are measured after an adjustable unitary transformation in the polarization subspace. Through calculation of the Fisher information and simulation of an estimation procedure, we show that optimizing the adjustable polarization parameters using an adaptive measurement process provides globally supersensitive unbiased phase estimates for a range of decoherence levels, without prior information or a reference phase.

Using digital inline holographic microscopy and quantitative phase contrast imaging to assess viability of cultured mammalian cells

NASA Astrophysics Data System (ADS)

Missan, Sergey; Hrytsenko, Olga

2015-03-01

Digital inline holographic microscopy was used to record holograms of mammalian cells (HEK293, B16, and E0771) in culture. The holograms have been reconstructed using Octopus software (4Deep inwater imaging) and phase shift maps were unwrapped using the FFT-based phase unwrapping algorithm. The unwrapped phase shifts were used to determine the maximum phase shifts in individual cells. Addition of 0.5 mM H2O2 to cell media produced rapid rounding of cultured cells, followed by cell membrane rupture. The cell morphology changes and cell membrane ruptures were detected in real time and were apparent in the unwrapped phase shift images. The results indicate that quantitative phase contrast imaging produced by the digital inline holographic microscope can be used for the label-free real time automated determination of cell viability and confluence in mammalian cell cultures.

White-light diffraction phase microscopy at doubled space-bandwidth product.

PubMed

Shan, Mingguang; Kandel, Mikhail E; Majeed, Hassaan; Nastasa, Viorel; Popescu, Gabriel

2016-12-12

White light diffraction microscopy (wDPM) is a quantitative phase imaging method that benefits from both temporal and spatial phase sensitivity, granted, respectively, by the common-path geometry and white light illumination. However, like all off-axis quantitative phase imaging methods, wDPM is characterized by a reduced space-bandwidth product compared to phase shifting approaches. This happens essentially because the ultimate resolution of the image is governed by the period of the interferogram and not just the diffraction limit. As a result, off-axis techniques generates single-shot, i.e., high time-bandwidth, phase measurements, at the expense of either spatial resolution or field of view. Here, we show that combining phase-shifting and off-axis, the original space-bandwidth is preserved. Specifically, we developed phase-shifting diffraction phase microscopy with white light, in which we measure and combine two phase shifted interferograms. Due to the white light illumination, the phase images are characterized by low spatial noise, i.e., <1nm pathlength. We illustrate the operation of the instrument with test samples, blood cells, and unlabeled prostate tissue biopsy.

A 2x2 W-Band Reference Time-Shifted Phase-Locked Transmitter Array in 65nm CMOS Technology

NASA Technical Reports Server (NTRS)

Tang, Adrian; Virbila, Gabriel; Hsiao, Frank; Wu, Hao; Murphy, David; Mehdi, Imran; Siegel, P. H.; Chang, M-C. Frank

2013-01-01

This paper presents a complete 2x2 phased array transmitter system operating at W-band (90-95 GHz) which employs a PLL reference time-shifting approach instead of using traditional mm-wave phase shifters. PLL reference shifting enables a phased array to be distributed over multiple chips without the need for coherent mm-wave signal distribution between chips. The proposed phased array transmitter system consumes 248 mW per array element when implemented in a 65 nm CMOS technology.

Lateral geniculate lesions block circadian phase-shift responses to a benzodiazepine.

PubMed Central

Johnson, R F; Smale, L; Moore, R Y; Morin, L P

1988-01-01

Several pharmacological treatments, including application of an excitatory neurotoxin to the lateral geniculate nucleus (LGN) and systemic administration of triazolam, a clinically effective benzodiazepine, can elicit large phase shifts in a circadian rhythm according to the time of administration. The hypothesis that the LGN might mediate the effect of triazolam on circadian clock function was tested. Bilateral lesions of the LGN, which destroyed the connection from the intergeniculate leaflet to the suprachiasmatic nucleus, blocked phase-shift responses to triazolam. The requirement of an intact LGN for triazolam to shift circadian phase suggests that the LGN may be a site through which stimuli gain access to the circadian clock to modulate rhythm phase and entrainment. Images PMID:3293053

Optically-sectioned two-shot structured illumination microscopy with Hilbert-Huang processing.

PubMed

Patorski, Krzysztof; Trusiak, Maciej; Tkaczyk, Tomasz

2014-04-21

We introduce a fast, simple, adaptive and experimentally robust method for reconstructing background-rejected optically-sectioned images using two-shot structured illumination microscopy. Our innovative data demodulation method needs two grid-illumination images mutually phase shifted by π (half a grid period) but precise phase displacement between two frames is not required. Upon frames subtraction the input pattern with increased grid modulation is obtained. The first demodulation stage comprises two-dimensional data processing based on the empirical mode decomposition for the object spatial frequency selection (noise reduction and bias term removal). The second stage consists in calculating high contrast image using the two-dimensional spiral Hilbert transform. Our algorithm effectiveness is compared with the results calculated for the same input data using structured-illumination (SIM) and HiLo microscopy methods. The input data were collected for studying highly scattering tissue samples in reflectance mode. Results of our approach compare very favorably with SIM and HiLo techniques.

Application of space periodic variation of light polarization in imaging polarimetry

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

Drobczynski, Slawomir; Kasprzak, Henryk

The application of space periodic variation of light polarization for measurement and calculation of the distribution of the phase retardation between two eigenwaves propagating inside a linearly birefringent media and the distribution of the azimuth angle of the first eigenvector is described. The measuring method proposed does not require any mechanical movements or rotations of any optical elements. Application of a liquid crystal (LC) modulator instead of a quarter-wave plate gives an opportunity to introduce the required phase shift. The space periodic modulation of the polarization of light is achieved by the use of a Wollaston prism placed inside themore » path of the light beam. Then a fast Fourier transform is used for further calculations. The number of measurements of the light intensity at the output of the system is minimized to two. These assumptions make the proposed method very fast, which is especially important in measurements of the objects with optical anisotropy that is changing in time.« less

Sn–Ag–Cu nanosolders: Melting behavior and phase diagram prediction in the Sn-rich corner of the ternary system

PubMed Central

Roshanghias, Ali; Vrestal, Jan; Yakymovych, Andriy; Richter, Klaus W.; Ipser, Herbert

2015-01-01

Melting temperatures of Sn–Ag–Cu (SAC) alloys in the Sn-rich corner are of interest for lead-free soldering. At the same time, nanoparticle solders with depressed melting temperatures close to the Sn–Pb eutectic temperature have received increasing attention. Recently, the phase stability of nanoparticles has been the subject of plenty of theoretical and empirical investigations. In the present study, SAC nanoparticles of various sizes have been synthesized via chemical reduction and the size dependent melting point depression of these particles has been specified experimentally. The liquidus projection in the Sn-rich corner of the ternary SAC system has also been calculated as a function of particle size, based on the CALPHAD-approach. The calculated melting temperatures were compared with those obtained experimentally and with values reported in the literature, which revealed good agreement. The model also predicts that with decreasing particle size, the eutectic composition shifts towards the Sn-rich corner. PMID:26082567

SU-E-T-410: Fringe Stability and Phase Shift Measurements in a Michelson Interferometer for Optical Calorimetry

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

Flores-Martinez, E; Malin, M; DeWerd, L

2014-06-01

Purpose: To identify the variables limiting the resolution of a Michelson interferometer used to measure phase shifts (PS) in water as part of a radiometric calorimeter. Methods: We investigated the output stability of a He-Ne laser and a laser diode. The short and long term stability of the fringe pattern in a Michelson interferometer was tested with different types of lasers, thermal insulation arrangements, damping systems and optical mounts to optimize system performance. PS were induced by electrically heating water in a 1 cm quartz cuvette located in one of the interferometer arms. The PS was calculated from fringe intensitymore » changes and compared to a calculated PS using thermocouple-measured temperature changes in the water. Results: The intensity of the laser diode is more stable, but the gas laser’s profile is more suitable for fringe analysis and has better temporal coherence. The laser requires a warm-up time of 4 hours before its output is stabilized (SNR>95). The fringe’s stability strongly depends on the thermal insulation. When the interferometer is exposed to ambient temperature swings of 0.7 K, it is not possible to stabilize the fringe pattern. Enclosing the system in a 2.5 cm-thick Styrofoam box improves the SNR, but further insulation will be needed to increase the SNR above 50. High frequency noise is significantly reduced by damping the system.Inducing a temperature rise in water, starting at 299 K, the average temperature increase for a 2π PS is 0.29 ± 0.02 K and the proportionality constant is -21.1 ± 0.8 radians/K. This is 5.8% lower than the calculated value using the thermocouple. Conclusion: Interferometric PS measurements of temperature may provide an alternative to thermistors for water calorimetry. The resolution of the current prototype is limited by ambient temperature stability. Calculated and measured thermally-induced PS in water agreed to within 5.8%.« less

Statistical estimation of ultrasonic propagation path parameters for aberration correction.

PubMed

Waag, Robert C; Astheimer, Jeffrey P

2005-05-01

Parameters in a linear filter model for ultrasonic propagation are found using statistical estimation. The model uses an inhomogeneous-medium Green's function that is decomposed into a homogeneous-transmission term and a path-dependent aberration term. Power and cross-power spectra of random-medium scattering are estimated over the frequency band of the transmit-receive system by using closely situated scattering volumes. The frequency-domain magnitude of the aberration is obtained from a normalization of the power spectrum. The corresponding phase is reconstructed from cross-power spectra of subaperture signals at adjacent receive positions by a recursion. The subapertures constrain the receive sensitivity pattern to eliminate measurement system phase contributions. The recursion uses a Laplacian-based algorithm to obtain phase from phase differences. Pulse-echo waveforms were acquired from a point reflector and a tissue-like scattering phantom through a tissue-mimicking aberration path from neighboring volumes having essentially the same aberration path. Propagation path aberration parameters calculated from the measurements of random scattering through the aberration phantom agree with corresponding parameters calculated for the same aberrator and array position by using echoes from the point reflector. The results indicate the approach describes, in addition to time shifts, waveform amplitude and shape changes produced by propagation through distributed aberration under realistic conditions.

A fast two-plus-one phase-shifting algorithm for high-speed three-dimensional shape measurement system

NASA Astrophysics Data System (ADS)

Wang, Wenyun; Guo, Yingfu

2008-12-01

Phase-shifting methods for 3-D shape measurement have long been employed in optical metrology for their speed and accuracy. For real-time, accurate, 3-D shape measurement, a four-step phase-shifting algorithm which has the advantage of its symmetry is a good choice; however, its measurement error is sensitive to any fringe image errors caused by various sources such as motion blur. To alleviate this problem, a fast two-plus-one phase-shifting algorithm is proposed in this paper. This kind of technology will benefit many applications such as medical imaging, gaming, animation, computer vision, computer graphics, etc.

Relationship of scattering phase shifts to special radiation force conditions for spheres in axisymmetric wave-fields.

PubMed

Marston, Philip L; Zhang, Likun

2017-05-01

When investigating the radiation forces on spheres in complicated wave-fields, the interpretation of analytical results can be simplified by retaining the s-function notation and associated phase shifts imported into acoustics from quantum scattering theory. For situations in which dissipation is negligible, as taken to be the case in the present investigation, there is an additional simplification in that partial-wave phase shifts become real numbers that vanish when the partial-wave index becomes large and when the wave-number-sphere-radius product vanishes. By restricting attention to monopole and dipole phase shifts, transitions in the axial radiation force for axisymmetric wave-fields are found to be related to wave-field parameters for traveling and standing Bessel wave-fields by considering the ratio of the phase shifts. For traveling waves, the special force conditions concern negative forces while for standing waves, the special force conditions concern vanishing radiation forces. An intermediate step involves considering the functional dependence on phase shifts. An appendix gives an approximation for zero-force plane standing wave conditions. Connections with early investigations of acoustic levitation are mentioned and some complications associated with viscosity are briefly noted.

Correlations among experimental and theoretical NMR data to determine the absolute stereochemistry of darcyribeirine, a pentacyclic indole alkaloid isolated from Rauvolfia grandiflora

NASA Astrophysics Data System (ADS)

Cancelieri, Náuvia Maria; Ferreira, Thiago Resende; Vieira, Ivo José Curcino; Braz-Filho, Raimundo; Piló-Veloso, Dorila; Alcântara, Antônio Flávio de Carvalho

2015-10-01

Darcyribeirine (1) is a pentacyclic indole alkaloid isolated from Rauvolfia grandiflora. Stereochemistry of 1 was previously proposed based on 1D (coupling constant data) and 2D (NOESY correlations) NMR techniques, having been established a configuration 3R, 15S, and 20R (isomer 1a). Stereoisomers of 1 (i.e., 1a-1h) can be grouped into four sets of enantiomers. Carbon chemical shifts and hydrogen coupling constants were calculated using BLYP/6-31G* theory level for the eight isomers of 1. Calculated NMR data of 1a-1h were correlated with the corresponding experimental data of 1. The best correlations between theoretical and experimental carbon chemical shift data were obtained for the set of enantiomers 1e/1f to structures in the gaseous phase and considering solvent effects (using PCM and explicit models). Similar results were obtained when the same procedure was performed to correlations between theoretical and experimental coupling constant data. Finally, optical rotation calculations indicate 1e as its absolute stereochemistry. Orbital population analysis indicates that the hydrogen bonding between N-H of 1e and DMSO is due to contributions of its frontier unoccupied molecular orbitals, mainly LUMO+1, LUMO+2, and LUMO+3.

A first principles approach to the electronic properties of liquid and supercritical CO2.

PubMed

Cabral, Benedito J Costa; Rivelino, Roberto; Coutinho, Kaline; Canuto, Sylvio

2015-01-14

The electronic absorption spectra of liquid and supercritical CO2 (scCO2) are investigated by coupling a many-body energy decomposition scheme to configurations generated by Born-Oppenheimer molecular dynamics. A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies were calculated with time dependent density functional theory. A red-shift of ∼ 0.2 eV relative to the gas-phase monomer is observed for the first electronic absorption maximum in liquid and scCO2. The origin of this shift, which is not very dependent on deviations from the linearity of the CO2 molecule, is mainly related to polarization effects. However, the geometry changes of the CO2 monomer induced by thermal effects and intermolecular interactions in condensed phase lead to the appearance of an average monomeric electric dipole moment〈μ〉= 0.26 ± 0.04 D that is practically the same at liquid and supercritical conditions. The predicted average quadrupole moment for both liquid and scCO2 is〈Θ〉= - 5.5 D Å, which is increased by ∼ -0.9 D Å relative to its gas-phase value. The importance of investigating the electronic properties for a better understanding of the role played by CO2 in supercritical solvation is stressed.

A Mathematical Model of the Circadian Phase-Shifting Effects of Exogenous Melatonin

PubMed Central

Breslow, Emily R.; Phillips, Andrew J.K.; Huang, Jean M.; St. Hilaire, Melissa A.; Klerman, Elizabeth B.

2013-01-01

Melatonin is endogenously produced and released in humans during nighttime darkness and is suppressed by ocular light exposure. Exogenous melatonin is used to induce circadian phase shifts and sleep. The circadian phase-shifting ability of a stimulus (e.g., melatonin or light) relative to its timing may be displayed as a phase response curve (PRC). Published PRCs to exogenous melatonin show a transition from phase advances to delays approximately 1 h after dim light melatonin onset. A previously developed mathematical model simulates endogenous production and clearance of melatonin as a function of circadian phase, light-induced suppression, and resetting of circadian phase by light. We extend this model to include the pharmacokinetics of oral exogenous melatonin and phase-shifting effects via melatonin receptors in the suprachiasmatic nucleus of the mammalian hypothalamus. Model parameters are fit using 2 data sets: (1) blood melatonin concentration following a 0.3- or 5.0-mg dose, and (2) a PRC to a 3.0-mg dose of melatonin. After fitting to the 3.0-mg PRC, the model correctly predicts that, by comparison, the 0.5-mg PRC is slightly decreased in amplitude and shifted to a later circadian phase. This model also reproduces blood concentration profiles of various melatonin preparations that differ only in absorption rate and percentage degradation by first-pass hepatic metabolism. This model can simulate experimental protocols using oral melatonin, with potential application to guide dose size and timing to optimally shift and entrain circadian rhythms. PMID:23382594

Heat activation of Phycomyces blakesleeanus spores: theromdynamics and effect of alcohols, furfural, and high pressure.

PubMed

Thevelein, J M; Van Assche, J A; Carlier, A R; Heremans, K

1979-08-01

The thermodynamic parameters for the heat activation of the sporangiospores of Phycomyces blakesleeanus were determined. For the apparent activation enthalpy (DeltaH(#)) a value of 1,151 kJ/mol was found, whereas a value of 3,644 J./ degrees K.mol was calculated for the apparent activation entropy (DeltaS(#)). n-Alcohols (from methanol to octanol), phenethyl alcohol, and furfural lowered the activation temperature of P. blakesleeanus spores. The heat resistance of the spores was lowered concomitantly. The effect of the alcohols was a linear function of the concentration in the range that could be applied. When the log of the concentration needed to produce an equal shift of the activation temperature was plotted for each alochol against the log of the octanol/water partition coefficient, a straight line was obtained. The free energy of adsorption of the n-alcohols to their active sites was calculated to be -2,487 J/mol of CH(2) groups. Although still inconclusive, this points toward an involvement of protein in the activation process. The effect of phenethyl alcohol was similar to the effect of n-alcohols, but furfural produced a greater shift than would be expected from the value of its partition coefficient. When the heat activation of the spores was performed under high pressure, the activation temperature was raised by 2 to 4 degrees K/1,000 atm. However, with pressures higher than 1,000 atm (1.013 x 10(5) kPa) the activation temperature was lowered until the pressure became lethal (more than 2,500 atm). It is known that membrane phase transition temperatures are shifted upward by about 20 degrees K/1,000 atm and that protein conformational changes are shifted upward by 2 to 6 degrees K/1,000 atm. Consequently, heat activation of fungal spores seems to be triggered by a protein conformational change and not by a membrane phase transition. Activation volumes of -54.1 cm(3)/mol at 38 degrees C and -79.3 cm(2)/mol at 40 degrees C were found for the lowering effect of high pressure on the heat activation temperature.

Heat Activation of Phycomyces blakesleeanus Spores: Thermodynamics and Effect of Alcohols, Furfural, and High Pressure

PubMed Central

Thevelein, Johan M.; Van Assche, Jozef A.; Carlier, Albert R.; Heremans, Karel

1979-01-01

The thermodynamic parameters for the heat activation of the sporangiospores of Phycomyces blakesleeanus were determined. For the apparent activation enthalpy (ΔH#) a value of 1,151 kJ/mol was found, whereas a value of 3,644 J./°K·mol was calculated for the apparent activation entropy (ΔS#). n-Alcohols (from methanol to octanol), phenethyl alcohol, and furfural lowered the activation temperature of P. blakesleeanus spores. The heat resistance of the spores was lowered concomitantly. The effect of the alcohols was a linear function of the concentration in the range that could be applied. When the log of the concentration needed to produce an equal shift of the activation temperature was plotted for each alochol against the log of the octanol/water partition coefficient, a straight line was obtained. The free energy of adsorption of the n-alcohols to their active sites was calculated to be −2,487 J/mol of CH2 groups. Although still inconclusive, this points toward an involvement of protein in the activation process. The effect of phenethyl alcohol was similar to the effect of n-alcohols, but furfural produced a greater shift than would be expected from the value of its partition coefficient. When the heat activation of the spores was performed under high pressure, the activation temperature was raised by 2 to 4°K/1,000 atm. However, with pressures higher than 1,000 atm (1.013 × 105 kPa) the activation temperature was lowered until the pressure became lethal (more than 2,500 atm). It is known that membrane phase transition temperatures are shifted upward by about 20°K/1,000 atm and that protein conformational changes are shifted upward by 2 to 6°K/1,000 atm. Consequently, heat activation of fungal spores seems to be triggered by a protein conformational change and not by a membrane phase transition. Activation volumes of −54.1 cm3/mol at 38°C and −79.3 cm2/mol at 40°C were found for the lowering effect of high pressure on the heat activation temperature. PMID:88438

Fabricating fiber Bragg gratings with two phase masks based on reconstruction-equivalent-chirp technique.

PubMed

Gao, Liang; Chen, Xiangfei; Xiong, Jintian; Liu, Shengchun; Pu, Tao

2012-01-30

Based on reconstruction-equivalent-chirp (REC) technique, a novel solution for fabricating low-cost long fiber Bragg gratings (FBGs) with desired properties is proposed and initially studied. A proof-of-concept experiment is demonstrated with two conventional uniform phase masks and a submicron-precision translation stage, successfully. It is shown that the original phase shift (OPS) caused by phase mismatch of the two phase masks can be compensated by the equivalent phase shift (EPS) at the ±1st channels of sampled FBGs, separately. Furthermore, as an example, a π phase-shifted FBG of about 90 mm is fabricated by using these two 50mm-long uniform phase masks based on the presented method.

Tau-independent Phase Analysis: A Novel Method for Accurately Determining Phase Shifts.

PubMed

Tackenberg, Michael C; Jones, Jeff R; Page, Terry L; Hughey, Jacob J

2018-06-01

Estimations of period and phase are essential in circadian biology. While many techniques exist for estimating period, comparatively few methods are available for estimating phase. Current approaches to analyzing phase often vary between studies and are sensitive to coincident changes in period and the stage of the circadian cycle at which the stimulus occurs. Here we propose a new technique, tau-independent phase analysis (TIPA), for quantifying phase shifts in multiple types of circadian time-course data. Through comprehensive simulations, we show that TIPA is both more accurate and more precise than the standard actogram approach. TIPA is computationally simple and therefore will enable accurate and reproducible quantification of phase shifts across multiple subfields of chronobiology.

Optical Fibers Would Sense Local Strains

NASA Technical Reports Server (NTRS)

Egalon, Claudio O.; Rogowski, Robert S.

1994-01-01

Proposed fiber-optic transducers measure local strains. Includes lead-in and lead-out lengths producing no changes in phase shifts, plus short sensing length in which phase shift is sensitive to strain. Phase shifts in single-mode fibers vary with strains. In alternative version, multiple portions of optical fiber sensitive to strains characteristic of specific vibrational mode of object. Same principle also used with two-mode fiber.

Probing the Low-Barrier Hydrogen Bond in Hydrogen Maleate in the Gas Phase: A Photoelectron Spectroscopy and ab Initio Study

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

Woo, Hin-koon; Wang, Xue B.; Wang, Lai S.

2005-12-01

The strength of the low-barrier hydrogen bond in hydrogen maleate in the gas phase was investigated by low-temperature photoelectron spectroscopy and ab initio calculations. Photoelectron spectra of maleic and fumaric acid monoanions (cis-/trans-HO2CCHdCHCO2 -) were obtained at low temperatures and at 193 nm photon energy. Vibrational structure was observed for trans-HO2CCHdCHCO2 - due to the OCO bending modes; however, cis-HO2CCHdCHCO2 - yielded a broad and featureless spectrum. The electron binding energy of cis-HO2CCHdCHCO2 - is about 1 eV blue-shifted relative to trans-HO2CCHdCHCO2 - due to the formation of intramolecular hydrogen bond in the cis-isomer. Theoretical calculations (CCSD(T)/ aug-cc-pVTZ and B3LYP/aug-cc-pVTZ)more » were carried out to estimate the strength of the intramolecular hydrogen bond in cis-HO2CCHdCHCO2 -. Combining experimental and theoretical calculations yields an estimate of 21.5 ( 2.0 kcal/mol for the intramolecular hydrogen bond strength in hydrogen maleate.« less

Crosstalk Cancellation for a Simultaneous Phase Shifting Interferometer

NASA Technical Reports Server (NTRS)

Olczak, Eugene (Inventor)

2014-01-01

A method of minimizing fringe print-through in a phase-shifting interferometer, includes the steps of: (a) determining multiple transfer functions of pixels in the phase-shifting interferometer; (b) computing a crosstalk term for each transfer function; and (c) displaying, to a user, a phase-difference map using the crosstalk terms computed in step (b). Determining a transfer function in step (a) includes measuring intensities of a reference beam and a test beam at the pixels, and measuring an optical path difference between the reference beam and the test beam at the pixels. Computing crosstalk terms in step (b) includes computing an N-dimensional vector, where N corresponds to the number of transfer functions, and the N-dimensional vector is obtained by minimizing a variance of a modulation function in phase shifted images.

Investigation of the Influence of Heat Balance Shifts on the Freeze Microstructure and Composition in Aluminum Smelting Bath System: Cryolite-CaF2-AlF3-Al2O3

NASA Astrophysics Data System (ADS)

Liu, Jingjing; Fallah-Mehrjardi, Ata; Shishin, Denis; Jak, Evgueni; Dorreen, Mark; Taylor, Mark

2017-12-01

In an aluminum electrolysis cell, the side ledge forms on side walls to protect it from the corrosive cryolitic bath. In this study, a series of laboratory analogue experiments have been carried out to investigate the microstructure and composition of side ledge (freeze linings) at different heat balance steady states. Three distinct layers are found in the freeze linings formed in the designed Cryolite-CaF2-AlF3-Al2O3 electrolyte system: a closed (columnar) crystalline layer, an open crystalline layer, and a sealing layer. This layered structure changes when the heat balance is shifted between different steady states, by melting or freezing the open crystalline layer. Phase chemistry of the freeze lining is studied in this paper to understand the side ledge formation process upon heat balance shifts. Electron probe X-ray microanalysis (EPMA) is used to characterize the microstructure and compositions of distinct phases existing in the freeze linings, which are identified as cryolite, chiolite, Ca-cryolite, and alumina. A freeze formation mechanism is further developed based on these microstructural/compositional investigations and also thermodynamic calculations through the software—FactSage. It is found that entrapped liquid channels exist in the open crystalline layer, assisting with the mass transfer between solidified crystals and bulk molten bath.

1H NMR spectra part 31: 1H chemical shifts of amides in DMSO solvent.

PubMed

Abraham, Raymond J; Griffiths, Lee; Perez, Manuel

2014-07-01

The (1)H chemical shifts of 48 amides in DMSO solvent are assigned and presented. The solvent shifts Δδ (DMSO-CDCl3 ) are large (1-2 ppm) for the NH protons but smaller and negative (-0.1 to -0.2 ppm) for close range protons. A selection of the observed solvent shifts is compared with calculated shifts from the present model and from GIAO calculations. Those for the NH protons agree with both calculations, but other solvent shifts such as Δδ(CHO) are not well reproduced by the GIAO calculations. The (1)H chemical shifts of the amides in DMSO were analysed using a functional approach for near ( ≤ 3 bonds removed) protons and the electric field, magnetic anisotropy and steric effect of the amide group for more distant protons. The chemical shifts of the NH protons of acetanilide and benzamide vary linearly with the π density on the αN and βC atoms, respectively. The C=O anisotropy and steric effect are in general little changed from the values in CDCl3. The effects of substituents F, Cl, Me on the NH proton shifts are reproduced. The electric field coefficient for the protons in DMSO is 90% of that in CDCl3. There is no steric effect of the C=O oxygen on the NH proton in an NH…O=C hydrogen bond. The observed deshielding is due to the electric field effect. The calculated chemical shifts agree well with the observed shifts (RMS error of 0.106 ppm for the data set of 257 entries). Copyright © 2014 John Wiley & Sons, Ltd.

Canceling the momentum in a phase-shifting algorithm to eliminate spatially uniform errors.

PubMed

Hibino, Kenichi; Kim, Yangjin

2016-08-10

In phase-shifting interferometry, phase modulation nonlinearity causes both spatially uniform and nonuniform errors in the measured phase. Conventional linear-detuning error-compensating algorithms only eliminate the spatially variable error component. The uniform error is proportional to the inertial momentum of the data-sampling weight of a phase-shifting algorithm. This paper proposes a design approach to cancel the momentum by using characteristic polynomials in the Z-transform space and shows that an arbitrary M-frame algorithm can be modified to a new (M+2)-frame algorithm that acquires new symmetry to eliminate the uniform error.

[INVITED] Nanofabrication of phase-shifted Bragg gratings on the end facet of multimode fiber towards development of optical filters and sensors

NASA Astrophysics Data System (ADS)

Gallego, E. E.; Ascorbe, J.; Del Villar, I.; Corres, J. M.; Matias, I. R.

2018-05-01

This work describes the process of nanofabrication of phase-shifted Bragg gratings on the end facet of a multimode optical fiber with a pulsed DC sputtering system based on a single target. Several structures have been explored as a function of parameters such as the number of layers or the phase-shift. The experimental results, corroborated with simulations based on plane-wave propagation in a stack of homogeneous layers, indicate that the phase-shift can be controlled with a high degree of accuracy. The device could be used both in communications, as a filter, or in the sensors domain. As an example of application, a humidity sensor with wavelength shifts of 12 nm in the range of 30 to 90% relative humidity (200 pm/% relative humidity) is presented.

Method, memory media and apparatus for detection of grid disconnect

DOEpatents

Ye, Zhihong [Clifton Park, NY; Du, Pengwei [Troy, NY

2008-09-23

A phase shift procedure for detecting a disconnect of a power grid from a feeder that is connected to a load and a distributed generator. The phase shift procedure compares a current phase shift of the output voltage of the distributed generator with a predetermined threshold and if greater, a command is issued for a disconnect of the distributed generator from the feeder. To extend the range of detection, the phase shift procedure is used when a power mismatch between the distributed generator and the load exceeds a threshold and either or both of an under/over frequency procedure and an under/over voltage procedure is used when any power mismatch does not exceed the threshold.

ANTICOOL: Simulating positron cooling and annihilation in atomic gases

NASA Astrophysics Data System (ADS)

Green, D. G.

2018-03-01

The Fortran program ANTICOOL, developed to simulate positron cooling and annihilation in atomic gases for positron energies below the positronium-formation threshold, is presented. Given positron-atom elastic scattering phase shifts, normalised annihilation rates Zeff, and γ spectra as a function of momentum k, ANTICOOL enables the calculation of the positron momentum distribution f(k , t) as a function of time t, the time-varying normalised annihilation rate Z¯eff(t) , the lifetime spectrum and time-varying annihilation γ spectra. The capability and functionality of the program is demonstrated via a tutorial-style example for positron cooling and annihilation in room temperature helium gas, using accurate scattering and annihilation cross sections and γ spectra calculated using many-body theory as input.

Towards Lattice QCD Baryon Forces at the Physical Point: First Results

NASA Astrophysics Data System (ADS)

Doi, Takumi; Aoki, Sinya; Gongyo, Shinya; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Iritani, Takumi; Ishii, Noriyoshi; Miyamoto, Takaya; Murano, Keiko; Nemura, Hidekatsu; Sasaki, Kenji

Lattice QCD calculations of baryon forces are performed for the first time with (almost) physical quark masses. Nf = 2 + 1 dynamical clover fermion gauge configurations are generated at the lattice spacing of a ≃ 0.085 fm on a (96a)4 ≃ (8.2 fm)4 lattice with quark masses corresponding to (mπ,mK) ≃ (146,525) MeV. Baryon forces are calculated using the time-dependent HAL QCD method. In this report, we study ΞΞ and NN systems both in 1S0 and 3S1-3D1 channels, and the results for the central and tensor forces as well as phase shifts in the ΞΞ (1S0) channel are presented.

Quantum propagation in single mode fiber

NASA Technical Reports Server (NTRS)

Joneckis, Lance G.; Shapiro, Jeffrey H.

1994-01-01

This paper presents a theory for quantum light propagation in a single-mode fiber which includes the effects of the Kerr nonlinearity, group-velocity dispersion, and linear loss. The theory reproduces the results of classical self-phase modulation, quantum four-wave mixing, and classical solution physics, within their respective regions of validity. It demonstrates the crucial role played by the Kerr-effect material time constant, in limiting the quantum phase shifts caused by the broadband zero-point fluctuations that accompany any quantized input field. Operator moment equations - approximated, numerically, via a terminated cumulant expansion - are used to obtain results for homodyne-measurement noise spectra when dispersion is negligible. More complicated forms of these equations can be used to incorporate dispersion into the noise calculations.

A Refinement of the McMillen (1988) Recursive Digital Filter for the Analysis of Atmospheric Turbulence

NASA Astrophysics Data System (ADS)

Falocchi, Marco; Giovannini, Lorenzo; Franceschi, Massimiliano de; Zardi, Dino

2018-05-01

We present a refinement of the recursive digital filter proposed by McMillen (Boundary-Layer Meteorol 43:231-245, 1988), for separating surface-layer turbulence from low-frequency fluctuations affecting the mean flow, especially over complex terrain. In fact, a straightforward application of the filter causes both an amplitude attenuation and a forward phase shift in the filtered signal. As a consequence turbulence fluctuations, evaluated as the difference between the original series and the filtered one, as well as higher-order moments calculated from them, may be affected by serious inaccuracies. The new algorithm (i) produces a rigorous zero-phase filter, (ii) restores the amplitude of the low-frequency signal, and (iii) corrects all filter-induced signal distortions.

Cooperative scattering and radiation pressure force in dense atomic clouds

NASA Astrophysics Data System (ADS)

Bachelard, R.; Piovella, N.; Courteille, Ph. W.

2011-07-01

Atomic clouds prepared in “timed Dicke” states, i.e. states where the phase of the oscillating atomic dipole moments linearly varies along one direction of space, are efficient sources of superradiant light emission [Scully , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.96.010501 96, 010501 (2006)]. Here, we show that, in contrast to previous assertions, timed Dicke states are not the states automatically generated by incident laser light. In reality, the atoms act back on the driving field because of the finite refraction of the cloud. This leads to nonuniform phase shifts, which, at higher optical densities, dramatically alter the cooperative scattering properties, as we show by explicit calculation of macroscopic observables, such as the radiation pressure force.

Experimental evaluation of a new form of M-ary (M = 8) phase shift keying including design of the transmitter and receiver

NASA Astrophysics Data System (ADS)

Thompson, G. E.

1984-12-01

For transmitting digital information over bandpass channels, M-ary Phase Shift Keying 8(PSK) schemes are used to conserve bandwidth at the expense of signal power. A block of k bits is used to change the phase of the carrier. These k bits represent M possible phase shifts since M = 2. Common forms of M-ary PSK use equally spaced phase angles. For example, if M = 8 and k=3, 8-ary PSK uses eight phase angles spaced 45 degrees apart. This thesis considers a hybrid form of PSK when M = 8 and k = 3. Each of eight blocks of data with three bits per block are represented by different phase shifts of the carrier. The phase angles are chosen to give an equal distance between states (symbols) when projected onto the sine axis and the cosine axis of a phasor diagram. Thus, when the three bits are recovered, using two coherent phase detectors, the separation of the decision regions (voltage levels) are equal.

Interacting hadron resonance gas model in the K -matrix formalism

NASA Astrophysics Data System (ADS)

Dash, Ashutosh; Samanta, Subhasis; Mohanty, Bedangadas

2018-05-01

An extension of hadron resonance gas (HRG) model is constructed to include interactions using relativistic virial expansion of partition function. The noninteracting part of the expansion contains all the stable baryons and mesons and the interacting part contains all the higher mass resonances which decay into two stable hadrons. The virial coefficients are related to the phase shifts which are calculated using K -matrix formalism in the present work. We have calculated various thermodynamics quantities like pressure, energy density, and entropy density of the system. A comparison of thermodynamic quantities with noninteracting HRG model, calculated using the same number of hadrons, shows that the results of the above formalism are larger. A good agreement between equation of state calculated in K -matrix formalism and lattice QCD simulations is observed. Specifically, the lattice QCD calculated interaction measure is well described in our formalism. We have also calculated second-order fluctuations and correlations of conserved charges in K -matrix formalism. We observe a good agreement of second-order fluctuations and baryon-strangeness correlation with lattice data below the crossover temperature.

A novel design measuring method based on linearly polarized laser interference

NASA Astrophysics Data System (ADS)

Cao, Yanbo; Ai, Hua; Zhao, Nan

2013-09-01

The interferometric method is widely used in the precision measurement, including the surface quality of the large-aperture mirror. The laser interference technology has been developing rapidly as the laser sources become more and more mature and reliable. We adopted the laser diode as the source for the sake of the short coherent wavelength of it for the optical path difference of the system is quite shorter as several wavelengths, and the power of laser diode is sufficient for measurement and safe to human eye. The 673nm linearly laser was selected and we construct a novel form of interferometric system as we called `Closed Loop', comprised of polarizing optical components, such as polarizing prism and quartz wave plate, the light from the source split by which into measuring beam and referencing beam, they've both reflected by the measuring mirror, after the two beams transforming into circular polarization and spinning in the opposite directions we induced the polarized light synchronous phase shift interference technology to get the detecting fringes, which transfers the phase shifting in time domain to space, so that we did not need to consider the precise-controlled shift of optical path difference, which will introduce the disturbance of the air current and vibration. We got the interference fringes from four different CCD cameras well-alignment, and the fringes are shifted into four different phases of 0, π/2, π, and 3π/2 in time. After obtaining the images from the CCD cameras, we need to align the interference fringes pixel to pixel from different CCD cameras, and synthesis the rough morphology, after getting rid of systematic error, we could calculate the surface accuracy of the measuring mirror. This novel design detecting method could be applied into measuring the optical system aberration, and it would develop into the setup of the portable structural interferometer and widely used in different measuring circumstances.

Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba2In2O4(OH)2 Structure and Dynamics.

PubMed

Dervişoğlu, Rıza; Middlemiss, Derek S; Blanc, Frédéric; Lee, Yueh-Lin; Morgan, Dane; Grey, Clare P

2015-06-09

A structural characterization of the hydrated form of the brownmillerite-type phase Ba 2 In 2 O 5 , Ba 2 In 2 O 4 (OH) 2 , is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H 2 O fill the inherent O vacancies of the brownmillerite structure, one of the water protons remains in the same layer (O3) while the second proton is located in the neighboring layer (O2) in sites with partial occupancies, as previously demonstrated by Jayaraman et al. (Solid State Ionics2004, 170, 25-32) using X-ray and neutron studies. Calculations of possible proton arrangements within the partially occupied layer of Ba 2 In 2 O 4 (OH) 2 yield a set of low energy structures; GIPAW NMR calculations on these configurations yield 1 H and 17 O chemical shifts and peak intensity ratios, which are then used to help assign the experimental MAS NMR spectra. Three distinct 1 H resonances in a 2:1:1 ratio are obtained experimentally, the most intense resonance being assigned to the proton in the O3 layer. The two weaker signals are due to O2 layer protons, one set hydrogen bonding to the O3 layer and the other hydrogen bonding alternately toward the O3 and O1 layers. 1 H magnetization exchange experiments reveal that all three resonances originate from protons in the same crystallographic phase, the protons exchanging with each other above approximately 150 °C. Three distinct types of oxygen atoms are evident from the DFT GIPAW calculations bare oxygens (O), oxygens directly bonded to a proton (H-donor O), and oxygen ions that are hydrogen bonded to a proton (H-acceptor O). The 17 O calculated shifts and quadrupolar parameters are used to assign the experimental spectra, the assignments being confirmed by 1 H- 17 O double resonance experiments.

Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba2In2O4(OH)2 Structure and Dynamics

PubMed Central

2015-01-01

A structural characterization of the hydrated form of the brownmillerite-type phase Ba2In2O5, Ba2In2O4(OH)2, is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H2O fill the inherent O vacancies of the brownmillerite structure, one of the water protons remains in the same layer (O3) while the second proton is located in the neighboring layer (O2) in sites with partial occupancies, as previously demonstrated by Jayaraman et al. (Solid State Ionics2004, 170, 25−32) using X-ray and neutron studies. Calculations of possible proton arrangements within the partially occupied layer of Ba2In2O4(OH)2 yield a set of low energy structures; GIPAW NMR calculations on these configurations yield 1H and 17O chemical shifts and peak intensity ratios, which are then used to help assign the experimental MAS NMR spectra. Three distinct 1H resonances in a 2:1:1 ratio are obtained experimentally, the most intense resonance being assigned to the proton in the O3 layer. The two weaker signals are due to O2 layer protons, one set hydrogen bonding to the O3 layer and the other hydrogen bonding alternately toward the O3 and O1 layers. 1H magnetization exchange experiments reveal that all three resonances originate from protons in the same crystallographic phase, the protons exchanging with each other above approximately 150 °C. Three distinct types of oxygen atoms are evident from the DFT GIPAW calculations bare oxygens (O), oxygens directly bonded to a proton (H-donor O), and oxygen ions that are hydrogen bonded to a proton (H-acceptor O). The 17O calculated shifts and quadrupolar parameters are used to assign the experimental spectra, the assignments being confirmed by 1H–17O double resonance experiments. PMID:26321789

Ultra-wideband microwave photonic phase shifter with a 360° tunable phase shift based on an erbium-ytterbium co-doped linearly chirped FBG.

PubMed

Liu, Weilin; Yao, Jianping

2014-02-15

A simple photonic approach to implementing an ultra-wideband microwave phase shifter based on an erbium-ytterbium (Er/Yb) co-doped linearly chirped fiber Bragg grating (LCFBG) is proposed and experimentally demonstrated. The LCFBG is designed to have a constant magnitude response over a reflection band, and a phase response that is linear and nonlinear in two sections in the reflection band. When an optical single-sideband with carrier (OSSB+C) signal is sent to the LCFBG, by locating the optical carrier at the section corresponding to the nonlinear phase response and the sideband at the section corresponding to the linear phase response, a phase shift is introduced to the optical carrier, which is then translated to the microwave signal by beating the optical carrier and the sideband at a photodetector. The tuning of the phase shift is realized by optically pumping the Er/Yb co-doped LCFBG by a 980-nm laser diode. The proposed ultra-wideband microwave photonic phase shifter is experimentally demonstrated. A phase shifter with a full 360° phase shift with a bandwidth from 10 to 40 GHz is experimentally demonstrated.

Relative Configuration of Natural Products Using NMR Chemical Shifts

USDA-ARS?s Scientific Manuscript database

By comparing calculated with experimental NMR chemical shifts, we were able to determine the relative configurations of three monoterpene diastereomers produced by the walkingstick Anisomorpha buprestoides. The combined RMSDs of both 1H and 13C quantum chemically calculated shifts were able to predi...

Simultaneous phase-shifting interferometry study based on the common-path Fizeau interferometer

NASA Astrophysics Data System (ADS)

Liu, Feng-wei; Wu, Yong-qian

2014-09-01

A simultaneous phase-shifting interferometry(SPSI) based on the common-path Fizeau interferometer has been discussed.In this system,two orthogonal polarized beams, using as the reference beam and test beam ,are detached by a particular Wollaston prism at a very small angle,then four equal sub-beams are achieved by a combination of three non-polarizing beam splitters(NPBS),and the phase shifts are introduced by four polarizers whose polarization azimuths are 0°, 45°, 90°, 135° with the horizontal direction respectively,the four phase shift interferograms are collected simultaneously by controlling the CCDs working at the same time .The SPSI principle is studied at first,then is the error analysis, finally we emulate the process of surface recovery by four steps phase shifts algorithm,the results indicate that, to ensure the feasibility of the SPSI system, we have to control the polarization azimuth error of the polarizer in +/- 0.5°.

A Control Allocation System for Automatic Detection and Compensation of Phase Shift Due to Actuator Rate Limiting

NASA Technical Reports Server (NTRS)

Yildiz, Yidiray; Kolmanovsky, Ilya V.; Acosta, Diana

2011-01-01

This paper proposes a control allocation system that can detect and compensate the phase shift between the desired and the actual total control effort due to rate limiting of the actuators. Phase shifting is an important problem in control system applications since it effectively introduces a time delay which may destabilize the closed loop dynamics. A relevant example comes from flight control where aggressive pilot commands, high gain of the flight control system or some anomaly in the system may cause actuator rate limiting and effective time delay introduction. This time delay can instigate Pilot Induced Oscillations (PIO), which is an abnormal coupling between the pilot and the aircraft resulting in unintentional and undesired oscillations. The proposed control allocation system reduces the effective time delay by first detecting the phase shift and then minimizing it using constrained optimization techniques. Flight control simulation results for an unstable aircraft with inertial cross coupling are reported, which demonstrate phase shift minimization and recovery from a PIO event.

Chronic phase advance alters circadian physiological rhythms and peripheral molecular clocks

PubMed Central

Wolff, Gretchen; Duncan, Marilyn J.

2013-01-01

Shifting the onset of light, acutely or chronically, can profoundly affect responses to infection, tumor progression, development of metabolic disease, and mortality in mammals. To date, the majority of phase-shifting studies have focused on acute exposure to a shift in the timing of the light cycle, whereas the consequences of chronic phase shifts alone on molecular rhythms in peripheral tissues such as skeletal muscle have not been studied. In this study, we tested the effect of chronic phase advance on the molecular clock mechanism in two phenotypically different skeletal muscles. The phase advance protocol (CPA) involved 6-h phase advances (earlier light onset) every 4 days for 8 wk. Analysis of the molecular clock, via bioluminescence recording, in the soleus and flexor digitorum brevis (FDB) muscles and lung demonstrated that CPA advanced the phase of the rhythm when studied immediately after CPA. However, if the mice were placed into free-running conditions (DD) for 2 wk after CPA, the molecular clock was not phase shifted in the two muscles but was still shifted in the lung. Wheel running behavior remained rhythmic in CPA mice; however, the endogenous period length of the free-running rhythm was significantly shorter than that of control mice. Core body temperature, cage activity, and heart rate remained rhythmic throughout the experiment, although the onset of the rhythms was significantly delayed with CPA. These results provide clues that lifestyles associated with chronic environmental desynchrony, such as shift work, can have disruptive effects on the molecular clock mechanism in peripheral tissues, including both types of skeletal muscle. Whether this can contribute, long term, to increased incidence of insulin resistance/metabolic disease requires further study. PMID:23703115

Development of Michelson interferometer based spatial phase-shift digital shearography

NASA Astrophysics Data System (ADS)

Xie, Xin

Digital shearography is a non-contact, full field, optical measurement method, which has the capability of directly measuring the gradient of deformation. For high measurement sensitivity, phase evaluation method has to be introduced into digital shearography by phase-shift technique. Catalog by phase-shift method, digital phase-shift shearography can be divided into Temporal Phase-Shift Digital Shearography (TPS-DS) and Spatial Phase-Shift Digital Shearography (SPS-DS). TPS-DS is the most widely used phase-shift shearography system, due to its simple algorithm, easy operation and good phase-map quality. However, the application of TPS-DS is only limited in static/step-by-step loading measurement situation, due to its multi-step shifting process. In order to measure the strain under dynamic/continuous loading situation, a SPS-DS system has to be developed. This dissertation aims to develop a series of Michelson Interferometer based SPS-DS measurement methods to achieve the strain measurement by using only a single pair of speckle pattern images. The Michelson Interferometer based SPS-DS systems utilize special designed optical setup to introduce extra carrier frequency into the laser wavefront. The phase information corresponds to the strain field can be separated on the Fourier domain using a Fourier Transform and can further be evaluated with a Windowed Inverse Fourier Transform. With different optical setups and carrier frequency arrangements, the Michelson Interferometer based SPS-DS method is capable to achieve a variety of measurement tasks using only single pair of speckle pattern images. Catalog by the aimed measurand, these capable measurement tasks can be divided into five categories: 1) measurement of out-of-plane strain field with small shearing amount; 2) measurement of relative out-of-plane deformation field with big shearing amount; 3) simultaneous measurement of relative out-of-plane deformation field and deformation gradient field by using multiple carrier frequencies; 4) simultaneous measurement of two directional strain field using dual measurement channels 5) measurement of pure in-plane strain and pure out-of-plane strain with multiple carrier frequencies. The basic theory, optical path analysis, preliminary studies, results analysis and research plan are shown in detail in this dissertation.

Knight-shift anomalies in heavy-electron materials

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

Kim, E.; Cox, D.L.

1998-08-01

We have studied the Knight shift K({rvec r},T) and magnetic susceptibility {chi}(T) of heavy-electron materials, modeled by the infinite-U Anderson model with the noncrossing approximation method. A systematic study of K({rvec r},T) and {chi}(T) for different Kondo temperatures T{sub 0} (which depends on the hybridization width {Gamma}) shows a low-temperature anomaly (nonlinear relation between K and {chi}) which increases as the Kondo temperature T{sub 0} and distance r increase. We carried out an incoherent lattice sum by adding the K({rvec r}) of a few hundred shells of rare-earth atoms around a nucleus and compare the numerically calculated results with themore » experimental results. For CeSn{sub 3}, which is a concentrated heavy-electron material, both the {sup 119}Sn NMR Knight shift and positive muon Knight shift are studied. Also, lattice coherence effects by conduction-electron scattering at every rare-earth site are included using the average-T-matrix approximation. The calculated magnetic susceptibility and {sup 119}Sn NMR Knight shift show excellent agreement with experimental results for both incoherent and coherent calculations. The positive muon Knight shifts are calculated for both possible positions of muon (center of the cubic unit cell and middle of Ce-Ce bond axis). Our numerical results show a low-temperature anomaly for the muons of the correct magnitude but we can only find agreement with experiment if we take a weighted average of the two sites in a calculation with lattice coherence present. For YbCuAl, the measured {sup 27}Al NMR Knight shift shows an anomaly with opposite sign to the CeSn{sub 3} compound. Our calculations agree very well with the experiments. For the proposed quadrupolar Kondo alloy Y{sub 0.8}U{sub 0.2}Pd{sub 3}, our {sup 89}Y NMR Knight-shift calculation do not show the observed Knight-shift anomaly. {copyright} {ital 1998} {ital The American Physical Society}« less

Knowledge-based support for the participatory design and implementation of shift systems.

PubMed

Gissel, A; Knauth, P

1998-01-01

This study developed a knowledge-based software system to support the participatory design and implementation of shift systems as a joint planning process including shift workers, the workers' committee, and management. The system was developed using a model-based approach. During the 1st phase, group discussions were repeatedly conducted with 2 experts. Thereafter a structure model of the process was generated and subsequently refined by the experts in additional semistructured interviews. Next, a factual knowledge base of 1713 relevant studies was collected on the effects of shift work. Finally, a prototype of the knowledge-based system was tested on 12 case studies. During the first 2 phases of the system, important basic information about the tasks to be carried out is provided for the user. During the 3rd phase this approach uses the problem-solving method of case-based reasoning to determine a shift rota which has already proved successful in other applications. It can then be modified in the 4th phase according to the shift workers' preferences. The last 2 phases support the final testing and evaluation of the system. The application of this system has shown that it is possible to obtain shift rotas suitable to actual problems and representative of good ergonomic solutions. A knowledge-based approach seems to provide valuable support for the complex task of designing and implementing a new shift system. The separation of the task into several phases, the provision of information at all stages, and the integration of all parties concerned seem to be essential factors for the success of the application.

Broadband and high efficiency all-dielectric metasurfaces for wavefront steering with easily obtained phase shift

NASA Astrophysics Data System (ADS)

Yang, Hui; Deng, Yan

2017-12-01

All-dielectric metasurfaces for wavefront deflecting and optical vortex generating with broadband and high efficiency are demonstrated. The unit cell of the metasurfaces is optimized to function as a half wave-plate with high polarization conversion efficiency (94%) and transmittance (94.5%) at the telecommunication wavelength. Under such a condition, we can get rid of the complicated parameter sweep process for phase shift selecting. Hence, a phase coverage ranges from 0 to 2 π can be easily obtained by introducing the Pancharatnam-Berry phase. Metasurfaces composed of the two pre-designed super cells are demonstrated for optical beam deflecting and vortex beam generating. It is found that the metasurfaces with more phase shift sampling points (small phase shift increment) exhibit better performance. Moreover, optical vortex beams can be generated by the designed metasurfaces within a wavelength range of 200 nm. These results will provide a viable route for designing broadband and high efficiency devices related to phase modulation.

Coral-macroalgal phase shifts or reef resilience: links with diversity and functional roles of herbivorous fishes on the Great Barrier Reef

NASA Astrophysics Data System (ADS)

Cheal, A. J.; MacNeil, M. Aaron; Cripps, E.; Emslie, M. J.; Jonker, M.; Schaffelke, B.; Sweatman, H.

2010-12-01

Changes from coral to macroalgal dominance following disturbances to corals symbolize the global degradation of coral reefs. The development of effective conservation measures depends on understanding the causes of such phase shifts. The prevailing view that coral-macroalgal phase shifts commonly occur due to insufficient grazing by fishes is based on correlation with overfishing and inferences from models and small-scale experiments rather than on long-term quantitative field studies of fish communities at affected and resilient sites. Consequently, the specific characteristics of herbivorous fish communities that most promote reef resilience under natural conditions are not known, though this information is critical for identifying vulnerable ecosystems. In this study, 11 years of field surveys recorded the development of the most persistent coral-macroalgal phase shift (>7 years) yet observed on Australia’s Great Barrier Reef (GBR). This shift followed extensive coral mortality caused by thermal stress (coral bleaching) and damaging storms. Comparisons with two similar reefs that suffered similar disturbances but recovered relatively rapidly demonstrated that the phase shift occurred despite high abundances of one herbivore functional group (scraping/excavating parrotfishes: Labridae). However, the shift was strongly associated with low fish herbivore diversity and low abundances of algal browsers (predominantly Siganidae) and grazers/detritivores (Acanthuridae), suggesting that one or more of these factors underpin reef resilience and so deserve particular protection. Herbivorous fishes are not harvested on the GBR, and the phase shift was not enhanced by unusually high nutrient levels. This shows that unexploited populations of herbivorous fishes cannot ensure reef resilience even under benign conditions and suggests that reefs could lose resilience under relatively low fishing pressure. Predictions of more severe and widespread coral mortality due to global climate change emphasize the need for more effective identification and protection of ecosystem components that are critical for the prevention of coral reef phase shifts.

The DV-Xα Calculations of Optical Spectra and Their Pressure-Induced Shifts for Ruby

NASA Astrophysics Data System (ADS)

Ma, Dongping; Ellis, D. E.; Liu, Yanyun; Chen, Jurong

1997-10-01

The R line and U band at normal pressure and their pressure-induced shifts of ruby have been calculated by making use of the SCF embedded-cluster discrete variational (DV-Xα) method. The calculated results of the spectral pressure-induced shifts of ruby by making use of the crystal-field theory have also been given. The results of the first-principle calculations are in very good agreement with the experimental data and the calculated results by using crystal-field theory. The results of local lattice relaxations around the Cr3+ ion are obtained by the DV-Xα calculations. The project supported by National Natural Science Foundation of China

QEDMOD: Fortran program for calculating the model Lamb-shift operator

NASA Astrophysics Data System (ADS)

Shabaev, V. M.; Tupitsyn, I. I.; Yerokhin, V. A.

2018-02-01

We present Fortran package QEDMOD for computing the model QED operator hQED that can be used to account for the Lamb shift in accurate atomic-structure calculations. The package routines calculate the matrix elements of hQED with the user-specified one-electron wave functions. The operator can be used to calculate Lamb shift in many-electron atomic systems with a typical accuracy of few percent, either by evaluating the matrix element of hQED with the many-electron wave function, or by adding hQED to the Dirac-Coulomb-Breit Hamiltonian.

Theoretical and experimental NMR study of protopine hydrochloride isomers.

PubMed

Tousek, Jaromír; Malináková, Katerina; Dostál, Jirí; Marek, Radek

2005-07-01

The 1H and 13C NMR chemical shifts of cis- and trans-protopinium salts were measured and calculated. The calculations of the chemical shifts consisted of conformational analysis, geometry optimization (RHF/6-31G** method) and shielding constants calculations (B3LYP/6-31G** method). Based on the results of the quantum chemical calculations, two sets of experimental chemical shifts were assigned to the particular isomers. According to the experimental results, the trans-isomer is more stable and its population is approximately 68%. Copyright 2005 John Wiley & Sons, Ltd

Self-Organization in 2D Traffic Flow Model with Jam-Avoiding Drive

NASA Astrophysics Data System (ADS)

Nagatani, Takashi

1995-04-01

A stochastic cellular automaton (CA) model is presented to investigate the traffic jam by self-organization in the two-dimensional (2D) traffic flow. The CA model is the extended version of the 2D asymmetric exclusion model to take into account jam-avoiding drive. Each site contains either a car moving to the up, a car moving to the right, or is empty. A up car can shift right with probability p ja if it is blocked ahead by other cars. It is shown that the three phases (the low-density phase, the intermediate-density phase and the high-density phase) appear in the traffic flow. The intermediate-density phase is characterized by the right moving of up cars. The jamming transition to the high-density jamming phase occurs with higher density of cars than that without jam-avoiding drive. The jamming transition point p 2c increases with the shifting probability p ja. In the deterministic limit of p ja=1, it is found that a new jamming transition occurs from the low-density synchronized-shifting phase to the high-density moving phase with increasing density of cars. In the synchronized-shifting phase, all up cars do not move to the up but shift to the right by synchronizing with the move of right cars. We show that the jam-avoiding drive has an important effect on the dynamical jamming transition.

Investigation of mixed ionospheric and fround scatter using high spectral content pulse sequences for SuperDARN radars

NASA Astrophysics Data System (ADS)

Spaleta, J.; Bristow, W. A.

2013-12-01

SuperDARN radars estimate plasma drift velocities from the Doppler shift observed on signals scattered from field-aligned density irregularities. These field-aligned density irregularities are embedded in the ionospheric plasma, and move at the same velocity as background plasma. As a result, the electromagnetic signals scattered from these irregularities are Doppler shifted. The SuperDARN radars routinely observe ionospheric scatter Doppler velocities ranging from zero to thousands of meters per second. The radars determine the Doppler shift of the ionospheric scatter by linear fitting the phase of an auto correlation function derived from the radar pulse sequence. The phase fitting technique employed assumes a single dominant velocity is present in the signal. In addition, the SuperDARN radars can also observe signals scattered from the ground. Once refracted by the ionospheric plasma and bent earthward, the radar pulses eventually reach the ground where they scatter, sending signal back to the radar. This ground-scatter signal is characterized as having a low Doppler shift and low spectral width. The SuperDARN radars are able to use these signal characteristics to discriminate the ground scatter signal from the ionospheric scatter, when regions of ground scatter are isolated from ionospheric scatter returns. The phase fitting assumption of a single dominate target can easily be violated at ranges where ground and ionospheric scatter mix together. Due to the wide elevation angle extent of the SuperDARN radar design, ground and ionospheric scatter from different propagation paths can mix together in the return signal. When this happens, the fitting algorithm attempts to fit to the dominant signal, and if ground scatter dominates, information about the ionospheric scatter at that range can be unresolved. One way to address the mix scatter situation is to use a high spectral content pulse sequence together with a spectral estimation technique. The high spectral content pulse sequence consists of twice as many pulses and five times as many distinct lags over which to calculate the auto correlation function. This additional spectral information makes it possible to use spectral estimator techniques, that are robust against aperiodic time series data, to calculate the existence of multiple scatter modes in the signal. A comparison of the operation of the traditional SuperDARN pulse sequence and high spectral content pulse sequence will be presented for both synthetic examples and real SuperDARN radar mixed scatter situation.

The Study of Phase-shift Super-Frequency Induction Heating Power Supply

NASA Astrophysics Data System (ADS)

Qi, Hairun; Peng, Yonglong; Li, Yabin

This paper combines pulse-width phase-shift power modulation with fixed-angle phase-locked-control to adjust the inverter's output power, this method not only meets the work conditions of voltage inverter, but also realizes the large-scale of power modulation, and the main circuit is simple, the switching devices realize soft switching. This paper analyzes the relationship between the output power and phase-shift angle, the control strategy is simulated by Matlab/Simulink, and the results show that the method is feasible and meets the theoretical analysis

Structure, spectra and antioxidant action of ascorbic acid studied by density functional theory, Raman spectroscopic and nuclear magnetic resonance techniques.

PubMed

Singh, Gurpreet; Mohanty, B P; Saini, G S S

2016-02-15

Structure, vibrational and nuclear magnetic resonance spectra, and antioxidant action of ascorbic acid towards hydroxyl radicals have been studied computationally and in vitro by ultraviolet-visible, nuclear magnetic resonance and vibrational spectroscopic techniques. Time dependant density functional theory calculations have been employed to specify various electronic transitions in ultraviolet-visible spectra. Observed chemical shifts and vibrational bands in nuclear magnetic resonance and vibrational spectra, respectively have been assigned with the help of calculations. Changes in the structure of ascorbic acid in aqueous phase have been examined computationally and experimentally by recording Raman spectra in aqueous medium. Theoretical calculations of the interaction between ascorbic acid molecule and hydroxyl radical predicted the formation of dehydroascorbic acid as first product, which has been confirmed by comparing its simulated spectra with the corresponding spectra of ascorbic acid in presence of hydrogen peroxide. Copyright © 2015 Elsevier B.V. All rights reserved.

New size-expanded RNA nucleobase analogs: a detailed theoretical study.

PubMed

Zhang, Laibin; Zhang, Zhenwei; Ren, Tingqi; Tian, Jianxiang; Wang, Mei

2015-04-05

Fluorescent nucleobase analogs have attracted much attention in recent years due to their potential applications in nucleic acids research. In this work, four new size-expanded RNA base analogs were computationally designed and their structural, electronic, and optical properties are investigated by means of DFT calculations. The results indicate that these analogs can form stable Watson-Crick base pairs with natural counterparts and they have smaller ionization potentials and HOMO-LUMO gaps than natural ones. Particularly, the electronic absorption spectra and fluorescent emission spectra are calculated. The calculated excitation maxima are greatly red-shifted compared with their parental and natural bases, allowing them to be selectively excited. In gas phase, the fluorescence from them would be expected to occur around 526, 489, 510, and 462 nm, respectively. The influences of water solution and base pairing on the relevant absorption spectra of these base analogs are also examined. Copyright © 2015 Elsevier B.V. All rights reserved.

Motion-induced error reduction by combining Fourier transform profilometry with phase-shifting profilometry.

PubMed

Li, Beiwen; Liu, Ziping; Zhang, Song

2016-10-03

We propose a hybrid computational framework to reduce motion-induced measurement error by combining the Fourier transform profilometry (FTP) and phase-shifting profilometry (PSP). The proposed method is composed of three major steps: Step 1 is to extract continuous relative phase maps for each isolated object with single-shot FTP method and spatial phase unwrapping; Step 2 is to obtain an absolute phase map of the entire scene using PSP method, albeit motion-induced errors exist on the extracted absolute phase map; and Step 3 is to shift the continuous relative phase maps from Step 1 to generate final absolute phase maps for each isolated object by referring to the absolute phase map with error from Step 2. Experiments demonstrate the success of the proposed computational framework for measuring multiple isolated rapidly moving objects.

Spectroscopic Doppler analysis for visible-light optical coherence tomography

NASA Astrophysics Data System (ADS)

Shu, Xiao; Liu, Wenzhong; Duan, Lian; Zhang, Hao F.

2017-12-01

Retinal oxygen metabolic rate can be effectively measured by visible-light optical coherence tomography (vis-OCT), which simultaneously quantifies oxygen saturation and blood flow rate in retinal vessels through spectroscopic analysis and Doppler measurement, respectively. Doppler OCT relates phase variation between sequential A-lines to the axial flow velocity of the scattering medium. The detectable phase shift is between -π and π due to its periodicity, which limits the maximum measurable unambiguous velocity without phase unwrapping. Using shorter wavelengths, vis-OCT is more vulnerable to phase ambiguity since flow induced phase variation is linearly related to the center wavenumber of the probing light. We eliminated the need for phase unwrapping using spectroscopic Doppler analysis. We split the whole vis-OCT spectrum into a series of narrow subbands and reconstructed vis-OCT images to extract corresponding Doppler phase shifts in all the subbands. Then, we quantified flow velocity by analyzing subband-dependent phase shift using linear regression. In the phantom experiment, we showed that spectroscopic Doppler analysis extended the measurable absolute phase shift range without conducting phase unwrapping. We also tested this method to quantify retinal blood flow in rodents in vivo.

Electronic structures at the interface between CuPc and black phosphorus

NASA Astrophysics Data System (ADS)

Wang, Can; Niu, Dongmei; Xie, Haipeng; Liu, Baoxing; Wang, Shitan; Zhu, Menglong; Gao, Yongli

2017-08-01

The electronic structure at the organic-inorganic semiconductor interface of π -conjugated copper phthalocyanine (CuPc) on a black phosphorus (BP) crystal surface is studied with photoemission spectroscopy and density functional theory calculations. From the photoemission spectra, we observe a shift of about 0.7 eV for the highest occupied molecular orbital, which originates from the transition of phase in the organic molecular thin film (from the interface phase to the bulk phase). On the other hand, we find 0.2 eV band bending at the CuPc/BP interface while the formation of an interface dipole is very small. According to our photoemission spectrum and theoretical simulation, we also define that the interaction between CuPc and BP is physisorption via van der Waals forces, rather than chemisorption. Our results provide a fundamental understanding of CuPc/BP interfacial interactions that could be important for future two-dimensional organic/inorganic heterostructure devices.

High precision, fast ultrasonic thermometer based on measurement of the speed of sound in air

NASA Astrophysics Data System (ADS)

Huang, K. N.; Huang, C. F.; Li, Y. C.; Young, M. S.

2002-11-01

This study presents a microcomputer-based ultrasonic system which measures air temperature by detecting variations in the speed of sound in the air. Changes in the speed of sound are detected by phase shift variations of a 40 kHz continuous ultrasonic wave. In a test embodiment, two 40 kHz ultrasonic transducers are set face to face at a constant distance. Phase angle differences between transmitted and received signals are determined by a FPGA digital phase detector and then analyzed in an 89C51 single-chip microcomputer. Temperature is calculated and then sent to a LCD display and, optionally, to a PC. Accuracy of measurement is within 0.05 degC at an inter-transducer distance of 10 cm. Temperature variations are displayed within 10 ms. The main advantages of the proposed system are high resolution, rapid temperature measurement, noncontact measurement and easy implementation.

A novel 3D deformation measurement method under optical microscope for micro-scale bulge-test

NASA Astrophysics Data System (ADS)

Wu, Dan; Xie, Huimin

2017-11-01

A micro-scale 3D deformation measurement method combined with optical microscope is proposed in this paper. The method is based on gratings and phase shifting algorithm. By recording the grating images before and after deformation from two symmetrical angles and calculating the phases of the grating patterns, the 3D deformation field of the specimen can be extracted from the phases of the grating patterns. The proposed method was applied to the micro-scale bulge test. A micro-scale thermal/mechanical coupling bulge-test apparatus matched with the super-depth microscope was exploited. With the gratings fabricated onto the film, the deformed morphology of the bulged film was measured reliably. The experimental results show that the proposed method and the exploited bulge-test apparatus can be used to characterize the thermal/mechanical properties of the films at micro-scale successfully.

Moire measuring technology for three-dimensional profile of the object

NASA Astrophysics Data System (ADS)

Fu, Yanjun; Yang, Kuntao

2006-02-01

An optical system is designed to get projection of the transmission grating, the deformed grating is obtained on surface of the object. The image of the deformed grating is given by the lens, the reference grating is put on the place of the image, and then the moire fringe is obtained. The amplify principle of the moire fringe is used to measure the profile of the object. The optical principle of the projection is analyzed. And the relation between the phase and the height of object is deduced. From the different point of geometry optics and the physics opticsl, the optical system is analyzed, the factors that influence the image equality and the measuring result are obtained. So the betterment of improving the measuring precision is brought forward, and in the later information processing, because of the diffuse reflection, the image equality is not very well. In order to get a good image, the digital filter is used to filter the noise and smooth the image firstly. Then in order to improve the measure precision, the subdivision technology is applied. The Fourier transform profilometry and phase shifting technology is used in the calculation. A detail analyses is done both in time field and frequency field. And the method of improving the measuring precision is put forward. A good digital filter algorithm is brought forward in the Fourier transform profilometry. In the phase shifting technology, the detail formula of three-step and four-step is given. At last the phase that is relational with the high information of the object is get, but the phase is disconnected phase, after the unwrapping algorithm,the disconnected phase is changed to be the continuous phase. Taking use of the relation between the phase and height, the height is obtained. Then the three-dimensional profile of the measured object can be reconstructed. The system is very convenient for non-contact measure of profile of some objects.

The timing of the human circadian clock is accurately represented by the core body temperature rhythm following phase shifts to a three-cycle light stimulus near the critical zone

NASA Technical Reports Server (NTRS)

Jewett, M. E.; Duffy, J. F.; Czeisler, C. A.

2000-01-01

A double-stimulus experiment was conducted to evaluate the phase of the underlying circadian clock following light-induced phase shifts of the human circadian system. Circadian phase was assayed by constant routine from the rhythm in core body temperature before and after a three-cycle bright-light stimulus applied near the estimated minimum of the core body temperature rhythm. An identical, consecutive three-cycle light stimulus was then applied, and phase was reassessed. Phase shifts to these consecutive stimuli were no different from those obtained in a previous study following light stimuli applied under steady-state conditions over a range of circadian phases similar to those at which the consecutive stimuli were applied. These data suggest that circadian phase shifts of the core body temperature rhythm in response to a three-cycle stimulus occur within 24 h following the end of the 3-day light stimulus and that this poststimulus temperature rhythm accurately reflects the timing of the underlying circadian clock.

Dynamical manifestation of an evolving Berry phase as a frequency shift of the resonance transition between two eigenstates

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

Toriyama, Koichi; Oguchi, Akihide; Morinaga, Atsuo

2011-12-15

We investigate the phenomenon that a Berry phase evolving linearly in time induces a frequency shift of the resonance transition between two eigenstates, regardless of whether or not they are superposed. Using the magnetic-field-insensitive two-photon microwave--radio-frequency transition, which is free of any other dynamical frequency shift, we demonstrate that the frequency shift caused by a uniform rotation of the magnetic field corresponds to the derivative of the Berry phase with respect to time and depends on the direction of rotation of the magnetic field.

Benchmark results for few-body hypernuclei

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

Ruffino, Fabrizio Ferrari; Lonardoni, Diego; Barnea, Nir

2017-03-16

Here, the Non-Symmetrized Hyperspherical Harmonics method (NSHH) is introduced in the hypernuclear sector and benchmarked with three different ab-initio methods, namely the Auxiliary Field Diffusion Monte Carlo method, the Faddeev–Yakubovsky approach and the Gaussian Expansion Method. Binding energies and hyperon separation energies of three- to five-body hypernuclei are calculated by employing the two-body ΛN component of the phenomenological Bodmer–Usmani potential, and a hyperon-nucleon interaction simulating the scattering phase shifts given by NSC97f. The range of applicability of the NSHH method is briefly discussed.

A Coulomb-Like Off-Shell T-Matrix with the Correct Coulomb Phase Shift

NASA Astrophysics Data System (ADS)

Oryu, Shinsho; Watanabe, Takashi; Hiratsuka, Yasuhisa; Togawa, Yoshio

2017-03-01

We confirm the reliability of the well-known Coulomb renormalization method (CRM). It is found that the CRM is only available for a very-long-range screened Coulomb potential (SCP). However, such an SCP calculation in momentum space is considerably difficult because of the cancelation of significant digits. In contrast to the CRM, we propose a new method by using an on-shell equivalent SCP and the rest term. The two-potential theory with r-space is introduced, which defines fully the off-shell Coulomb amplitude.

LX Persei, an eclipsing binary with H and K emission

NASA Technical Reports Server (NTRS)

Weiler, E. J.

1974-01-01

The masses and MK classes were calculated for the eclipsing spectroscopic binary LX Persei. Its spectrum shows strong H and K emission and doubled lines in the photographic region. The Ca II emission velocity shifts vary in phase with the secondary's absorption lines and are presumably associated with this component. The stars are tentatively classed as G0 V and K0 IV, and the cooler component is the more massive by a ratio of 0.96. The system has a period of 8.0 days.

Convergent close-coupling approach to positron scattering on He+★

NASA Astrophysics Data System (ADS)

Rawlins, Charlie M.; Kadyrov, Alisher S.; Bray, Igor

2018-05-01

A close-coupling method is used to generate electron-loss and total scattering cross sections for the first three partial waves with both a single-centre and two-centre expansion of the scattering wave function for positron scattering on He +. The two expansions are consistent with each other above the ionisation threshold verifying newly-developed positronium-formation matrix elements. Below the positronium-formation threshold both the single- and two-centre results agree with the elastic-scattering cross sections generated from the phase shifts reported in previous calculations.

Gyroscopic effects in interference of matter waves

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

Tolstikhin, Oleg I.; Morishita, Toru; Watanabe, Shinichi

2005-11-15

A new gyroscopic interference effect stemming from the Galilean translational factor in the matter wave function is pointed out. In contrast to the well-known Sagnac effect that stems from the geometric phase and leads to a shift of interference fringes, this effect causes slanting of the fringes. We illustrate it by calculations for two split cigar-shaped Bose-Einstein condensates under the conditions of a recent experiment, see Y. Shin et al., Phys. Rev. Lett. 92, 050405 (2004). Importantly, the measurement of slanting obviates the need of a third reference cloud.

Photorefractive Tungsten Bronze Crystals for Optical Limiters and Filters.

DTIC Science & Technology

1996-01-01

vector , X is the laser light wavelength, 0 is the half- angle between the two crossing laser beams, and k0 is the Debye screening wave vector given by...between the grating and the dielectric constant E’ = 950) such that the grating’ vector is interference pattern, the intensities of the output beams from...substituting Io, I, and Id into expression 0 ple d 2o0o 25i00 (8), we can calculate the phase shift between the grating and Applied Electric Feild in V

Structural and spectroscopic study of mechanically synthesized SnO{sub 2} nanostructures

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

Vij, Ankush, E-mail: vij-anx@yahoo.com; Kumar, Ravi; Presently at Beant College of Engineering and Technology, Gurdaspur-143521

2016-05-23

We report the single step synthesis of SnO{sub 2} nanostructures using high energy mechanical attrition method. X-ray diffraction (XRD) pattern reveals the single phase rutile structure with appreciable broadening of diffraction peaks, which is a signature of nanostructure formation. The average crystallite size of SnO{sub 2} nanostructures has been calculated to be ~15 nm. The micro-Raman study reveals the shifting of A{sub 1g} Raman mode towards lower wave number, which is correlated with the nanostructure formation.

CCKT Calculation of e-H Total Cross Sections

NASA Technical Reports Server (NTRS)

Bhatia, Aaron K.; Schneider, B. I.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2002-01-01

We are in the process of carrying out calculations of e-H total cross sections using the 'complex-correlation Kohn-T' (CCKT) method. In a later paper, we described the methodology more completely, but confined calculations to the elastic scattering region, with definitive, precision results for S-wave phase shifts. Here we extend the calculations to the (low) continuum (1 much less than k(exp 2) much less than 3) using a Green's function formulation. This avoids having to solve integro-differential equations; rather we evaluate indefinite integrals involving appropriate Green's functions and the (complex) optical potential to find the scattering function u(r). From the asymptotic form of u(r) we extract a T(sub L) which is a complex number. From T(sub L), elastic sigma(sub L)(elastic) = 4pi(2L+1)((absolute value of T(sub L))(exp 2)), and total sigma (sub L)(total) = 4pi/k(2L+1)Im(T(sub L)) cross sections follow.

Complex Correlation Kohn-T Method of Calculating Total and Elastic Cross Sections. Part 1; Electron-Hydrogen Elastic Scattering

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2001-01-01

We report on the first part of a study of electron-hydrogen scattering, using a method which allows for the ab initio calculation of total and elastic cross sections at higher energies. In its general form the method uses complex 'radial' correlation functions, in a (Kohn) T-matrix formalism. The titled method, abbreviated Complex Correlation Kohn T (CCKT) method, is reviewed, in the context of electron-hydrogen scattering, including the derivation of the equation for the (complex) scattering function, and the extraction of the scattering information from the latter. The calculation reported here is restricted to S-waves in the elastic region, where the correlation functions can be taken, without loss of generality, to be real. Phase shifts are calculated using Hylleraas-type correlation functions with up to 95 terms. Results are rigorous lower bounds; they are in general agreement with those of Schwartz, but they are more accurate and outside his error bounds at a couple of energies,

Synthesis, spectral characterization and density functional theory exploration of 1-(quinolin-3-yl)piperidin-2-ol

NASA Astrophysics Data System (ADS)

Suresh, M.; Syed Ali Padusha, M.; Bharanidharan, S.; Saleem, H.; Dhandapani, A.; Manivarman, S.

2015-06-01

The experimental and theoretical vibrational frequencies of a newly synthesized compound, namely 1-(quinolin-3-yl)piperidin-2-ol (QPPO) are analyzed. The experimental FT-IR (4000-400 cm-1) and FT-Raman (4000-100 cm-1) of the molecule in solid phase have been recorded. The optimized molecular structure, vibrational assignments of QPPO have been investigated experimentally and theoretically using Gaussian03W software package. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The first order hyperpolarizability (β0) is calculated to find its character in non-linear optics. Gauge including atomic orbital (GIAO) method is used to calculate 1H NMR chemical shift calculations were carried out and compared with experimental data. The electronic properties like UV-Visible spectral analysis and HOMO-LUMO energies were reported. The energy gap shows that the charge transfer occurs within the molecule. Thermodynamic parameters of the title compound were calculated at various temperatures.

Application of ANFIS to Phase Estimation for Multiple Phase Shift Keying

NASA Technical Reports Server (NTRS)

Drake, Jeffrey T.; Prasad, Nadipuram R.

2000-01-01

The paper discusses a novel use of Adaptive Neuro-Fuzzy Inference Systems (ANFIS) for estimating phase in Multiple Phase Shift Keying (M-PSK) modulation. A brief overview of communications phase estimation is provided. The modeling of both general open-loop, and closed-loop phase estimation schemes for M-PSK symbols with unknown structure are discussed. Preliminary performance results from simulation of the above schemes are presented.

Visualization of lithium-ion transport and phase evolution within and between manganese oxide nanorods.

PubMed

Xu, Feng; Wu, Lijun; Meng, Qingping; Kaltak, Merzuk; Huang, Jianping; Durham, Jessica L; Fernandez-Serra, Marivi; Sun, Litao; Marschilok, Amy C; Takeuchi, Esther S; Takeuchi, Kenneth J; Hybertsen, Mark S; Zhu, Yimei

2017-05-24

Multiple lithium-ion transport pathways and local phase changes upon lithiation in silver hollandite are revealed via in situ microscopy including electron diffraction, imaging and spectroscopy, coupled with density functional theory and phase field calculations. We report unexpected inter-nanorod lithium-ion transport, where the reaction fronts and kinetics are maintained within the neighbouring nanorod. Notably, this is the first time-resolved visualization of lithium-ion transport within and between individual nanorods, where the impact of oxygen deficiencies is delineated. Initially, fast lithium-ion transport is observed along the long axis with small net volume change, resulting in two lithiated silver hollandite phases distinguishable by orthorhombic distortion. Subsequently, a slower reaction front is observed, with formation of polyphase lithiated silver hollandite and face-centred-cubic silver metal with substantial volume expansion. These results indicate lithium-ion transport is not confined within a single nanorod and may provide a paradigm shift for one-dimensional tunnelled materials, particularly towards achieving high-rate capability.

Visualization of lithium-ion transport and phase evolution within and between manganese oxide nanorods

DOE PAGES

Xu, Feng; Wu, Lijun; Meng, Qingping; ...

2017-05-24

Multiple lithium-ion transport pathways and local phase changes upon lithiation in silver hollandite are revealed via in situ microscopy including electron diffraction, imaging and spectroscopy, coupled with density functional theory and phase field calculations. Here, we report unexpected inter-nanorod lithium-ion transport, where the reaction fronts and kinetics are maintained within the neighbouring nanorod. Notably, this is the first time-resolved visualization of lithium-ion transport within and between individual nanorods, where the impact of oxygen deficiencies is delineated. Initially, fast lithium-ion transport is observed along the long axis with small net volume change, resulting in two lithiated silver hollandite phases distinguishable bymore » orthorhombic distortion. As a result, a slower reaction front is observed, with formation of polyphase lithiated silver hollandite and face-centred-cubic silver metal with substantial volume expansion. Our results indicate lithium-ion transport is not confined within a single nanorod and may provide a paradigm shift for one-dimensional tunnelled materials, particularly towards achieving high-rate capability.« less

Energy-resolved attosecond interferometric photoemission from Ag(111) and Au(111) surfaces

NASA Astrophysics Data System (ADS)

Ambrosio, M. J.; Thumm, U.

2018-04-01

Photoelectron emission from solid surfaces induced by attosecond pulse trains into the electric field of delayed phase-coherent infrared (IR) pulses allows the surface-specific observation of energy-resolved electronic phase accumulations and photoemission delays. We quantum-mechanically modeled interferometric photoemission spectra from the (111) surfaces of Au and Ag, including background contributions from secondary electrons and direct emission by the IR pulse, and adjusted parameters of our model to energy-resolved photoelectron spectra recently measured at a synchrotron light source by Roth et al. [J. Electron Spectrosc. 224, 84 (2018), 10.1016/j.elspec.2017.05.008]. Our calculated spectra and photoelectron phase shifts are in fair agreement with the experimental data of Locher et al. [Optica 2, 405 (2015), 10.1364/OPTICA.2.000405]. Our model's not reproducing the measured energy-dependent oscillations of the Ag(111) photoemission phases may be interpreted as evidence for subtle band-structure effects on the final-state photoelectron-surface interaction not accounted for in our simulation.

Visualization of lithium-ion transport and phase evolution within and between manganese oxide nanorods

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

Xu, Feng; Wu, Lijun; Meng, Qingping

Multiple lithium-ion transport pathways and local phase changes upon lithiation in silver hollandite are revealed via in situ microscopy including electron diffraction, imaging and spectroscopy, coupled with density functional theory and phase field calculations. Here, we report unexpected inter-nanorod lithium-ion transport, where the reaction fronts and kinetics are maintained within the neighbouring nanorod. Notably, this is the first time-resolved visualization of lithium-ion transport within and between individual nanorods, where the impact of oxygen deficiencies is delineated. Initially, fast lithium-ion transport is observed along the long axis with small net volume change, resulting in two lithiated silver hollandite phases distinguishable bymore » orthorhombic distortion. As a result, a slower reaction front is observed, with formation of polyphase lithiated silver hollandite and face-centred-cubic silver metal with substantial volume expansion. Our results indicate lithium-ion transport is not confined within a single nanorod and may provide a paradigm shift for one-dimensional tunnelled materials, particularly towards achieving high-rate capability.« less

Q-band 4-state phase shifter in planar technology: Circuit design and performance analysis.

PubMed

Villa, E; Cagigas, J; Aja, B; de la Fuente, L; Artal, E

2016-09-01

A 30% bandwidth phase shifter with four phase states is designed to be integrated in a radio astronomy receiver. The circuit has two 90° out-of-phase microwave phase-shifting branches which are combined by Wilkinson power dividers. Each branch is composed of a 180° phase shifter and a band-pass filter. The 180° phase shifter is made of cascaded hybrid rings with microwave PIN diodes as switching devices. The 90° phase shift is achieved with the two band-pass filters. Experimental characterization has shown significant results, with average phase shift values of -90.7°, -181.7°, and 88.5° within the operation band, 35-47 GHz, and mean insertion loss of 7.4 dB. The performance of its integration in a polarimetric receiver for radio astronomy is analyzed, which validates the use of the presented phase shifter in such type of receiver.

Method for the manufacture of phase shifting masks for EUV lithography

DOEpatents

Stearns, Daniel G.; Sweeney, Donald W.; Mirkarimi, Paul B.; Barty, Anton

2006-04-04

A method for fabricating an EUV phase shift mask is provided that includes a substrate upon which is deposited a thin film multilayer coating that has a complex-valued reflectance. An absorber layer or a buffer layer is attached onto the thin film multilayer, and the thickness of the thin film multilayer coating is altered to introduce a direct modulation in the complex-valued reflectance to produce phase shifting features.

Basic Studies on High Pressure Air Plasmas

DTIC Science & Technology

2006-08-30

which must be added a 1.5 month salary to A. Bugayev for assistance in laser and optic techniques. 2 Part II Technical report Plasma-induced phase shift...two-wavelength heterodyne interferometry applied to atmospheric pressure air plasma 11.1 .A. Plasma-induced phase shift - Electron density...a driver, since the error on the frequency leads to an error on the phase shift. (c) Optical elements Mirrors Protected mirrors must be used to stand

Broadband one-dimensional photonic crystal wave plate containing single-negative materials.

PubMed

Chen, Yihang

2010-09-13

The properties of the phase shift of wave reflected from one-dimensional photonic crystals consisting of periodic layers of single-negative (permittivity- or permeability-negative) materials are demonstrated. As the incident angle increases, the reflection phase shift of TE wave decreases, while that of TM wave increases. The phase shifts of both polarized waves vary smoothly as the frequency changes across the photonic crystal stop band. Consequently, the difference between the phase shift of TE and that of TM wave could remain constant in a rather wide frequency range inside the stop band. These properties are useful to design wave plate or retarder which can be used in wide spectral band. In addition, a broadband photonic crystal quarter-wave plate is proposed.

Flexible digital modulation and coding synthesis for satellite communications

NASA Technical Reports Server (NTRS)

Vanderaar, Mark; Budinger, James; Hoerig, Craig; Tague, John

1991-01-01

An architecture and a hardware prototype of a flexible trellis modem/codec (FTMC) transmitter are presented. The theory of operation is built upon a pragmatic approach to trellis-coded modulation that emphasizes power and spectral efficiency. The system incorporates programmable modulation formats, variations of trellis-coding, digital baseband pulse-shaping, and digital channel precompensation. The modulation formats examined include (uncoded and coded) binary phase shift keying (BPSK), quatenary phase shift keying (QPSK), octal phase shift keying (8PSK), 16-ary quadrature amplitude modulation (16-QAM), and quadrature quadrature phase shift keying (Q squared PSK) at programmable rates up to 20 megabits per second (Mbps). The FTMC is part of the developing test bed to quantify modulation and coding concepts.

Quantum phase gate based on electromagnetically induced transparency in optical cavities

NASA Astrophysics Data System (ADS)

Borges, Halyne S.; Villas-Bôas, Celso J.

2016-11-01

We theoretically investigate the implementation of a quantum controlled-phase gate in a system constituted by a single atom inside an optical cavity, based on the electromagnetically induced transparency effect. First we show that a probe pulse can experience a π phase shift due to the presence or absence of a classical control field. Considering the interplay of the cavity-EIT effect and the quantum memory process, we demonstrated a controlled-phase gate between two single photons. To this end, first one needs to store a (control) photon in the ground atomic states. In the following, a second (target) photon must impinge on the atom-cavity system. Depending on the atomic state, this second photon will be either transmitted or reflected, acquiring different phase shifts. This protocol can then be easily extended to multiphoton systems, i.e., keeping the control photon stored, it may induce phase shifts in several single photons, thus enabling the generation of multipartite entangled states. We explore the relevant parameter space in the atom-cavity system that allows the implementation of quantum controlled-phase gates using the recent technologies. In particular, we have found a lower bound for the cooperativity of the atom-cavity system which enables the implementation of phase shift on single photons. The induced shift on the phase of a photonic qubit and the controlled-phase gate between single photons, combined with optical devices, enable one to perform universal quantum computation.

Phase estimation for magnetic resonance imaging near metal prostheses

NASA Astrophysics Data System (ADS)

Bones, Philip J.; King, Laura J.; Millane, Rick P.

2015-09-01

Magnetic resonance imaging (MRI) has the potential to be the best technique for assessing complications in patients with metal orthopedic implants. The presence of fat can obscure definition of the other soft tissues in MRI images, so fat suppression is often required. However, the performance of existing fat suppression techniques is inadequate near implants, due to very significant magnetic field perturbations induced by the metal. The three-point Dixon technique is potentially a method of choice as it is able to suppress fat in the presence of inhomogeneities, but the success of this technique depends on being able to accurately calculate the phase shift. This is generally done using phase unwrapping and/or iterative reconstruction algorithms. Most current phase unwrapping techniques assume that the phase function is slowly varying and phase differences between adjacent points are limited to less than π radians in magnitude. Much greater phase differences can be present near metal implants. We present our experience with two phase unwrapping techniques which have been adapted to use prior knowledge of the implant. The first method identifies phase discontinuities before recovering the phase along paths through the image. The second method employs a transform to find the least squares solution to the unwrapped phase. Simulation results indicate that the methods show promise.

SU-G-BRA-14: Dose in a Rigidly Moving Phantom with Jaw and MLC Compensation

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

Chao, E; Lucas, D

Purpose: To validate dose calculation for a rigidly moving object with jaw motion and MLC shifts to compensate for the motion in a TomoTherapy™ treatment delivery. Methods: An off-line version of the TomoTherapy dose calculator was extended to perform dose calculations for rigidly moving objects. A variety of motion traces were added to treatment delivery plans, along with corresponding jaw compensation and MLC shift compensation profiles. Jaw compensation profiles were calculated by shifting the jaws such that the center of the treatment beam moved by an amount equal to the motion in the longitudinal direction. Similarly, MLC compensation profiles weremore » calculated by shifting the MLC leaves by an amount that most closely matched the motion in the transverse direction. The same jaw and MLC compensation profiles were used during simulated treatment deliveries on a TomoTherapy system, and film measurements were obtained in a rigidly moving phantom. Results: The off-line TomoTherapy dose calculator accurately predicted dose profiles for a rigidly moving phantom along with jaw motion and MLC shifts to compensate for the motion. Calculations matched film measurements to within 2%/1 mm. Jaw and MLC compensation substantially reduced the discrepancy between the delivered dose distribution and the calculated dose with no motion. For axial motion, the compensated dose matched the no-motion dose within 2%/1mm. For transverse motion, the dose matched within 2%/3mm (approximately half the width of an MLC leaf). Conclusion: The off-line TomoTherapy dose calculator accurately computes dose delivered to a rigidly moving object, and accurately models the impact of moving the jaws and shifting the MLC leaf patterns to compensate for the motion. Jaw tracking and MLC leaf shifting can effectively compensate for the dosimetric impact of motion during a TomoTherapy treatment delivery.« less

Functional decoupling of melatonin suppression and circadian phase resetting in humans.

PubMed

Rahman, Shadab A; St Hilaire, Melissa A; Gronfier, Claude; Chang, Anne-Marie; Santhi, Nayantara; Czeisler, Charles A; Klerman, Elizabeth B; Lockley, Steven W

2018-06-01

There is assumed to be a monotonic association between melatonin suppression and circadian phase resetting induced by light exposure. We tested the association between melatonin suppression and phase resetting in humans. Sixteen young healthy participants received nocturnal bright light (∼9500 lux) exposure of continuous or intermittent patterns, and different durations ranging from 12 min to 6.5 h. Intermittent exposure patterns showed significant phase shifts with disproportionately less melatonin suppression. Each and every bright light stimulus in an intermittent exposure pattern induced a similar degree of melatonin suppression, but did not appear to cause an equal magnitude of phase shift. These results suggest that phase shifts and melatonin suppression are functionally independent such that one cannot be used as a proxy measure of the other. Continuous experimental light exposures show that, in general, the conditions that produce greater melatonin suppression also produce greater phase shift, leading to the assumption that one can be used as a proxy for the other. We tested this association in 16 healthy individuals who participated in a 9-day inpatient protocol by assessing melatonin suppression and phase resetting in response to a nocturnal light exposure (LE) of different patterns: (i) dim-light control (<3 lux; n = 6) or (ii) two 12-min intermittent bright light pulses (IBL) separated by 36 min of darkness (∼9500 lux; n = 10). We compared these results with historical data from additional LE patterns: (i) dim-light control (<3 lux; n = 11); (ii) single continuous bright light exposure of 12 min (n = 9), 1.0 h (n = 10) or 6.5 h (n = 6); or (iii) an IBL light pattern consisting of six 15-min pulses with 1.0 h dim-light recovery intervals between them during a total of 6.5 h (n = 7). All light exposure groups had significantly greater phase-delay shifts than the dim-light control condition (P < 0.0001). While a monotonic association between melatonin suppression and circadian phase shift was observed, intermittent exposure patterns showed significant phase shifts with disproportionately less melatonin suppression. Each and every IBL stimulus induced a similar degree of melatonin suppression, but did not appear to cause an equal magnitude of phase shift. These results suggest unique specificities in how light-induced phase shifts and melatonin suppression are mediated such that one cannot be used as a proxy measure of the other. © 2018 The Authors. The Journal of Physiology © 2018 The Physiological Society.

Inverse effects of flowing phase-shift nanodroplets and lipid-shelled microbubbles on subsequent cavitation during focused ultrasound exposures.

PubMed

Zhang, Siyuan; Cui, Zhiwei; Xu, Tianqi; Liu, Pan; Li, Dapeng; Shang, Shaoqiang; Xu, Ranxiang; Zong, Yujin; Niu, Gang; Wang, Supin; He, Xijing; Wan, Mingxi

2017-01-01

This paper compared the effects of flowing phase-shift nanodroplets (NDs) and lipid-shelled microbubbles (MBs) on subsequent cavitation during focused ultrasound (FUS) exposures. The cavitation activity was monitored using a passive cavitation detection method as solutions of either phase-shift NDs or lipid-shelled MBs flowed at varying velocities through a 5-mm diameter wall-less vessel in a transparent tissue-mimicking phantom when exposed to FUS. The intensity of cavitation for the phase-shift NDs showed an upward trend with time and cavitation for the lipid-shelled MBs grew to a maximum at the outset of the FUS exposure followed by a trend of decreases when they were static in the vessel. Meanwhile, the increase of cavitation for the phase-shift NDs and decrease of cavitation for the lipid-shelled MBs had slowed down when they flowed through the vessel. During two discrete identical FUS exposures, while the normalized inertial cavitation dose (ICD) value for the lipid-shelled MB solution was higher than that for the saline in the first exposure (p-value <0.05), it decreased to almost the same level in the second exposure. For the phase-shift NDs, the normalized ICD was 0.71 in the first exposure and increased to 0.97 in the second exposure. At a low acoustic power, the normalized ICD values for the lipid-shelled MBs tended to increase with increasing velocities from 5 to 30cm/s (r>0.95). Meanwhile, the normalized ICD value for the phase-shift NDs was 0.182 at a flow velocity of 5cm/s and increased to 0.188 at a flow velocity of 15cm/s. As the flow velocity increased to 20cm/s, the normalized ICD was 0.185 and decreased to 0.178 at a flow velocity of 30cm/s. At high acoustic power, the normalized ICD values for both the lipid-shelled MBs and the phase-shift NDs increased with increasing flow velocities from 5 to 30cm/s (r>0.95). The effects of the flowing phase-shift NDs vaporized into gas bubbles as cavitation nuclei on the subsequent cavitation were inverse to those of the flowing lipid-shelled MBs destroyed after focused ultrasound exposures. Copyright © 2016 Elsevier B.V. All rights reserved.

Chemical Shifts of the Carbohydrate Binding Domain of Galectin-3 from Magic Angle Spinning NMR and Hybrid Quantum Mechanics/Molecular Mechanics Calculations.

PubMed

Kraus, Jodi; Gupta, Rupal; Yehl, Jenna; Lu, Manman; Case, David A; Gronenborn, Angela M; Akke, Mikael; Polenova, Tatyana

2018-03-22

Magic angle spinning NMR spectroscopy is uniquely suited to probe the structure and dynamics of insoluble proteins and protein assemblies at atomic resolution, with NMR chemical shifts containing rich information about biomolecular structure. Access to this information, however, is problematic, since accurate quantum mechanical calculation of chemical shifts in proteins remains challenging, particularly for 15 N H . Here we report on isotropic chemical shift predictions for the carbohydrate recognition domain of microcrystalline galectin-3, obtained from using hybrid quantum mechanics/molecular mechanics (QM/MM) calculations, implemented using an automated fragmentation approach, and using very high resolution (0.86 Å lactose-bound and 1.25 Å apo form) X-ray crystal structures. The resolution of the X-ray crystal structure used as an input into the AF-NMR program did not affect the accuracy of the chemical shift calculations to any significant extent. Excellent agreement between experimental and computed shifts is obtained for 13 C α , while larger scatter is observed for 15 N H chemical shifts, which are influenced to a greater extent by electrostatic interactions, hydrogen bonding, and solvation.

Blind phase error suppression for color-encoded digital fringe projection profilometry

NASA Astrophysics Data System (ADS)

Ma, S.; Zhu, R.; Quan, C.; Li, B.; Tay, C. J.; Chen, L.

2012-04-01

Color-encoded digital fringe projection profilometry (CDFPP) has the advantage of fast speed, non-contact and full-field testing. It is one of the most important dynamic three-dimensional (3D) profile measurement techniques. However, due to factors such as color cross-talk and gamma distortion of electro-optical devices, phase errors arise when conventional phase-shifting algorithms with fixed phase shift values are utilized to retrieve phases. In this paper, a simple and effective blind phase error suppression approach based on isotropic n-dimensional fringe pattern normalization (INFPN) and carrier squeezing interferometry (CSI) is proposed. It does not require pre-calibration for the gamma and color-coupling coefficients or the phase shift values. Simulation and experimental works show that our proposed approach is able to effectively suppress phase errors and achieve accurate measurement results in CDFPP.

Spatial phase-shift dual-beam speckle interferometry.

PubMed

Gao, Xinya; Yang, Lianxiang; Wang, Yonghong; Zhang, Boyang; Dan, Xizuo; Li, Junrui; Wu, Sijin

2018-01-20

The spatial phase-shift technique has been successfully applied to an out-of-plane speckle interferometry system. Its application to a pure in-plane sensitive system has not been reported yet. This paper presents a novel optical configuration that enables the application of the spatial phase-shift technique to pure in-plane sensitive dual-beam speckle interferometry. The new spatial phase-shift dual-beam speckle interferometry (SPS-DBSP) uses a dual-beam in-plane electronic speckle pattern interferometry configuration with individual aperture shears, avoiding the interference in the object plane by the use of a low-coherence source, and different optical paths. The measured object is illuminated by two incoherent beams that are generated by a delay line, which is larger than the coherence length of the laser. The two beams reflected from the object surface interfere with each other at the CCD plane because of different optical paths. A spatial phase shift is introduced by the angle between the two apertures when they are mapped to the same optical axis. The phase of the in-plane deformation can directly be extracted from the speckle patterns by the Fourier transform method. The capability of SPS-DBSI is demonstrated by theoretical discussion as well as experiments.

Solvation Dynamics in Different Phases of the Lyotropic Liquid Crystalline System.

PubMed

Roy, Bibhisan; Satpathi, Sagar; Gavvala, Krishna; Koninti, Raj Kumar; Hazra, Partha

2015-09-03

Reverse hexagonal (HII) liquid crystalline material based on glycerol monooleate (GMO) is considered as a potential carrier for drugs and other important biomolecules due to its thermotropic phase change and excellent morphology. In this work, the dynamics of encapsulated water, which plays important role in stabilization and formation of reverse hexagonal mesophase, has been investigated by time dependent Stokes shift method using Coumarin-343 as a solvation probe. The formation of the reverse hexagonal mesophase (HII) and transformation to the L2 phase have been monitored using small-angle X-ray scattering and polarized light microscopy experiments. REES studies suggest the existence of different polar regions in both HII and L2 systems. The solvation dynamics study inside the reverse hexagonal (HII) phase reveals the existence of two different types of water molecules exhibiting dynamics on a 120-900 ps time scale. The estimated diffusion coefficients of both types of water molecules obtained from the observed dynamics are in good agreement with the measured diffusion coefficient collected from the NMR study. The calculated activation energy is found to be 2.05 kcal/mol, which is associated with coupled rotational-translational water relaxation dynamics upon the transition from "bound" to "quasi-free" state. The observed ∼2 ns faster dynamics of the L2 phase compared to the HII phase may be associated with both the phase transformation as well as thermotropic effect on the relaxation process. Microviscosities calculated from time-resolved anisotropy studies infer that the interface is almost ∼22 times higher viscous than the central part of the cylinder. Overall, our results reveal the unique dynamical features of water inside the cylinder of reverse hexagonal and inverse micellar phases.

Effects of modulation phase on profile analysis in normal-hearing and hearing-impaired listeners

NASA Astrophysics Data System (ADS)

Rogers, Deanna; Lentz, Jennifer

2003-04-01

The ability to discriminate between sounds with different spectral shapes in the presence of amplitude modulation was measured in normal-hearing and hearing-impaired listeners. The standard stimulus was the sum of equal-amplitude modulated tones, and the signal stimulus was generated by increasing the level of half the tones (up components) and decreasing the level of half the tones (down components). The down components had the same modulation phase, and a phase shift was applied to the up components to encourage segregation from the down tones. The same phase shift was used in both standard and signal stimuli. Profile-analysis thresholds were measured as a function of the phase shift between up and down components. The phase shifts were 0, 30, 45, 60, 90, and 180 deg. As expected, thresholds were lowest when all tones had the same modulation phase and increased somewhat with increasing phase disparity. This small increase in thresholds was similar for both groups. These results suggest that hearing-impaired listeners are able to use modulation phase to group sounds in a manner similar to that of normal listeners. [Work supported by NIH (DC 05835).

Accounting for phase drifts in SSVEP-based BCIs by means of biphasic stimulation.

PubMed

Wu, Hung-Yi; Lee, Po-Lei; Chang, Hsiang-Chih; Hsieh, Jen-Chuen

2011-05-01

This study proposes a novel biphasic stimulation technique to solve the issue of phase drifts in steady-state visual evoked potential (SSVEPs) in phase-tagged systems. Phase calibration was embedded in stimulus sequences using a biphasic flicker, which is driven by a sequence with alternating reference and phase-shift states. Nine subjects were recruited to participate in off-line and online tests. Signals were bandpass filtered and segmented by trigger signals into reference and phase-shift epochs. Frequency components of SSVEP in the reference and phase-shift epochs were extracted using the Fourier method with a 50% overlapped sliding window. The real and imaginary parts of the SSVEP frequency components were organized into complex vectors in each epoch. Hotelling's t-square test was used to determine the significances of nonzero mean vectors. The rejection of noisy data segments and the validation of gaze detections were made based on p values. The phase difference between the valid mean vectors of reference and phase-shift epochs was used to identify user's gazed targets in this system. Data showed an average information transfer rate of 44.55 and 38.21 bits/min in off-line and online tests, respectively. © 2011 IEEE

Carbachol Induces Phase-dependent Phase Shifts of Per1 Transcription Rhythms in Cultured Suprachiasmatic Nucleus Slices.

PubMed

Dojo, Kumiko; Yamaguchi, Yoshiaki; Fustin, Jean-Michel; Doi, Masao; Kobayashi, Masaki; Okamura, Hitoshi

2017-04-01

Among nonphotic stimulants, a classic cholinergic agonist, carbachol, is known to have a strong and unique phase-resetting effect on the circadian clock: Intracerebroventricular carbachol treatment causes phase delays during the subjective early night and phase advances in the subjective late night, but the effects of this drug on the suprachiasmatic nucleus (SCN) in vivo and in vitro are still controversial. In the present study, we succeeded in reproducing the biphasic phase-shifting effect of carbachol on clock gene expression in organotypic SCN slices prepared from mice carrying a Per1-promoter fused luciferase gene ( Per1-luc). Since this biphasic effect of carbachol in Per1-luc SCN was prevented by atropine but not by mecamylamine, we concluded that these phase shifts were muscarinic receptor-dependent. Next, we analyzed the expression of muscarinic receptors in the SCN by in situ hybridization and found that M3 and M4 subtypes were expressed in SCN cells. These signals appeared neonatally and reached adult levels at postnatal day 10. Together, these findings suggest that carbachol has a phase-dependent phase-shifting effect on the SCN clock through muscarinic receptor subtypes expressed in the SCN.

Frequency shift of the Bragg and Non-Bragg backscattering from periodic water wave

NASA Astrophysics Data System (ADS)

Wen, Biyang; Li, Ke

2016-08-01

Doppler effect is used to measure the relative speed of a moving target with respect to the radar, and is also used to interpret the frequency shift of the backscattering from the ocean wave according to the water-wave phase velocity. The widely known relationship between the Doppler shift and the water-wave phase velocity was deduced from the scattering measurements data collected from actual sea surface, and has not been verified under man-made conditions. Here we show that this ob- served frequency shift of the scattering data from the Bragg and Non-Bragg water wave is not the Doppler shift corresponding to the water-wave phase velocity as commonly believed, but is the water-wave frequency and its integral multiple frequency. The power spectrum of the backscatter from the periodic water wave consists of serials discrete peaks, which is equally spaced by water wave frequency. Only when the water-wave length is the integer multiples of the Bragg wave, and the radar range resolution is infinite, does the frequency shift of the backscattering mathematically equal the Doppler shift according to the water-wave phase velocity.

An Extrinsic Fabry-Perot Interferometric Sensor using Intermodal Phase Shifting and Demultiplexing of the Propagating Modes in a Few-Mode Fiber

NASA Astrophysics Data System (ADS)

Chatterjee, Julius

This dissertation demonstrates a fiber-optic phase shifted Fabry-Perot interferometer (PS-FPI) as a sensor using modal demultiplexing. Single wavelength Fabry-Perot interferometers suffer from fringe ambiguity and loss of sensitivity at fringe extremes. These hindrances cause it to be a secondary choice when being selected for a measurement task at hand, and more often than not, white light based sensors are selected in favor of the single wavelength Fabry-Perot sensors. This work aims to introduce a technique involving the demultiplexing of the propagating linearly polarized (LP) modes in few mode fibers to obtain two fringe systems from the same sensing cavity. This results in a few-mode interferometer that effectively has two to three orders of magnitude higher perturbation sensitivity than a conventional few mode interferometer for the same sensing region. In this work, two different modal demultiplexing techniques (MD) are used to demodulate the propagating modes and to obtain two fringe sets. These output fringe sets are shifted in phase with respect to each other by a phase shift due to the propagation of the modes in the fiber-optic layout. A method of controlling this phase shift by straining a length of a two mode fiber located separate from the PS-FPI cavity is demonstrated and corresponding changes in phase shifts are shown. The results show a controllable phase shift for both the MD techniques, which is useful in sensing by permitting quadrature demodulation of interferometric fringes and also results in a novel few-mode sensing system having more than two orders of magnitude sensitivity than conventional few-mode devices.

Cross-phase modulation spectral shifting: nonlinear phase contrast in a pump-probe microscope

PubMed Central

Wilson, Jesse W.; Samineni, Prathyush; Warren, Warren S.; Fischer, Martin C.

2012-01-01

Microscopy with nonlinear phase contrast is achieved by a simple modification to a nonlinear pump-probe microscope. The technique measures cross-phase modulation by detecting a pump-induced spectral shift in the probe pulse. Images with nonlinear phase contrast are acquired both in transparent and absorptive media. In paraffin-embedded biopsy sections, cross-phase modulation complements the chemically-specific pump-probe images with structural context. PMID:22567580

Robust dynamic 3-D measurements with motion-compensated phase-shifting profilometry

NASA Astrophysics Data System (ADS)

Feng, Shijie; Zuo, Chao; Tao, Tianyang; Hu, Yan; Zhang, Minliang; Chen, Qian; Gu, Guohua

2018-04-01

Phase-shifting profilometry (PSP) is a widely used approach to high-accuracy three-dimensional shape measurements. However, when it comes to moving objects, phase errors induced by the movement often result in severe artifacts even though a high-speed camera is in use. From our observations, there are three kinds of motion artifacts: motion ripples, motion-induced phase unwrapping errors, and motion outliers. We present a novel motion-compensated PSP to remove the artifacts for dynamic measurements of rigid objects. The phase error of motion ripples is analyzed for the N-step phase-shifting algorithm and is compensated using the statistical nature of the fringes. The phase unwrapping errors are corrected exploiting adjacent reliable pixels, and the outliers are removed by comparing the original phase map with a smoothed phase map. Compared with the three-step PSP, our method can improve the accuracy by more than 95% for objects in motion.

Dual-phase-shift spherical Fizeau interferometer for reduction of noise due to internally scattered light

NASA Astrophysics Data System (ADS)

Kumagai, Toshiki; Hibino, Kenichi; Nagaike, Yasunari

2017-03-01

Internally scattered light in a Fizeau interferometer is generated from dust, defects, imperfect coating of the optical components, and multiple reflections inside the collimator lens. It produces additional noise fringes in the observed interference image and degrades the repeatability of the phase measurement. A method to reduce the phase measurement error is proposed, in which the test surface is mechanically translated between each phase measurement in addition to an ordinary phase shift of the reference surface. It is shown that a linear combination of several measured phases at different test surface positions can reduce the phase errors caused by the scattered light. The combination can also compensate for the nonuniformity of the phase shift that occurs in spherical tests. A symmetric sampling of the phase measurements can cancel the additional primary spherical aberrations that occur when the test surface is out of the null position of the confocal configuration.

Real-Time and High-Resolution 3D Face Measurement via a Smart Active Optical Sensor.

PubMed

You, Yong; Shen, Yang; Zhang, Guocai; Xing, Xiuwen

2017-03-31

The 3D measuring range and accuracy in traditional active optical sensing, such as Fourier transform profilometry, are influenced by the zero frequency of the captured patterns. The phase-shifting technique is commonly applied to remove the zero component. However, this phase-shifting method must capture several fringe patterns with phase difference, thereby influencing the real-time performance. This study introduces a smart active optical sensor, in which a composite pattern is utilized. The composite pattern efficiently combines several phase-shifting fringes and carrier frequencies. The method can remove zero frequency by using only one pattern. Model face reconstruction and human face measurement were employed to study the validity and feasibility of this method. Results show no distinct decrease in the precision of the novel method unlike the traditional phase-shifting method. The texture mapping technique was utilized to reconstruct a nature-appearance 3D digital face.

Real-Time and High-Resolution 3D Face Measurement via a Smart Active Optical Sensor

PubMed Central

You, Yong; Shen, Yang; Zhang, Guocai; Xing, Xiuwen

2017-01-01

The 3D measuring range and accuracy in traditional active optical sensing, such as Fourier transform profilometry, are influenced by the zero frequency of the captured patterns. The phase-shifting technique is commonly applied to remove the zero component. However, this phase-shifting method must capture several fringe patterns with phase difference, thereby influencing the real-time performance. This study introduces a smart active optical sensor, in which a composite pattern is utilized. The composite pattern efficiently combines several phase-shifting fringes and carrier frequencies. The method can remove zero frequency by using only one pattern. Model face reconstruction and human face measurement were employed to study the validity and feasibility of this method. Results show no distinct decrease in the precision of the novel method unlike the traditional phase-shifting method. The texture mapping technique was utilized to reconstruct a nature-appearance 3D digital face. PMID:28362349

Manipulation of wavefront using helical metamaterials.

PubMed

Yang, Zhenyu; Wang, Zhaokun; Tao, Huan; Zhao, Ming

2016-08-08

Helical metamaterials, a kind of 3-dimensional structure, has relatively strong coupling effect among the helical nano-wires. Therefore, it is expected to be a good candidate for generating phase shift and controlling wavefront with high efficiency. In this paper, using the finite-difference time-domain (FDTD) method, we studied the phase shift properties in the helical metamaterials. It is found that the phase shift occurs for both transmitted and reflected light waves. And the maximum of reflection coefficients can reach over 60%. In addition, the phase shift (φ) is dispersionless in the range of 600 nm to 860 nm, that is, it is only dominated by the initial angle (θ) of the helix. The relationship between them is φ = ± 2θ. Using Jones calculus we give a further explanation for these properties. Finally, by arranging the helixes in an array with a constant phase gradient, the phenomenon of anomalous refraction was also observed in a broad wavelength range.

Isochronic carrier-envelope phase-shift compensator.

PubMed

Görbe, Mihaly; Osvay, Karoly; Grebing, Christian; Steinmeyer, Günter

2008-11-15

A concept for orthogonal control of phase and group delay inside a laser cavity by a specially designed compensator assembly is discussed. Similar to the construction of variable polarization retarder, this assembly consists of two thin wedge prisms made from appropriately chosen optical materials. Being shifted as a whole, the assembly allows changing the phase delay with no influence on the cavity round-trip time, whereas relative shifting of the prisms enables adjustment of the latter. This scheme is discussed theoretically and verified experimentally, indicating a factor 30 reduction of the influence on the repetition rate compared to the commonly used silica wedge pair. For a 2pi adjustment of the carrier-envelope phase shift, single-pass timing differences are reduced to the single-femtosecond regime. With negligible distortions of timing and dispersion, the described compensator device greatly simplifies carrier-envelope phase control and experiments in extreme nonlinear optics. Copyright (c) 2008 Optical Society of America.

The Phase Shift in the Jumping Ring

NASA Astrophysics Data System (ADS)

Jeffery, Rondo N.; Amiri, Farhang

2008-09-01

The popular physics demonstration experiment known as Thomson's Jumping Ring (JR) has been variously explained as a simple example of Lenz's law, or as the result of a phase shift of the ring current relative to the induced emf. The failure of the first-quadrant Lenz's law explanation is shown by the time the ring takes to jump and by levitation. A method is given for measuring the phase shift with results for aluminum and brass rings.

PHASE-SHIFT, STIMULI-RESPONSIVE PERFLUOROCARBON NANODROPLETS FOR DRUG DELIVERY TO CANCER

PubMed Central

2012-01-01

This review focuses on phase-shift perfluorocarbon nanoemulsions whose action depends on an ultrasound-triggered phase shift from a liquid to gas state. For drug-loaded perfluorocarbon nanoemulsions, microbubbles are formed under the action of tumor-directed ultrasound and drug is released locally into tumor volume in this process. This review covers in detail mechanisms involved in the droplet-to-bubble transition as well as mechanisms of ultrasound-mediated drug delivery. PMID:22730185

Doppler-corrected differential detection system

NASA Technical Reports Server (NTRS)

Simon, Marvin K. (Inventor); Divsalar, Dariush (Inventor)

1991-01-01

Doppler in a communication system operating with a multiple differential phase-shift-keyed format (MDPSK) creates an adverse phase shift in an incoming signal. An open loop frequency estimation is derived from a Doppler-contaminated incoming signal. Based upon the recognition that, whereas the change in phase of the received signal over a full symbol contains both the differentially encoded data and the Doppler induced phase shift, the same change in phase over half a symbol (within a given symbol interval) contains only the Doppler induced phase shift, and the Doppler effect can be estimated and removed from the incoming signal. Doppler correction occurs prior to the receiver's final output of decoded data. A multiphase system can operate with two samplings per symbol interval at no penalty in signal-to-noise ratio provided that an ideal low pass pre-detection filter is employed, and two samples, at 1/4 and 3/4 of the symbol interval T sub s, are taken and summed together prior to incoming signal data detection.

The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2,4-dichloroaniline by ab initio HF and density functional methods.

PubMed

Sundaraganesan, N; Karpagam, J; Sebastian, S; Cornard, J P

2009-07-01

In this work, the experimental and theoretical study on molecular structure and vibrational spectra of 2,4-dichloroaniline (2,4-DCA) were studied. The Fourier transform infrared (gas phase) and Fourier transform Raman spectra of 2,4-DCA were recorded. The molecular geometry and vibrational frequencies of 2,4-DCA in the ground state were calculated by using the Hartree-Fock (HF) and density functional (DF) methods (BLYP, B3LYP and SVWN) with 6-31G(d,p) as basis set. Comparison of the observed fundamental vibrational frequencies of 2,4-DCA with calculated results by HF and density functional methods indicates that BLYP is superior to other methods for molecular vibrational problems. The difference between the observed and scaled wave number values of most of the fundamentals is very small. The electric dipole moment (micro) and the first hyperpolarizability (beta) values of the investigated molecule were computed using ab initio quantum mechanical calculations. The calculated results also show that the 2,4-DCA molecule might have microscopic nonlinear optical (NLO) behavior with non-zero values. Natural atomic charges of 2,4-DCA and 4-chloroaniline was calculated and compared. The isotropic chemical shift computed by (13)C NMR analyses also shows good agreement with experimental observations. The theoretically predicted FTIR and FT-Raman spectra of the title molecule have been constructed.

An Evaluation of a Phase-Lag Boundary Condition for Francis Hydroturbine Simulations Using a Pressure-Based Solver

NASA Astrophysics Data System (ADS)

Wouden, Alex; Cimbala, John; Lewis, Bryan

2014-11-01

While the periodic boundary condition is useful for handling rotational symmetry in many axisymmetric geometries, its application fails for analysis of rotor-stator interaction (RSI) in multi-stage turbomachinery flow. The inadequacy arises from the underlying geometry where the blade counts per row differ, since the blade counts are crafted to deter the destructive harmonic forces of synchronous blade passing. Therefore, to achieve the computational advantage of modeling a single blade passage per row while preserving the integrity of the RSI, a phase-lag boundary condition is adapted to OpenFOAM® software's incompressible pressure-based solver. The phase-lag construct is accomplished through restating the implicit periodic boundary condition as a constant boundary condition that is updated at each time step with phase-shifted data from the coupled cells adjacent to the boundary. Its effectiveness is demonstrated using a typical Francis hydroturbine modeled as single- and double-passages with phase-lag boundary conditions. The evaluation of the phase-lag condition is based on the correspondence of the overall computational performance and the calculated flow parameters of the phase-lag simulations with those of a baseline full-wheel simulation. Funded in part by DOE Award Number: DE-EE0002667.

A high accuracy ultrasonic distance measurement system using binary frequency shift-keyed signal and phase detection

NASA Astrophysics Data System (ADS)

Huang, S. S.; Huang, C. F.; Huang, K. N.; Young, M. S.

2002-10-01

A highly accurate binary frequency shift-keyed (BFSK) ultrasonic distance measurement system (UDMS) for use in isothermal air is described. This article presents an efficient algorithm which combines both the time-of-flight (TOF) method and the phase-shift method. The proposed method can obtain larger range measurement than the phase-shift method and also get higher accuracy compared with the TOF method. A single-chip microcomputer-based BFSK signal generator and phase detector was designed to record and compute the TOF, two phase shifts, and the resulting distance, which were then sent to either an LCD to display or a PC to calibrate. Experiments were done in air using BFSK with the frequencies of 40 and 41 kHz. Distance resolution of 0.05% of the wavelength corresponding to the frequency of 40 kHz was obtained. The range accuracy was found to be within ±0.05 mm at a range of over 6000 mm. The main advantages of this UDMS system are high resolution, low cost, narrow bandwidth requirement, and ease of implementation.

Two solitons oblique collision in anisotropic non-extensive dusty plasma

NASA Astrophysics Data System (ADS)

El-Labany, S. K.; El-Taibany, W. F.; Behery, E. E.; Fouda, S. M.

2017-03-01

Using an extended Poincaré-Lighthill-Kue method, the oblique collision of two dust acoustic solitons (DASs) in a magnetized non-extensive plasma with the effect of dust pressure anisotropy is studied. The dust fluid is supposed to have an arbitrary charge. A couple of Korteweg-de Vries (KdV) equations are derived for the colliding DASs. The phase shift of each soliton is obtained. It is found that the dust pressure anisotropy, the non-extensive parameter for electrons and ions, plays an important role in determining the collision phase shifts. The present results show that, for the negative dust case, the phase shift of the first soliton decreases, while that of the second soliton increases as either the dust pressure ratio increases or the ion non-extensive parameter decreases. On the other hand, for the positive dust case, the phase shift of the first soliton decreases, while the phase shift of the second soliton increases as either the dust pressure ratio or the ion non-extensive parameter increases. The application of the present findings to some dusty plasma phenomena occurring in space and laboratory plasmas is briefly discussed.

Analytical results for a conditional phase shift between single-photon pulses in a nonlocal nonlinear medium

NASA Astrophysics Data System (ADS)

Viswanathan, Balakrishnan; Gea-Banacloche, Julio

2017-04-01

We analyze a recent scheme proposed by Xia et al. to induce a conditional phase shift between two single-photon pulses by having them propagate at different speeds through a nonlinear medium with a nonlocal response. We have obtained an analytical solution for the case they considered, which supports their claim that a π phase shift with unit fidelity is possible in principle. We discuss the conditions that have to be met and the challenges and opportunities that this might present to the realization of a single-photon conditional phase gate.

Phase-shifting interference microscope with extendable field of measurement

NASA Astrophysics Data System (ADS)

Lin, Shyh-Tsong; Hsu, Wei-Feng; Wang, Ming-Shiang

2018-04-01

An innovative phase-shifting interference microscope aimed at extending the field of measurement is proposed in this paper. The microscope comprises a light source module, a phase modulation module, and an interferometric module, which reconstructs the micro-structure contours of samples using the five-step phase-shifting algorithm. This paper discusses the measurement theory and outlines the configuration, experimental setup, and experimental results obtained using the proposed interference microscope. The results confirm the efficacy of the microscope, achieving a standard deviation of 2.4 nm from a step height of 86.2 nm in multiple examinations.

Optimal control of the gear shifting process for shift smoothness in dual-clutch transmissions

NASA Astrophysics Data System (ADS)

Li, Guoqiang; Görges, Daniel

2018-03-01

The control of the transmission system in vehicles is significant for the driving comfort. In order to design a controller for smooth shifting and comfortable driving, a dynamic model of a dual-clutch transmission is presented in this paper. A finite-time linear quadratic regulator is proposed for the optimal control of the two friction clutches in the torque phase for the upshift process. An integral linear quadratic regulator is introduced to regulate the relative speed difference between the engine and the slipping clutch under the optimization of the input torque during the inertia phase. The control objective focuses on smoothing the upshift process so as to improve the driving comfort. Considering the available sensors in vehicles for feedback control, an observer design is presented to track the immeasurable variables. Simulation results show that the jerk can be reduced both in the torque phase and inertia phase, indicating good shift performance. Furthermore, compared with conventional controllers for the upshift process, the proposed control method can reduce shift jerk and improve shift quality.

Quantum-classical boundary for precision optical phase estimation

NASA Astrophysics Data System (ADS)

Birchall, Patrick M.; O'Brien, Jeremy L.; Matthews, Jonathan C. F.; Cable, Hugo

2017-12-01

Understanding the fundamental limits on the precision to which an optical phase can be estimated is of key interest for many investigative techniques utilized across science and technology. We study the estimation of a fixed optical phase shift due to a sample which has an associated optical loss, and compare phase estimation strategies using classical and nonclassical probe states. These comparisons are based on the attainable (quantum) Fisher information calculated per number of photons absorbed or scattered by the sample throughout the sensing process. We find that for a given number of incident photons upon the unknown phase, nonclassical techniques in principle provide less than a 20 % reduction in root-mean-square error (RMSE) in comparison with ideal classical techniques in multipass optical setups. Using classical techniques in a different optical setup that we analyze, which incorporates additional stages of interference during the sensing process, the achievable reduction in RMSE afforded by nonclassical techniques falls to only ≃4 % . We explain how these conclusions change when nonclassical techniques are compared to classical probe states in nonideal multipass optical setups, with additional photon losses due to the measurement apparatus.

Fluorescence molecular imaging system with a novel mouse surface extraction method and a rotary scanning scheme

NASA Astrophysics Data System (ADS)

Zhao, Yue; Zhu, Dianwen; Baikejiang, Reheman; Li, Changqing

2015-03-01

We have developed a new fluorescence molecular tomography (FMT) imaging system, in which we utilized a phase shifting method to extract the mouse surface geometry optically and a rotary laser scanning approach to excite fluorescence molecules and acquire fluorescent measurements on the whole mouse body. Nine fringe patterns with a phase shifting of 2π/9 are projected onto the mouse surface by a projector. The fringe patterns are captured using a webcam to calculate a phase map that is converted to the geometry of the mouse surface with our algorithms. We used a DigiWarp approach to warp a finite element mesh of a standard digital mouse to the measured mouse surface thus the tedious and time-consuming procedure from a point cloud to mesh is avoided. Experimental results indicated that the proposed method is accurate with errors less than 0.5 mm. In the FMT imaging system, the mouse is placed inside a conical mirror and scanned with a line pattern laser that is mounted on a rotation stage. After being reflected by the conical mirror, the emitted fluorescence photons travel through central hole of the rotation stage and the band pass filters in a motorized filter wheel, and are collected by a CCD camera. Phantom experimental results of the proposed new FMT imaging system can reconstruct the target accurately.

Tunable absorption resonances in the ultraviolet for InP nanowire arrays.

PubMed

Aghaeipour, Mahtab; Anttu, Nicklas; Nylund, Gustav; Samuelson, Lars; Lehmann, Sebastian; Pistol, Mats-Erik

2014-11-17

The ability to tune the photon absorptance spectrum is an attracting way of tailoring the response of devices like photodetectors and solar cells. Here, we measure the reflectance spectra of InP substrates patterned with arrays of vertically standing InP nanowires. Using the reflectance spectra, we calculate and analyze the corresponding absorptance spectra of the nanowires. We show that we can tune absorption resonances for the nanowire arrays into the ultraviolet by decreasing the diameter of the nanowires. When we compare our measurements with electromagnetic modeling, we generally find good agreement. Interestingly, the remaining differences between modeled and measured spectra are attributed to a crystal-phase dependence in the refractive index of InP. Specifically, we find indication of significant differences in the refractive index between the modeled zinc-blende InP nanowires and the measured wurtzite InP nanowires in the ultraviolet. We believe that such crystal-phase dependent differences in the refractive index affect the possibility to excite optical resonances in the large wavelength range of 345 < λ < 390 nm. To support this claim, we investigated how resonances in nanostructures can be shifted in wavelength by geometrical tuning. We find that dispersion in the refractive index can dominate over geometrical tuning and stop the possibility for such shifting. Our results open the door for using crystal-phase engineering to optimize the absorption in InP nanowire-based solar cells and photodetectors.

Central depression of nuclear charge density distribution

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

Chu Yanyun; Ren Zhongzhou; Center of Theoretical Nuclear Physics, National Laboratory of Heavy-Ion Accelerator, Lanzhou 730000

The center-depressed nuclear charge distributions are investigated with the parametrized distribution and the relativistic mean-field theory, and their corresponding charge form factors are worked out with the phase shift analysis method. The central depression of nuclear charge distribution of {sup 46}Ar and {sup 44}S is supported by the relativistic mean-field calculation. According to the calculation, the valence protons in {sup 46}Ar and {sup 44}S prefer to occupy the 1d{sub 3/2} state rather than the 2s{sub 1/2} state, which is different from that in the less neutron-rich argon and sulfur isotopes. As a result, the central proton densities of {sup 46}Armore » and {sup 44}S are highly depressed, and so are their central charge densities. The charge form factors of some argon and sulfur isotopes are presented, and the minima of the charge form factors shift upward and inward when the central nuclear charge distributions are more depressed. Besides, the effect of the central depression on the charge form factors is studied with a parametrized distribution, when the root-mean-square charge radii remain constant.« less

Time averaging of NMR chemical shifts in the MLF peptide in the solid state.

PubMed

De Gortari, Itzam; Portella, Guillem; Salvatella, Xavier; Bajaj, Vikram S; van der Wel, Patrick C A; Yates, Jonathan R; Segall, Matthew D; Pickard, Chris J; Payne, Mike C; Vendruscolo, Michele

2010-05-05

Since experimental measurements of NMR chemical shifts provide time and ensemble averaged values, we investigated how these effects should be included when chemical shifts are computed using density functional theory (DFT). We measured the chemical shifts of the N-formyl-L-methionyl-L-leucyl-L-phenylalanine-OMe (MLF) peptide in the solid state, and then used the X-ray structure to calculate the (13)C chemical shifts using the gauge including projector augmented wave (GIPAW) method, which accounts for the periodic nature of the crystal structure, obtaining an overall accuracy of 4.2 ppm. In order to understand the origin of the difference between experimental and calculated chemical shifts, we carried out first-principles molecular dynamics simulations to characterize the molecular motion of the MLF peptide on the picosecond time scale. We found that (13)C chemical shifts experience very rapid fluctuations of more than 20 ppm that are averaged out over less than 200 fs. Taking account of these fluctuations in the calculation of the chemical shifts resulted in an accuracy of 3.3 ppm. To investigate the effects of averaging over longer time scales we sampled the rotameric states populated by the MLF peptides in the solid state by performing a total of 5 micros classical molecular dynamics simulations. By averaging the chemical shifts over these rotameric states, we increased the accuracy of the chemical shift calculations to 3.0 ppm, with less than 1 ppm error in 10 out of 22 cases. These results suggests that better DFT-based predictions of chemical shifts of peptides and proteins will be achieved by developing improved computational strategies capable of taking into account the averaging process up to the millisecond time scale on which the chemical shift measurements report.

Carrier recovery techniques on satellite mobile channels

NASA Technical Reports Server (NTRS)

Vucetic, B.; Du, J.

1990-01-01

An analytical method and a stored channel model were used to evaluate error performance of uncoded quadrature phase shift keying (QPSK) and M-ary phase shift keying (MPSK) trellis coded modulation (TCM) over shadowed satellite mobile channels in the presence of phase jitter for various carrier recovery techniques.

Radio Frequency Compatibility Evaluation of S Band Navigation Signals for Future BeiDou

PubMed Central

Sun, Yanbo; Xue, Rui; Zhao, Danfeng; Wang, Dun

2017-01-01

With L band frequency allocations for satellite navigation getting more crowded, S band (2483.5–2500 MHz) is already allocated for navigation services, where Globalstar broadcasts downlink communications to user terminals. The Indian Regional Navigation Satellite System (IRNSS) is transmitting navigation signals and Galileo exploits some potential signals in S band. Also, several candidate S band signals based on binary offset carrier (BOC), binary phase shift keying (BPSK), continuous phase modulation (CPM) and minimum shift keying-BOC (MSK-BOC) are suggested for BeiDou system (BDS). In quite narrow S band, mutual interference among these systems is inevitable, thus the compatibility issue is particularly significant for S band signal design. To explore desired S band signals for BDS, the paper firstly describes a comprehensive compatibility evaluation methods based on effective carrier-to-noise ratio degradation for acquisition and code tracking. Then a real simulation is established using space constellations, modulation schemes and received power. Finally, the worst mutual interference of BDS candidate signals with Galileo, IRNSS and Globalstar is calculated and compared. The results indicate that CPM signal is easier to allow peaceful coexistence of other systems with minimal mutual interference in S band compared to other BDS candidates. PMID:28475142

Measurement of dew droplets in initial deposition at dew point by using a phase-shift interference microscope

NASA Astrophysics Data System (ADS)

Matsumoto, Shigeaki; Toyooka, Satoru; Hoshino, Mitsuo

2002-09-01

In order to measure the total mass per unit area of dew droplets deposited on a metal plate in the dew-point hygrometer, the shape of a dew droplet deposited on a copper plate was measured accurately by using an interference microscope that employed a phase-shift technique. The microscope was constructed by adding a piezoelectric transducer to an usual interference microscope. A simple method that uses a conventional speaker horn and an optical fiber cable was introduced to depress speckle noise. The shape of a dew droplet deposited on the copper plate surface with 0.1 μm in average roughness was measured with an accuracy of +/-3nm. The mass of a dew droplet could be calculated numerically from the volume of its shape and was of the order of 10-9 g. The total mass of dew droplets deposited per unit area and the deposition velocity were obtained under a gentle wind. The total mass was the order of 10-5 g/cm2 at the beginning of deposition and the deposition velocity was ranged from 2x10-6 to 6x10-5 g/cm2.min.

Radio Frequency Compatibility Evaluation of S Band Navigation Signals for Future BeiDou.

PubMed

Sun, Yanbo; Xue, Rui; Zhao, Danfeng; Wang, Dun

2017-05-05

With L band frequency allocations for satellite navigation getting more crowded, S band (2483.5-2500 MHz) is already allocated for navigation services, where Globalstar broadcasts downlink communications to user terminals. The Indian Regional Navigation Satellite System (IRNSS) is transmitting navigation signals and Galileo exploits some potential signals in S band. Also, several candidate S band signals based on binary offset carrier (BOC), binary phase shift keying (BPSK), continuous phase modulation (CPM) and minimum shift keying-BOC (MSK-BOC) are suggested for BeiDou system (BDS). In quite narrow S band, mutual interference among these systems is inevitable, thus the compatibility issue is particularly significant for S band signal design. To explore desired S band signals for BDS, the paper firstly describes a comprehensive compatibility evaluation methods based on effective carrier-to-noise ratio degradation for acquisition and code tracking. Then a real simulation is established using space constellations, modulation schemes and received power. Finally, the worst mutual interference of BDS candidate signals with Galileo, IRNSS and Globalstar is calculated and compared. The results indicate that CPM signal is easier to allow peaceful coexistence of other systems with minimal mutual interference in S band compared to other BDS candidates.

Pixel-by-pixel absolute phase retrieval using three phase-shifted fringe patterns without markers

NASA Astrophysics Data System (ADS)

Jiang, Chufan; Li, Beiwen; Zhang, Song

2017-04-01

This paper presents a method that can recover absolute phase pixel by pixel without embedding markers on three phase-shifted fringe patterns, acquiring additional images, or introducing additional hardware component(s). The proposed three-dimensional (3D) absolute shape measurement technique includes the following major steps: (1) segment the measured object into different regions using rough priori knowledge of surface geometry; (2) artificially create phase maps at different z planes using geometric constraints of structured light system; (3) unwrap the phase pixel by pixel for each region by properly referring to the artificially created phase map; and (4) merge unwrapped phases from all regions into a complete absolute phase map for 3D reconstruction. We demonstrate that conventional three-step phase-shifted fringe patterns can be used to create absolute phase map pixel by pixel even for large depth range objects. We have successfully implemented our proposed computational framework to achieve absolute 3D shape measurement at 40 Hz.

Motion compensation and noise tolerance in phase-shifting digital in-line holography.

PubMed

Stenner, Michael D; Neifeld, Mark A

2006-05-15

We present a technique for phase-shifting digital in-line holography which compensates for lateral object motion. By collecting two frames of interference between object and reference fields with identical reference phase, one can estimate the lateral motion that occurred between frames using the cross-correlation. We also describe a very general linear framework for phase-shifting holographic reconstruction which minimizes additive white Gaussian noise (AWGN) for an arbitrary set of reference field amplitudes and phases. We analyze the technique's sensitivity to noise (AWGN, quantization, and shot), errors in the reference fields, errors in motion estimation, resolution, and depth of field. We also present experimental motion-compensated images achieving the expected resolution.

Concatenated shift registers generating maximally spaced phase shifts of PN-sequences

NASA Technical Reports Server (NTRS)

Hurd, W. J.; Welch, L. R.

1977-01-01

A large class of linearly concatenated shift registers is shown to generate approximately maximally spaced phase shifts of pn-sequences, for use in pseudorandom number generation. A constructive method is presented for finding members of this class, for almost all degrees for which primitive trinomials exist. The sequences which result are not normally characterized by trinomial recursions, which is desirable since trinomial sequences can have some undesirable randomness properties.

Benchmarking quantum mechanical calculations with experimental NMR chemical shifts of 2-HADNT

NASA Astrophysics Data System (ADS)

Liu, Yuemin; Junk, Thomas; Liu, Yucheng; Tzeng, Nianfeng; Perkins, Richard

2015-04-01

In this study, both GIAO-DFT and GIAO-MP2 calculations of nuclear magnetic resonance (NMR) spectra were benchmarked with experimental chemical shifts. The experimental chemical shifts were determined experimentally for carbon-13 (C-13) of seven carbon atoms for the TNT degradation product 2-hydroxylamino-4,6-dinitrotoluene (2-HADNT). Quantum mechanics GIAO calculations were implemented using Becke-3-Lee-Yang-Parr (B3LYP) and other six hybrid DFT methods (Becke-1-Lee-Yang-Parr (B1LYP), Becke-half-and-half-Lee-Yang-Parr (BH and HLYP), Cohen-Handy-3-Lee-Yang-Parr (O3LYP), Coulomb-attenuating-B3LYP (CAM-B3LYP), modified-Perdew-Wang-91-Lee-Yang-Parr (mPW1LYP), and Xu-3-Lee-Yang-Parr (X3LYP)) which use the same correlation functional LYP. Calculation results showed that the GIAO-MP2 method gives the most accurate chemical shift values, and O3LYP method provides the best prediction of chemical shifts among the B3LYP and other five DFT methods. Three types of atomic partial charges, Mulliken (MK), electrostatic potential (ESP), and natural bond orbital (NBO), were also calculated using MP2/aug-cc-pVDZ method. A reasonable correlation was discovered between NBO partial charges and experimental chemical shifts of carbon-13 (C-13).

Hydrogen bond and halogen bond inside the carbon nanotube

NASA Astrophysics Data System (ADS)

Wang, Weizhou; Wang, Donglai; Zhang, Yu; Ji, Baoming; Tian, Anmin

2011-02-01

The hydrogen bond and halogen bond inside the open-ended single-walled carbon nanotubes have been investigated theoretically employing the newly developed density functional M06 with the suitable basis set and the natural bond orbital analysis. Comparing with the hydrogen or halogen bond in the gas phase, we find that the strength of the hydrogen or halogen bond inside the carbon nanotube will become weaker if there is a larger intramolecular electron-density transfer from the electron-rich region of the hydrogen or halogen atom donor to the antibonding orbital of the X-H or X-Hal bond involved in the formation of the hydrogen or halogen bond and will become stronger if there is a larger intermolecular electron-density transfer from the electron-rich region of the hydrogen or halogen atom acceptor to the antibonding orbital of the X-H or X-Hal bond. According to the analysis of the molecular electrostatic potential of the carbon nanotube, the driving force for the electron-density transfer is found to be the negative electric field formed in the carbon nanotube inner phase. Our results also show that the X-H bond involved in the formation of the hydrogen bond and the X-Hal bond involved in the formation of the halogen bond are all elongated when encapsulating the hydrogen bond and halogen bond within the carbon nanotube, so the carbon nanotube confinement may change the blue-shifting hydrogen bond and the blue-shifting halogen bond into the red-shifting hydrogen bond and the red-shifting halogen bond. The possibility to replace the all electron nanotube-confined calculation by the simple polarizable continuum model is also evaluated.

Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications

DOE PAGES

Suleimanov, Yury V.; Aoiz, F. Javier; Guo, Hua

2016-09-14

This Feature Article presents an overview of the current status of ring polymer molecular dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quantum transition-state theory. We then focus on its practical applications to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rate coefficients in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques formore » calculating thermal chemical rate coefficients. We also hope it will motivate further applications of RPMD to various chemical reactions.« less

Analysis of the orbit distortion by the use of the wavelet transform

NASA Astrophysics Data System (ADS)

Matsushita, T.; Agui, A.; Yoshigoe, A.; Takao, M.; Aoyagi, H.; Takeuchi, M.; Nakatani, T.; Tanaka, H.

2004-05-01

We have adopted matching pursuit algorithm of discrete wavelet transform (DWT) for the analysis of the beam position shift correlated with the motion of insertion device(ID). The beam position data measured by the rf beam position monitors have included high-frequency `noises' and fluctuation of background level. Precise evaluation of the electron beam position shift correlated with the motion of the ID is required for estimation of the steering magnet currents in order to suppress the closed orbit distortion (COD). The DWT is a powerful tool for frequency analysis and data processing. The analysis of DWT was applied to the beam position shift correlated with the phase motion of APPLE-2 type undulator (ID23) in SPring-8. The result of the analysis indicated that `noises' are mainly composed of the components of 50 ˜ 6.25Hz and < 0.1Hz. We carried out the data processing to remove the `noises' by the matching pursuit algorithm. Then we have succeeded in suppressing the COD within 2 μm by the use of the steering magnet currents calculated from the processed data.

Single-slit electron diffraction with Aharonov-Bohm phase: Feynman's thought experiment with quantum point contacts.

PubMed

Khatua, Pradip; Bansal, Bhavtosh; Shahar, Dan

2014-01-10

In a "thought experiment," now a classic in physics pedagogy, Feynman visualizes Young's double-slit interference experiment with electrons in magnetic field. He shows that the addition of an Aharonov-Bohm phase is equivalent to shifting the zero-field wave interference pattern by an angle expected from the Lorentz force calculation for classical particles. We have performed this experiment with one slit, instead of two, where ballistic electrons within two-dimensional electron gas diffract through a small orifice formed by a quantum point contact (QPC). As the QPC width is comparable to the electron wavelength, the observed intensity profile is further modulated by the transverse waveguide modes present at the injector QPC. Our experiments open the way to realizing diffraction-based ideas in mesoscopic physics.

From the molecular structure to spectroscopic and material properties: computational investigation of a bent-core nematic liquid crystal.

PubMed

Greco, Cristina; Marini, Alberto; Frezza, Elisa; Ferrarini, Alberta

2014-05-19

We present a computational investigation of the nematic phase of the bent-core liquid crystal A131. We use an integrated approach that bridges density functional theory calculations of molecular geometry and torsional potentials to elastic properties through the molecular conformational and orientational distribution function. This unique capability to simultaneously access different length scales enables us to consistently describe molecular and material properties. We can reassign (13)C NMR chemical shifts and analyze the dependence of phase properties on molecular shape. Focusing on the elastic constants we can draw some general conclusions on the unconventional behavior of bent-core nematics and highlight the crucial role of a properly-bent shape. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tangential velocity measurement using interferometric MTI radar

DOEpatents

Doerry, Armin W.; Mileshosky, Brian P.; Bickel, Douglas L.

2006-01-03

Radar systems use time delay measurements between a transmitted signal and its echo to calculate range to a target. Ranges that change with time cause a Doppler offset in phase and frequency of the echo. Consequently, the closing velocity between target and radar can be measured by measuring the Doppler offset of the echo. The closing velocity is also known as radial velocity, or line-of-sight velocity. Doppler frequency is measured in a pulse-Doppler radar as a linear phase shift over a set of radar pulses during some Coherent Processing Interval (CPI). An Interferometric Moving Target Indicator (MTI) radar can be used to measure the tangential velocity component of a moving target. Multiple baselines, along with the conventional radial velocity measurement, allow estimating the true 3-D velocity of a target.

Waveform-controlled terahertz radiation from the air filament produced by few-cycle laser pulses.

PubMed

Bai, Ya; Song, Liwei; Xu, Rongjie; Li, Chuang; Liu, Peng; Zeng, Zhinan; Zhang, Zongxin; Lu, Haihe; Li, Ruxin; Xu, Zhizhan

2012-06-22

Waveform-controlled terahertz (THz) radiation is of great importance due to its potential application in THz sensing and coherent control of quantum systems. We demonstrated a novel scheme to generate waveform-controlled THz radiation from air plasma produced when carrier-envelope-phase (CEP) stabilized few-cycle laser pulses undergo filamentation in ambient air. We launched CEP-stabilized 10 fs-long (~1.7 optical cycles) laser pulses at 1.8 μm into air and found that the generated THz waveform can be controlled by varying the filament length and the CEP of driving laser pulses. Calculations using the photocurrent model and including the propagation effects well reproduce the experimental results, and the origins of various phase shifts in the filament are elucidated.

Relative phase shifts for metaplectic isotopies acting on mixed Gaussian states

NASA Astrophysics Data System (ADS)

de Gosson, Maurice A.; Nicacio, Fernando

2018-05-01

We address in this paper the notion of relative phase shift for mixed quantum systems. We study the Pancharatnam-Sjöqvist phase shift φ (t ) =ArgTr(U^ tρ ^ ) for metaplectic isotopies acting on Gaussian mixed states. We complete and generalize the previous results obtained by one of us, while giving rigorous proofs. The key actor in this study is the theory of the Conley-Zehnder index which is an intersection index related to the Maslov index.

Application of virtual phase-shifting speckle-interferometry for detection of polymorphism in the Chlamydia trachomatis omp1 gene

NASA Astrophysics Data System (ADS)

Feodorova, Valentina A.; Saltykov, Yury V.; Zaytsev, Sergey S.; Ulyanov, Sergey S.; Ulianova, Onega V.

2018-04-01

Method of phase-shifting speckle-interferometry has been used as a new tool with high potency for modern bioinformatics. Virtual phase-shifting speckle-interferometry has been applied for detection of polymorphism in the of Chlamydia trachomatis omp1 gene. It has been shown, that suggested method is very sensitive to natural genetic mutations as single nucleotide polymorphism (SNP). Effectiveness of proposed method has been compared with effectiveness of the newest bioinformatic tools, based on nucleotide sequence alignment.

Atmospheric autoxidation is increasingly important in urban and suburban North America

NASA Astrophysics Data System (ADS)

Praske, Eric; Otkjær, Rasmus V.; Crounse, John D.; Caleb Hethcox, J.; Stoltz, Brian M.; Kjaergaard, Henrik G.; Wennberg, Paul O.

2018-01-01

Gas-phase autoxidation—regenerative peroxy radical formation following intramolecular hydrogen shifts—is known to be important in the combustion of organic materials. The relevance of this chemistry in the oxidation of organics in the atmosphere has received less attention due, in part, to the lack of kinetic data at relevant temperatures. Here, we combine computational and experimental approaches to investigate the rate of autoxidation for organic peroxy radicals (RO2) produced in the oxidation of a prototypical atmospheric pollutant, n-hexane. We find that the reaction rate depends critically on the molecular configuration of the RO2 radical undergoing hydrogen transfer (H-shift). RO2 H-shift rate coefficients via transition states involving six- and seven-membered rings (1,5 and 1,6 H-shifts, respectively) of α-OH hydrogens (HOC-H) formed in this system are of order 0.1 s‑1 at 296 K, while the 1,4 H-shift is calculated to be orders of magnitude slower. Consistent with H-shift reactions over a substantial energetic barrier, we find that the rate coefficients of these reactions increase rapidly with temperature and exhibit a large, primary, kinetic isotope effect. The observed H-shift rate coefficients are sufficiently fast that, as a result of ongoing NOx emission reductions, autoxidation is now competing with bimolecular chemistry even in the most polluted North American cities, particularly during summer afternoons when NO levels are low and temperatures are elevated.

Digital second-order phase-locked loop

NASA Technical Reports Server (NTRS)

Holmes, J. K.; Carl, C. C.; Tagnelia, C. R.

1975-01-01

Actual tests with second-order digital phase-locked loop at simulated relative Doppler shift of 1x0.0001 produced phase lock with timing error of 6.5 deg and no appreciable Doppler bias. Loop thus appears to achieve subcarrier synchronization and to remove bias due to Doppler shift in range of interest.

Calculation of 125Te NMR Chemical Shifts at the Full Four-Component Relativistic Level with Taking into Account Solvent and Vibrational Corrections: A Gateway to Better Agreement with Experiment.

PubMed

Rusakova, Irina L; Rusakov, Yuriy Yu; Krivdin, Leonid B

2017-06-29

Four-component relativistic calculations of 125 Te NMR chemical shifts were performed in the series of 13 organotellurium compounds, potential precursors of the biologically active species, at the density functional theory level under the nonrelativistic and four-component fully relativistic conditions using locally dense basis set scheme derived from relativistic Dyall's basis sets. The relativistic effects in tellurium chemical shifts were found to be of as much as 20-25% of the total calculated values. The vibrational and solvent corrections to 125 Te NMR chemical shifts are about, accordingly, 6 and 8% of their total values. The PBE0 exchange-correlation functional turned out to give the best agreement of calculated tellurium shifts with their experimental values giving the mean absolute percentage error of 4% in the range of ∼1000 ppm, provided all corrections are taken into account.

Light-Induced resetting of the circadian pacemaker: quantitative analysis of transient versus steady-state phase shifts.

PubMed

Watanabe, K; Deboer, T; Meijer, J H

2001-12-01

The suprachiasmatic nuclei of the hypothalamus contain the major circadian pacemaker in mammals, driving circadian rhythms in behavioral and physiological functions. This circadian pacemaker's responsiveness to light allows synchronization to the light-dark cycle. Phase shifting by light often involves several transient cycles in which the behavioral activity rhythm gradually shifts to its steady-state position. In this article, the authors investigate in Syrian hamsters whether a phase-advancing light pulse results in immediate shifts of the PRC at the next circadian cycle. In a first series of experiments, the authors aimed a light pulse at CT 19 to induce a phase advance. It appeared that the steady-state phase advances were highly correlated with activity onset in the first and second transient cycle. This enabled them to make a reliable estimate of the steady-state phase shift induced by a phase-advancing light pulse on the basis of activity onset in the first transient cycle. In the next series of experiments, they presented a light pulse at CT 19, which was followed by a second light pulse aimed at the delay zone of the PRC on the next circadian cycle. The immediate and steady-state phase delays induced by the second light pulse were compared with data from a third experiment in which animals received a phase-delaying light pulse only. The authors observed that the waveform of the phase-delay part of the PRC (CT 12-16) obtained in Experiment 2 was virtually identical to the phase-delay part of the PRC for a single light pulse (obtained in Experiment 3). This finding allowed for a quantitative assessment of the data. The analysis indicates that the delay part of the PRC-between CT 12 and CT 16-is rapidly reset following a light pulse at CT 19. These findings complement earlier findings in the hamster showing that after a light pulse at CT 19, the phase-advancing part of the PRC is immediately shifted. Together, the data indicate that the basis for phase advancing involves rapid resetting of both advance and delay components of the PRC.

Acceptor binding energies in GaN and AlN

NASA Astrophysics Data System (ADS)

Mireles, Francisco; Ulloa, Sergio E.

1998-08-01

We employ effective-mass theory for degenerate hole bands to calculate the acceptor binding energies for Be, Mg, Zn, Ca, C, and Si substitutional acceptors in GaN and AlN. The calculations are performed through the 6×6 Rashba-Sheka-Pikus and the Luttinger-Kohn matrix Hamiltonians for wurtzite (WZ) and zinc-blende (ZB) crystal phases, respectively. An analytic representation for the acceptor pseudopotential is used to introduce the specific nature of the impurity atoms. The energy shift due to polaron effects is also considered in this approach. The ionization energy estimates are in very good agreement with those reported experimentally in WZ GaN. The binding energies for ZB GaN acceptors are all predicted to be shallower than the corresponding impurities in the WZ phase. The binding-energy dependence upon the crystal-field splitting in WZ GaN is analyzed. Ionization levels in AlN are found to have similar ``shallow'' values to those in GaN, but with some important differences which depend on the band structure parametrizations, especially the value of the crystal-field splitting used.

Vibrational molecular modulation in hydrogen

NASA Astrophysics Data System (ADS)

Huang, Shu Wei; Chen, Wei-Jan; Kung, A. H.

2006-12-01

Detailed numerical modeling of using the vibrational coherence of H2 for molecular modulation is presented. The focus of the calculation is on a strongly driven system aimed at producing many sidebands in the presence of Doppler broadening and the effects of collisions at room temperature. It is shown that Dicke narrowing that reduces the Doppler width plays a critical role in high order sideband generation in room temperature H2 . In addition, the calculation shows that generation of many sidebands favors the phased state as has been reported in all gas phase experiments and is primarily a consequence of the Stark shifts that result from the applied high intensities. The influence of self-focusing in the gas medium that has been conjectured in previous studies is only secondary. The numerical results agree with experimental data obtained in our laboratory, where we have succeeded in generating collinearly propagating Raman sidebands with wavelengths that range from 2216nm in the infrared to 133nm in the vacuum ultraviolet. The frequencies covered by these sidebands span over four octaves for a total of more than 70600cm-1 in the optical region of the spectrum.

ACUTE ETHANOL MODULATES GLUTAMATERGIC AND SEROTONERGIC PHASE SHIFTS OF THE MOUSE CIRCADIAN LOCK IN VITRO

PubMed Central

Prosser, Rebecca A.; Mangrum, Charles A.; Glass, J. David

2008-01-01

Alcohol abuse is associated with sleep problems, which are often linked to circadian rhythm disturbances. However, there is no information on the direct effects of ethanol on the mammalian circadian clock. Acute ethanol inhibits glutamate signaling, which is the primary mechanism through which light resets the mammalian clock in the suprachiasmatic nucleus (SCN). Glutamate and light also inhibit circadian clock resetting induced by non-photic signals, including serotonin. Thus, we investigated the effects of acute ethanol on both glutamatergic and serotoninergic resetting of the SCN clock in vitro. We show that ethanol dose-dependently inhibits glutamate-induced phase shifts and enhances serotonergic phase shifts. The inhibition of glutamate-induced phase shifts is not affected by excess glutamate, glycine or D-serine, but is prevented by excess brain-derived neurotrophic factor (BDNF). BDNF is known to augment glutamate signaling in the SCN and to be necessary for glutamate/light-induced phase shifts. Thus, ethanol may inhibit glutamate-induced clock resetting at least in part by blocking BDNF enhancement of glutamate signaling. Ethanol enhancement of serotonergic phase shifts is mimicked by treatments that suppress glutamate signaling in the SCN, including antagonists of glutamate receptors, BDNF signaling and nitric oxide synthase. The combined effect of ethanol with these treatments is not additive, suggesting they act through a common pathway. Our data indicate further that the interaction between serotonin and glutamate in the SCN may occur downstream from nitric oxide synthase activation. Thus, acute ethanol disrupts normal circadian clock phase regulation, which could contribute to the physiological and psychological problems associated with alcohol abuse. PMID:18313227

Comparing two tetraalkylammonium ionic liquids. I. Liquid phase structure.

PubMed

Lima, Thamires A; Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C; Giles, Carlos

2016-06-14

X-ray scattering experiments at room temperature were performed for the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N1114][NTf2], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N1444][NTf2]. The peak in the diffraction data characteristic of charge ordering in [N1444][NTf2] is shifted to longer distances in comparison to [N1114][NTf2], but the peak characteristic of short-range correlations is shifted in [N1444][NTf2] to shorter distances. Molecular dynamics (MD) simulations were performed for these ionic liquids using force fields available from the literature, although with new sets of partial charges for [N1114](+) and [N1444](+) proposed in this work. The shifting of charge and adjacency peaks to opposite directions in these ionic liquids was found in the static structure factor, S(k), calculated by MD simulations. Despite differences in cation sizes, the MD simulations unravel that anions are allowed as close to [N1444](+) as to [N1114](+) because anions are located in between the angle formed by the butyl chains. The more asymmetric molecular structure of the [N1114](+) cation implies differences in partial structure factors calculated for atoms belonging to polar or non-polar parts of [N1114][NTf2], whereas polar and non-polar structure factors are essentially the same in [N1444][NTf2]. Results of this work shed light on controversies in the literature on the liquid structure of tetraalkylammonium based ionic liquids.

Comparing two tetraalkylammonium ionic liquids. I. Liquid phase structure

NASA Astrophysics Data System (ADS)

Lima, Thamires A.; Paschoal, Vitor H.; Faria, Luiz F. O.; Ribeiro, Mauro C. C.; Giles, Carlos

2016-06-01

X-ray scattering experiments at room temperature were performed for the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N1114][NTf2], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N1444][NTf2]. The peak in the diffraction data characteristic of charge ordering in [N1444][NTf2] is shifted to longer distances in comparison to [N1114][NTf2], but the peak characteristic of short-range correlations is shifted in [N1444][NTf2] to shorter distances. Molecular dynamics (MD) simulations were performed for these ionic liquids using force fields available from the literature, although with new sets of partial charges for [N1114]+ and [N1444]+ proposed in this work. The shifting of charge and adjacency peaks to opposite directions in these ionic liquids was found in the static structure factor, S(k), calculated by MD simulations. Despite differences in cation sizes, the MD simulations unravel that anions are allowed as close to [N1444]+ as to [N1114]+ because anions are located in between the angle formed by the butyl chains. The more asymmetric molecular structure of the [N1114]+ cation implies differences in partial structure factors calculated for atoms belonging to polar or non-polar parts of [N1114][NTf2], whereas polar and non-polar structure factors are essentially the same in [N1444][NTf2]. Results of this work shed light on controversies in the literature on the liquid structure of tetraalkylammonium based ionic liquids.

Redox-dependent structure change and hyperfine nuclear magnetic resonance shifts in cytochrome c

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

Feng, Yiquing; Roder, H.; Englander, S.W.

1990-04-10

Proton nuclear magnetic resonance assignments for reduced and oxidized equine cytochrome c show that many individual protons exhibit different chemical shifts in the two protein forms, reflecting diamagnetic shift effects due to structure change, and in addition contact and pseudocontact shifts that occur only in the paramagnetic oxidized form. To evaluate the chemical shift differences for structure change, the authors removed the pseudocontact shift contribution by a calculation based on knowledge of the electron spin g tensor. The g-tensor calculation, when repeated using only 12 available C{sub {alpha}}H proton resonances for cytochrom c from tuna, proved to be remarkably stable.more » The derived g tensor was then used together with spatial coordinates for the oxidized form to calculate the pseudocontact shift contribution to proton resonances at 400 identifiable sites throughout the protein, so that the redox-dependent chemical shift discrepancy, could be evaluated. Large residual changes in chemical shift define the Fermi contact shifts, where are found as expected to be limited to the immediate covalent structure of the heme and its ligands and to be asymmetrically distributed over the heme. The chemical shift discrepancies observed appear in the main to reflect structure-dependent diamagnetic shifts rather than hyperfine effects due to displacements in the pseudocontact shift field. Although 51 protons in 29 different residues exhibit significant chemical shift changes, the general impressions one of small structural adjustments to redox-dependent strain rather than sizeable structural displacements or rearrangements.« less

Medium-induced change of the optical response of metal clusters in rare-gas matrices

NASA Astrophysics Data System (ADS)

Xuan, Fengyuan; Guet, Claude

2017-10-01

Interaction with the surrounding medium modifies the optical response of embedded metal clusters. For clusters from about ten to a few hundreds of silver atoms, embedded in rare-gas matrices, we study the environment effect within the matrix random phase approximation with exact exchange (RPAE) quantum approach, which has proved successful for free silver clusters. The polarizable surrounding medium screens the residual two-body RPAE interaction, adds a polarization term to the one-body potential, and shifts the vacuum energy of the active delocalized valence electrons. Within this model, we calculate the dipole oscillator strength distribution for Ag clusters embedded in helium droplets, neon, argon, krypton, and xenon matrices. The main contribution to the dipole surface plasmon red shift originates from the rare-gas polarization screening of the two-body interaction. The large size limit of the dipole surface plasmon agrees well with the classical prediction.

A Spectroscopic and Theoretical Study of Weak Intramolecular OH\\cdots π Interactions in Allyl Carbinol and Methallyl Carbinol

NASA Astrophysics Data System (ADS)

Schroeder, Sidsel D.; Mackeprang, Kasper; Kjaergaard, Henrik G.

2013-06-01

The weak intramolecular OH\\cdots π interactions in allyl carbinol and methallyl carbinol have been studied using a combination of NIR spectroscopy and theory. The third OH-stretching overtone region of vapor phase allyl carbinol and methallyl carbinol have been recorded with intracavity laser photoacoustic spectroscopy to study the effect of an enhanced OH\\cdots π interaction in methallyl carbinol arising from the electron donating methyl group. Local mode calculations were employed to assign the observed bands. The OH-stretching transition frequency of methallyl carbinol was observed to be red shifted relative to the OH-stretching transition frequency of allyl carbinol. A red shift of the transition frequency is in this context normally interpreted as a signature of hydrogen bonding. Whether the OH\\cdots π interaction can be categorized as a hydrogen bond will be discussed in this talk.

Spacecraft-to-Earth Communications for Juno and Mars Science Laboratory Critical Events

NASA Technical Reports Server (NTRS)

Soriano, Melissa; Finley, Susan; Jongeling, Andre; Fort, David; Goodhart, Charles; Rogstad, David; Navarro, Robert

2012-01-01

Deep Space communications typically utilize closed loop receivers and Binary Phase Shift Keying (BPSK) or Quadrature Phase Shift Keying (QPSK). Critical spacecraft events include orbit insertion and entry, descent, and landing.---Low gain antennas--> low signal -to-noise-ratio.---High dynamics such as parachute deployment or spin --> Doppler shift. During critical events, open loop receivers and Multiple Frequency Shift Keying (MFSK) used. Entry, Descent, Landing (EDL) Data Analysis (EDA) system detects tones in real-time.

Shift in Food Intake and Changes in Metabolic Regulation and Gene Expression during Simulated Night-Shift Work: A Rat Model.

PubMed

Marti, Andrea Rørvik; Meerlo, Peter; Grønli, Janne; van Hasselt, Sjoerd Johan; Mrdalj, Jelena; Pallesen, Ståle; Pedersen, Torhild Thue; Henriksen, Tone Elise Gjøtterud; Skrede, Silje

2016-11-08

Night-shift work is linked to a shift in food intake toward the normal sleeping period, and to metabolic disturbance. We applied a rat model of night-shift work to assess the immediate effects of such a shift in food intake on metabolism. Male Wistar rats were subjected to 8 h of forced activity during their rest (ZT2-10) or active (ZT14-22) phase. Food intake, body weight, and body temperature were monitored across four work days and eight recovery days. Food intake gradually shifted toward rest-work hours, stabilizing on work day three. A subgroup of animals was euthanized after the third work session for analysis of metabolic gene expression in the liver by real-time polymerase chain reaction (PCR). Results show that work in the rest phase shifted food intake to rest-work hours. Moreover, liver genes related to energy storage and insulin metabolism were upregulated, and genes related to energy breakdown were downregulated compared to non-working time-matched controls. Both working groups lost weight during the protocol and regained weight during recovery, but animals that worked in the rest phase did not fully recover, even after eight days of recovery. In conclusion, three to four days of work in the rest phase is sufficient to induce disruption of several metabolic parameters, which requires more than eight days for full recovery.

PCM/TD-DFT analysis of 1-bromo-2,3-dichlorobenzene--a combined study of experimental (FT-IR and FT-Raman) and theoretical calculations.

PubMed

Arivazhagan, M; Muniappan, P; Meenakshi, R; Rajavel, G

2013-03-15

This study represents an integral approach towards understanding the electronic and structural aspects of 1-bromo-2,3-dichlorobenzene (BDCB). The experimental spectral bands were structurally assigned with the theoretical calculation, and the thermodynamic properties of the studied compound were obtained from the theoretically calculated frequencies. The relationship between the structure and absorption spectrum and effects of solvents have been discussed. It turns that the hybrid PBE1PBE functional with 6-311+G(d,p) basis provide reliable λ(max) when solvent effects are included in the model. The NBO analysis reveals that the studied compound presents a structural characteristic of electron-transfer within the compound. The frontier molecular orbitals (HOMO-LUMO) are responsible for the electron polarization and electron-transfer properties. The reactivity sites are identified by mapping the electron density into electrostatic potential surface (MESP). Besides, (13)C and (1)H have been calculated using the gauge-invariant atomic orbital (GIAO) method. The thermodynamic properties at different temperatures were calculated, revealing the correlations between standard heat capacity, standard entropy, standard enthalpy changes and temperatures. Furthermore, the studied compound can be used as a good nonlinear optical material due to the higher value of first hyper polarizability (5.7 times greater than that of urea (0.37289×10(-30) esu)). Finally, it is worth to mentioning that solvent induces a considerable red shift of the absorption maximum going from the gas phase, and a slight blue shift of the transition S(0)→S(1) going from less polar to more polar solvents. Copyright © 2012 Elsevier B.V. All rights reserved.

Theoretical Investigation of OCN(-) Charge Transfer Complexes in Condensed Phase Media: Spectroscopic Properties in Amorphous Ice

NASA Technical Reports Server (NTRS)

Park, Jin-Young; Woon, David E.

2004-01-01

Density functional theory (DFT) calculations of cyanate (OCN(-)) charge-transfer complexes were performed to model the "XCN" feature observed in interstellar icy grain mantles. OCN(-) charge-transfer complexes were formed from precursor combinations of HNCO or HOCN with either NH3 or H2O. Three different solvation strategies for realistically modeling the ice matrix environment were explored, including (1) continuum solvation, (2) pure DFT cluster calculations, and (3) an ONIOM DFT/PM3 cluster calculation. The model complexes were evaluated by their ability to reproduce seven spectroscopic measurements associated with XCN: the band origin of the OCN(-) asymmetric stretching mode, shifts in that frequency due to isotopic substitutions of C, N, O, and H, plus two weak features. The continuum solvent field method produced results consistent with some of the experimental data but failed to account for other behavior due to its limited capacity to describe molecular interactions with solvent. DFT cluster calculations successfully reproduced the available spectroscopic measurements very well. In particular, the deuterium shift showed excellent agreement in complexes where OCN(-) was fully solvated. Detailed studies of representative complexes including from two to twelve water molecules allowed the exploration of various possible solvation structures and provided insights into solvation trends. Moreover, complexes arising from cyanic or isocyanic acid in pure water suggested an alternative mechanism for the formation of OCN(-) charge-transfer complexes without the need for a strong base such as NH3 to be present. An extended ONIOM (B3LYP/PM3) cluster calculation was also performed to assess the impact of a more realistic environment on HNCO dissociation in pure water.

NMR crystallography of campho[2,3-c]pyrazole (Z' = 6): combining high-resolution 1H-13C solid-state MAS NMR spectroscopy and GIPAW chemical-shift calculations.

PubMed

Webber, Amy L; Emsley, Lyndon; Claramunt, Rosa M; Brown, Steven P

2010-09-30

(1)H-(13)C two-dimensional magic-angle spinning (MAS) solid-state NMR correlation spectra, recorded with the MAS-J-HMQC experiment, are presented for campho[2,3-c]pyrazole. For each (13)C moiety, there are six resonances associated with the six distinct molecules in the asymmetric unit cell (Z' = 6). The one-bond C-H correlations observed in the 2D (1)H-(13)C MAS-J-HMQC spectra allow the experimental determination of the (1)H and (13)C chemical shifts associated with the separate CH, CH(2), and CH(3) groups. (1)H and (13)C chemical shifts calculated by using the GIPAW (Gauge Including Projector Augmented Waves) plane-wave pseudopotential approach are presented. Calculations for the whole unit cell (12 × 29 = 348 atoms, with geometry optimization of all atoms) allow the assignment of the experimental (1)H and (13)C chemical shifts to the six distinct molecules. The calculated chemical shifts for the full crystal structure are compared with those for isolated molecules as extracted from the geometry-optimized crystal structure. In this way, the effect of intermolecular interactions on the observed chemical shifts is quantified. In particular, the calculations are sufficiently precise to differentiate the small (<1 ppm) differences between the (1)H chemical shifts of the six resonances associated with each distinct CH or CH(2) moiety.

Human phase response curve to a single 6.5 h pulse of short-wavelength light

PubMed Central

Rüger, Melanie; St Hilaire, Melissa A; Brainard, George C; Khalsa, Sat-Bir S; Kronauer, Richard E; Czeisler, Charles A; Lockley, Steven W

2013-01-01

The photic resetting response of the human circadian pacemaker depends on the timing of exposure, and the direction and magnitude of the resulting shift is described by a phase response curve (PRC). Previous PRCs in humans have utilized high-intensity polychromatic white light. Given that the circadian photoreception system is maximally sensitive to short-wavelength visible light, the aim of the current study was to construct a PRC to blue (480 nm) light and compare it to a 10,000 lux white light PRC constructed previously using a similar protocol. Eighteen young healthy participants (18–30 years) were studied for 9–10 days in a time-free environment. The protocol included three baseline days followed by a constant routine (CR) to assess initial circadian phase. Following this CR, participants were exposed to a 6.5 h 480 nm light exposure (11.8 μW cm−2, 11.2 lux) following mydriasis via a modified Ganzfeld dome. A second CR was conducted following the light exposure to re-assess circadian phase. Phase shifts were calculated from the difference in dim light melatonin onset (DLMO) between CRs. Exposure to 6.5 h of 480 nm light resets the circadian pacemaker according to a conventional type 1 PRC with fitted maximum delays and advances of −2.6 h and 1.3 h, respectively. The 480 nm PRC induced ∼75% of the response of the 10,000 lux white light PRC. These results may contribute to a re-evaluation of dosing guidelines for clinical light therapy and the use of light as a fatigue countermeasure. PMID:23090946

Calculations of the Electric Fields in Liquid Solutions

PubMed Central

Fried, Stephen D.; Wang, Lee-Ping; Boxer, Steven G.; Ren, Pengyu; Pande, Vijay S.

2014-01-01

The electric field created by a condensed phase environment is a powerful and convenient descriptor for intermolecular interactions. Not only does it provide a unifying language to compare many different types of interactions, but it also possesses clear connections to experimental observables, such as vibrational Stark effects. We calculate here the electric fields experienced by a vibrational chromophore (the carbonyl group of acetophenone) in an array of solvents of diverse polarities using molecular dynamics simulations with the AMOEBA polarizable force field. The mean and variance of the calculated electric fields correlate well with solvent-induced frequency shifts and band broadening, suggesting Stark effects as the underlying mechanism of these key solution phase spectral effects. Compared to fixed-charge and continuum models, AMOEBA was the only model examined that could describe non-polar, polar, and hydrogen bonding environments in a consistent fashion. Nevertheless, we found that fixed-charge force fields and continuum models were able to replicate some results of the polarizable simulations accurately, allowing us to clearly identify which properties and situations require explicit polarization and/or atomistic representations to be modeled properly, and for which properties and situations simpler models are sufficient. We also discuss the ramifications of these results for modeling electrostatics in complex environments, such as proteins. PMID:24304155

Phased array ghost elimination.

PubMed

Kellman, Peter; McVeigh, Elliot R

2006-05-01

Parallel imaging may be applied to cancel ghosts caused by a variety of distortion mechanisms, including distortions such as off-resonance or local flow, which are space variant. Phased array combining coefficients may be calculated that null ghost artifacts at known locations based on a constrained optimization, which optimizes SNR subject to the nulling constraint. The resultant phased array ghost elimination (PAGE) technique is similar to the method known as sensitivity encoding (SENSE) used for accelerated imaging; however, in this formulation is applied to full field-of-view (FOV) images. The phased array method for ghost elimination may result in greater flexibility in designing acquisition strategies. For example, in multi-shot EPI applications ghosts are typically mitigated by the use of an interleaved phase encode acquisition order. An alternative strategy is to use a sequential, non-interleaved phase encode order and cancel the resultant ghosts using PAGE parallel imaging. Cancellation of ghosts by means of phased array processing makes sequential, non-interleaved phase encode acquisition order practical, and permits a reduction in repetition time, TR, by eliminating the need for echo-shifting. Sequential, non-interleaved phase encode order has benefits of reduced distortion due to off-resonance, in-plane flow and EPI delay misalignment. Furthermore, the use of EPI with PAGE has inherent fat-water separation and has been used to provide off-resonance correction using a technique referred to as lipid elimination with an echo-shifting N/2-ghost acquisition (LEENA), and may further generalized using the multi-point Dixon method. Other applications of PAGE include cancelling ghosts which arise due to amplitude or phase variation during the approach to steady state. Parallel imaging requires estimates of the complex coil sensitivities. In vivo estimates may be derived by temporally varying the phase encode ordering to obtain a full k-space dataset in a scheme similar to the autocalibrating TSENSE method. This scheme is a generalization of the UNFOLD method used for removing aliasing in undersampled acquisitions. The more general scheme may be used to modulate each EPI ghost image to a separate temporal frequency as described in this paper. Copyright (c) 2006 John Wiley & Sons, Ltd.

Phased array ghost elimination

PubMed Central

Kellman, Peter; McVeigh, Elliot R.

2007-01-01

Parallel imaging may be applied to cancel ghosts caused by a variety of distortion mechanisms, including distortions such as off-resonance or local flow, which are space variant. Phased array combining coefficients may be calculated that null ghost artifacts at known locations based on a constrained optimization, which optimizes SNR subject to the nulling constraint. The resultant phased array ghost elimination (PAGE) technique is similar to the method known as sensitivity encoding (SENSE) used for accelerated imaging; however, in this formulation is applied to full field-of-view (FOV) images. The phased array method for ghost elimination may result in greater flexibility in designing acquisition strategies. For example, in multi-shot EPI applications ghosts are typically mitigated by the use of an interleaved phase encode acquisition order. An alternative strategy is to use a sequential, non-interleaved phase encode order and cancel the resultant ghosts using PAGE parallel imaging. Cancellation of ghosts by means of phased array processing makes sequential, non-interleaved phase encode acquisition order practical, and permits a reduction in repetition time, TR, by eliminating the need for echo-shifting. Sequential, non-interleaved phase encode order has benefits of reduced distortion due to off-resonance, in-plane flow and EPI delay misalignment. Furthermore, the use of EPI with PAGE has inherent fat-water separation and has been used to provide off-resonance correction using a technique referred to as lipid elimination with an echo-shifting N/2-ghost acquisition (LEENA), and may further generalized using the multi-point Dixon method. Other applications of PAGE include cancelling ghosts which arise due to amplitude or phase variation during the approach to steady state. Parallel imaging requires estimates of the complex coil sensitivities. In vivo estimates may be derived by temporally varying the phase encode ordering to obtain a full k-space dataset in a scheme similar to the autocalibrating TSENSE method. This scheme is a generalization of the UNFOLD method used for removing aliasing in undersampled acquisitions. The more general scheme may be used to modulate each EPI ghost image to a separate temporal frequency as described in this paper. PMID:16705636

Solid-state NMR calculations for metal oxides and gallates: Shielding and quadrupolar parameters for perovskites and related phases

NASA Astrophysics Data System (ADS)

Middlemiss, Derek S.; Blanc, Frédéric; Pickard, Chris J.; Grey, Clare P.

2010-05-01

The NMR parameters obtained from solid-state DFT calculations within the GIPAW approach for 17O- and 69/71Ga-sites in a range of predominantly oxide-based (group II monoxides, SrTiO 3, BaZrO 3, BaSnO 3, BaTiO 3, LaAlO 3, LaGaO 3, SrZrO 3, MgSiO 3 and Ba 2In 2O 5), and gallate (α- and β-Ga 2O 3, LiGaO 2, NaGaO 2, GaPO 4 and LaGaO 3) materials are compared with experimental values, with a view to the future application of a similar approach to doped phases of interest as candidate intermediate temperature solid oxide fuel cell (ITSOFC) electrolytes. Isotropic and anisotropic chemical shift parameters, quadrupolar coupling constants, and associated asymmetries are presented and analyzed. The unusual GaO 5 site occurring in LaGaGe 2O 7 is also fully characterised. In general, it is found that the theoretical results closely track the experimental trends, though some deviations are identified and discussed, particularly in regard to quadrupolar ηQ-values. The high quality of the computed results suggests that this approach can be extended to study more complex and disordered phases.

Raman spectroscopy of KxCo2-ySe2 single crystals near the ferromagnet-paramagnet transition

DOE PAGES

Opacic, M.; Lazarevic, N.; Radonjic, M. M.; ...

2016-10-05

Polarized Raman scattering spectra of the K xCo 2-ySe 2 (x = :::; y = :::) single crystals reveal the presence of two phonon modes, assigned as of the A1g and B1g symmetry. Absence of additional modes excludes the possibility of vacancy ordering, unlike in K xCo 2-ySe 2 . The ferromagnetic (FM) phase transition at Tc 74 K leaves a clear fingerprint on the temperature dependence of the Raman mode energy and linewidth. For T > Tc the temperature dependence looks conventional, driven by the thermal expansion and anharmonicity. The Raman modes are rather broad due to the electron-phononmore » coupling increased by the disorder and spin fluctuation e ects. In the FM phase the phonon frequency of both modes increases, while an opposite trend is seen in their linewidth: the A1g mode narrows in the FM phase, whereas the B 1g mode broadens. We argue that the large asymmetry and anomalous frequency shift of the B 1g mode is due to the coupling of spin fluctuations and vibration. Our density functional theory (DFT) calculations for the phonon frequencies agree rather well with the Raman measurements, with some discrepancy being expected since the DFT calculations neglect the spin fluctuations.« less

White light phase shifting interferometry and color fringe analysis for the detection of contaminants in water

NASA Astrophysics Data System (ADS)

Dubey, Vishesh; Singh, Veena; Ahmad, Azeem; Singh, Gyanendra; Mehta, Dalip Singh

2016-03-01

We report white light phase shifting interferometry in conjunction with color fringe analysis for the detection of contaminants in water such as Escherichia coli (E.coli), Campylobacter coli and Bacillus cereus. The experimental setup is based on a common path interferometer using Mirau interferometric objective lens. White light interferograms are recorded using a 3-chip color CCD camera based on prism technology. The 3-chip color camera have lesser color cross talk and better spatial resolution in comparison to single chip CCD camera. A piezo-electric transducer (PZT) phase shifter is fixed with the Mirau objective and they are attached with a conventional microscope. Five phase shifted white light interferograms are recorded by the 3-chip color CCD camera and each phase shifted interferogram is decomposed into the red, green and blue constituent colors, thus making three sets of five phase shifted intererograms for three different colors from a single set of white light interferogram. This makes the system less time consuming and have lesser effect due to surrounding environment. Initially 3D phase maps of the bacteria are reconstructed for red, green and blue wavelengths from these interferograms using MATLAB, from these phase maps we determines the refractive index (RI) of the bacteria. Experimental results of 3D shape measurement and RI at multiple wavelengths will be presented. These results might find applications for detection of contaminants in water without using any chemical processing and fluorescent dyes.

Correction of phase-shifting error in wavelength scanning digital holographic microscopy

NASA Astrophysics Data System (ADS)

Zhang, Xiaolei; Wang, Jie; Zhang, Xiangchao; Xu, Min; Zhang, Hao; Jiang, Xiangqian

2018-05-01

Digital holographic microscopy is a promising method for measuring complex micro-structures with high slopes. A quasi-common path interferometric apparatus is adopted to overcome environmental disturbances, and an acousto-optic tunable filter is used to obtain multi-wavelength holograms. However, the phase shifting error caused by the acousto-optic tunable filter reduces the measurement accuracy and, in turn, the reconstructed topographies are erroneous. In this paper, an accurate reconstruction approach is proposed. It corrects the phase-shifting errors by minimizing the difference between the ideal interferograms and the recorded ones. The restriction on the step number and uniformity of the phase shifting is relaxed in the interferometry, and the measurement accuracy for complex surfaces can also be improved. The universality and superiority of the proposed method are demonstrated by practical experiments and comparison to other measurement methods.

Precise determination of lattice phase shifts and mixing angles

DOE PAGES

Lu, Bing -Nan; Lähde, Timo A.; Lee, Dean; ...

2016-07-09

Here, we introduce a general and accurate method for determining lattice phase shifts and mixing angles, which is applicable to arbitrary, non-cubic lattices. Our method combines angular momentum projection, spherical wall boundaries and an adjustable auxiliary potential. This allows us to construct radial lattice wave functions and to determine phase shifts at arbitrary energies. For coupled partial waves, we use a complex-valued auxiliary potential that breaks time-reversal invariance. We benchmark our method using a system of two spin-1/2 particles interacting through a finite-range potential with a strong tensor component. We are able to extract phase shifts and mixing angles formore » all angular momenta and energies, with precision greater than that of extant methods. We discuss a wide range of applications from nuclear lattice simulations to optical lattice experiments.« less

The cholinergic forebrain arousal system acts directly on the circadian pacemaker

PubMed Central

Yamakawa, Glenn R.; Basu, Priyoneel; Cortese, Filomeno; MacDonnell, Johanna; Whalley, Danica; Smith, Victoria M.

2016-01-01

Sleep and wake states are regulated by a variety of mechanisms. One such important system is the circadian clock, which provides temporal structure to sleep and wake. Conversely, changes in behavioral state, such as sleep deprivation (SD) or arousal, can phase shift the circadian clock. Here we demonstrate that the level of wakefulness is critical for this arousal resetting of the circadian clock. Specifically, drowsy animals with significant power in the 7- to 9-Hz band of their EEGs do not exhibit phase shifts in response to a mild SD procedure. We then show that treatments that both produce arousal and reset the phase of circadian clock activate (i.e., induce Fos expression in) the basal forebrain. Many of the activated cells are cholinergic. Using retrograde tract tracing, we demonstrate that cholinergic cells activated by these arousal procedures project to the circadian clock in the suprachiasmatic nuclei (SCN). We then demonstrate that arousal-induced phase shifts are blocked when animals are pretreated with atropine injections to the SCN, demonstrating that cholinergic activity at the SCN is necessary for arousal-induced phase shifting. Finally, we demonstrate that electrical stimulation of the substantia innominata of the basal forebrain phase shifts the circadian clock in a manner similar to that of our arousal procedures and that these shifts are also blocked by infusions of atropine to the SCN. These results establish a functional link between the major forebrain arousal center and the circadian system. PMID:27821764

First-principles calculations of Ti and O NMR chemical shift tensors in ferroelectric perovskites

NASA Astrophysics Data System (ADS)

Pechkis, Daniel; Walter, Eric; Krakauer, Henry

2011-03-01

Complementary chemical shift calculations were carried out with embedded clusters, using quantum chemistry methods, and with periodic boundary conditions, using the GIPAW approach within the Quantum Espresso package. Compared to oxygen chemical shifts, δ̂ (O), cluster calculations for δ̂ (Ti) were found to be more sensitive to size effects, termination, and choice of gaussian-type atomic basis set, while GIPAW results were found to be more sensitive to the pseudopotential construction. The two approaches complemented each other in optimizing these factors. We show that the two approaches yield comparable chemical shifts for suitably converged simulations, and results are compared with available experimental measurements. Supported by ONR.

Determination of baryon-baryon elastic scattering phase shift from finite volume spectra in elongated boxes

NASA Astrophysics Data System (ADS)

Li, Ning; Wu, Ya-Jie; Liu, Zhan-Wei

2018-01-01

The relations between the baryon-baryon elastic scattering phase shifts and the two-particle energy spectrum in the elongated box are established. We studied the cases with both the periodic boundary condition and twisted boundary condition in the center of mass frame. The framework is also extended to the system of nonzero total momentum with periodic boundary condition in the moving frame. Moreover, we discussed the sensitivity functions σ (q ) that represent the sensitivity of higher scattering phases. Our analytical results will be helpful to extract the baryon-baryon elastic scattering phase shifts in the continuum from lattice QCD data by using elongated boxes.

Homodyne Phase-Shift-Keying Systems: Past Challenges and Future Opportunities

NASA Astrophysics Data System (ADS)

Kazovsky, Leonid G.; Kalogerakis, Georgios; Shaw, Wei-Tao

2006-12-01

Homodyne phase-shift-keying systems can achieve the best receiver sensitivity and the longest transmission distance among all optical communication systems. This paper reviews recent research efforts in the field and examines future possibilities that might lead toward potential practical use of these systems. Additionally, phase estimation techniques based on feed-forward phase recovery and digital delay-lock loop approaches are examined, simulated, and compared.

Giant enhancement in Goos-Hänchen shift at the singular phase of a nanophotonic cavity

NASA Astrophysics Data System (ADS)

Sreekanth, Kandammathe Valiyaveedu; Ouyang, Qingling; Han, Song; Yong, Ken-Tye; Singh, Ranjan

2018-04-01

In this letter, we experimentally demonstrate thirtyfold enhancement in Goos-Hänchen shift at the Brewster angle of a nanophotonic cavity that operates at the wavelength of 632.8 nm. In particular, the point-of-darkness and the singular phase are achieved using a four-layered metal-dielectric-dielectric-metal asymmetric Fabry-Perot cavity. A highly absorbing ultra-thin layer of germanium in the stack gives rise to the singular phase and the enhanced Goos-Hänchen shift at the point-of-darkness. The obtained giant Goos-Hänchen shift in the lithography-free nanophotonic cavity could enable many intriguing applications including cost-effective label-free biosensors.

Robust phase-shifting interferometry resistant to multiple disturbances

NASA Astrophysics Data System (ADS)

Liu, Qian; Yue, Xiaobin; Li, Lulu; Zhang, Hui; He, Jianguo

2018-04-01

Phase-shifting interferometry (PSI) is sensitive to many disturbances, including the environmental vibration, laser instability, phase-shifting error and camera nonlinearity. A robust PSI (RPSI) based on the temporal spectrum analysis is proposed to suppress the effects of these common disturbances. RPSI retrieves wavefront phase from the temporal Fourier spectrum peak, which is identified by detecting the modulus of spectrum, and a referencing method is presented to improve the phase extracting accuracy. Simulations demonstrate the feasibility and effectiveness of RPSI. Experimental results indicate that RPSI is resistant to common disturbances in implementing PSI and achieves accuracy better than 0.03 rad in the disturbed environment. RPSI relaxes requirements on the hardware, environment and operator, and provides an easy-to-use design of an interferometer.