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

Zammit, Mark C.; Fursa, Dmitry V.; Savage, Jeremy S.

Starting from first principles, this tutorial describes the development of the adiabatic-nuclei convergent close-coupling (CCC) method and its application to electron and (single-centre) positron scattering from diatomic molecules. In this paper, we give full details of the single-centre expansion CCC method, namely the formulation of the molecular target structure; solving the momentum-space coupled-channel Lippmann-Schwinger equation; deriving adiabatic-nuclei cross sections and calculatingmore » $V$-matrix elements. Selected results are presented for electron and positron scattering from molecular hydrogen H$$_2$$ and electron scattering from the vibrationally excited molecular hydrogen ion H$$_2^+$$ and its isotopologues (D$$_2^+$$, T$$_2^+$$, HD$^+$, HT$^+$ and TD$^+$). Finally, convergence in both the close-coupling (target state) and projectile partial-wave expansions of fixed-nuclei electron- and positron-molecule scattering calculations is demonstrated over a broad energy-range and discussed in detail. In general the CCC results are in good agreement with experiments.« less

CCC calculated differential cross sections of electron-H2 scattering

NASA Astrophysics Data System (ADS)

Fursa, Dmitry; Zammit, Mark; Savage, Jeremy; Bray, Igor

2016-09-01

Recently we applied the molecular convergent close-coupling (CCC) method to electron scattering from molecular hydrogen H2. Convergence of the major differential cross sections has been explicitly demonstrated in the fixed-nuclei approximation. A large close-coupling expansion that coupled highly excited states and ionization channels proved to be important to obtain convergent results. Here we present benchmark elastic and electronic excitation differential cross sections for b3Σu+ , a3Σg+ , c3Πu , B1Σu+ , EF1Σg+ , C1Πu , and e3Σu+ states and compare with available experiment and previous calculations. Work supported by Los Alamos National Laboratory and Curtin University.

The dependency paradox in close relationships: accepting dependence promotes independence.

PubMed

Feeney, Brooke C

2007-02-01

Using multiple methods, this investigation tested the hypothesis that a close relationship partner's acceptance of dependence when needed (e.g., sensitive responsiveness to distress cues) is associated with less dependence, more autonomous functioning, and more self-sufficiency (as opposed to more dependence) on the part of the supported individual. In two studies, measures of acceptance of dependency needs and independent functioning were obtained through couple member reports, by observing couple members' behaviors during laboratory interactions, by observing responses to experimentally manipulated partner assistance provided during an individual laboratory task, and by following couples over a period of 6 months to examine independent goal striving as a function of prior assessments of dependency acceptance. Results provided converging evidence in support of the proposed hypothesis. Implications of the importance of close relationships for optimal individual functioning are discussed. ((c) 2007 APA, all rights reserved).

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.

System identification of closed-loop cardiovascular control mechanisms: diabetic autonomic neuropathy

NASA Technical Reports Server (NTRS)

Mukkamala, R.; Mathias, J. M.; Mullen, T. J.; Cohen, R. J.; Freeman, R.

1999-01-01

We applied cardiovascular system identification (CSI) to characterize closed-loop cardiovascular regulation in patients with diabetic autonomic neuropathy (DAN). The CSI method quantitatively analyzes beat-to-beat fluctuations in noninvasively measured heart rate, arterial blood pressure (ABP), and instantaneous lung volume (ILV) to characterize four physiological coupling mechanisms, two of which are autonomically mediated (the heart rate baroreflex and the coupling of respiration, measured in terms of ILV, to heart rate) and two of which are mechanically mediated (the coupling of ventricular contraction to the generation of the ABP wavelet and the coupling of respiration to ABP). We studied 37 control and 60 diabetic subjects who were classified as having minimal, moderate, or severe DAN on the basis of standard autonomic tests. The autonomically mediated couplings progressively decreased with increasing severity of DAN, whereas the mechanically mediated couplings were essentially unchanged. CSI identified differences between the minimal DAN and control groups, which were indistinguishable based on the standard autonomic tests. CSI may provide a powerful tool for assessing DAN.

Hyperspherical close-coupling calculations for charge-transfer cross sections in He2++H(1s) collisions at low energies

NASA Astrophysics Data System (ADS)

Liu, Chien-Nan; Le, Anh-Thu; Morishita, Toru; Esry, B. D.; Lin, C. D.

2003-05-01

A theory for ion-atom collisions at low energies based on the hyperspherical close-coupling (HSCC) method is presented. In hyperspherical coordinates the wave function is expanded in analogy to the Born-Oppenheimer approximation where the adiabatic channel functions are calculated with B-spline basis functions while the coupled hyperradial equations are solved by a combination of R-matrix propagation and the slow/smooth variable discretization method. The HSCC method is applied to calculate charge-transfer cross sections for He2++H(1s)→He+(n=2)+H+ reactions at center-of-mass energies from 10 eV to 4 keV. The results are shown to be in general good agreement with calculations based on the molecular orbital (MO) expansion method where electron translation factors (ETF’s) or switching functions have been incorporated in each MO. However, discrepancies were found at very low energies. It is shown that the HSCC method can be used to study low-energy ion-atom collisions without the need to introduce the ad hoc ETF’s, and the results are free from ambiguities associated with the traditional MO expansion approach.

Time Delay Effect in a Living Coupled Oscillator System with the Plasmodium of Physarum polycephalum

NASA Astrophysics Data System (ADS)

Takamatsu, Atsuko; Fujii, Teruo; Endo, Isao

2000-08-01

A living coupled oscillator system was constructed by a cell patterning method with a plasmodial slime mold, in which parameters such as coupling strength and distance between the oscillators can be systematically controlled. Rich oscillation phenomena between the two-coupled oscillators, namely, desynchronizing and antiphase/in-phase synchronization were observed according to these parameters. Both experimental and theoretical approaches showed that these phenomena are closely related to the time delay effect in interactions between the oscillators.

Charge Transfer in Collisions of S^4+ with H.

NASA Astrophysics Data System (ADS)

Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-05-01

Charge transfer processes due to collisions of ground state S^4+ ions with atomic hydrogen were investigated for energies between 1 meV/u and 10 MeV/u using the quantum-mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC), and continuum distorted wave methods. The MOCC calculations utilized ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially-stripped S^3+ excited classical states. Hydrogen target isotope effects were explored and rate coefficients for temperatures between 100 and 10^6 K will be presented

Charge Transfer in Collisions of S^4+ with He.

NASA Astrophysics Data System (ADS)

Wang, J. G.; Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-05-01

Charge transfer processes due to collisions of ground state S^4+ ions with atomic helium were investigated for energies between 0.1 meV/u and 10 MeV/u. Total and state-selective cross sections and rate coefficients were obtained utilizing the quantum-mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC), and continuum distorted wave methods. The MOCC calculations utilized ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were also explored. Previous data are limited to an earlier Landau-Zener calculation of the total rate coefficient for which our results are two orders of magnitude larger. An observed multichannel interference effect in the MOCC results will also be discussed.

Tandem robot control system and method for controlling mobile robots in tandem

DOEpatents

Hayward, David R.; Buttz, James H.; Shirey, David L.

2002-01-01

A control system for controlling mobile robots provides a way to control mobile robots, connected in tandem with coupling devices, to navigate across difficult terrain or in closed spaces. The mobile robots can be controlled cooperatively as a coupled system in linked mode or controlled individually as separate robots.

Fuel injection system and method of operating the same for an engine

DOEpatents

Topinka, Jennifer Ann [Niskayuna, NY; DeLancey, James Peter [Corinth, NY; Primus, Roy James [Niskayuna, NY; Pintgen, Florian Peter [Niskayuna, NY

2011-02-15

A fuel injector is coupled to an engine. The fuel injector includes an injection opening configured to vary in cross-section between a open state and a fully closed state. The fuel injector is configured to provide a plurality of discrete commanded fuel injections into an engine cylinder by modulating the size of the injection opening without completely closing the opening to the fully closed state.

A novel potential/viscous flow coupling technique for computing helicopter flow fields

NASA Technical Reports Server (NTRS)

Summa, J. Michael; Strash, Daniel J.; Yoo, Sungyul

1990-01-01

Because of the complexity of helicopter flow field, a zonal method of analysis of computational aerodynamics is required. Here, a new procedure for coupling potential and viscous flow is proposed. An overlapping, velocity coupling technique is to be developed with the unique feature that the potential flow surface singularity strengths are obtained directly from the Navier-Stokes at a smoother inner fluid boundary. The closed-loop iteration method proceeds until the velocity field is converged. This coupling should provide the means of more accurate viscous computations of the near-body and rotor flow fields with resultant improved analysis of such important performance parameters as helicopter fuselage drag and rotor airloads.

Coupled Riccati equations for complex plane constraint

NASA Technical Reports Server (NTRS)

Strong, Kristin M.; Sesak, John R.

1991-01-01

A new Linear Quadratic Gaussian design method is presented which provides prescribed imaginary axis pole placement for optimal control and estimation systems. This procedure contributes another degree of design freedom to flexible spacecraft control. Current design methods which interject modal damping into the system tend to have little affect on modal frequencies, i.e., they predictably shift open plant poles horizontally in the complex plane to form the closed loop controller or estimator pole constellation, but make little provision for vertical (imaginary axis) pole shifts. Imaginary axis shifts which reduce the closed loop model frequencies (the bandwidths) are desirable since they reduce the sensitivity of the system to noise disturbances. The new method drives the closed loop modal frequencies to predictable (specified) levels, frequencies as low as zero rad/sec (real axis pole placement) can be achieved. The design procedure works through rotational and translational destabilizations of the plant, and a coupling of two independently solved algebraic Riccati equations through a structured state weighting matrix. Two new concepts, gain transference and Q equivalency, are introduced and their use shown.

Modeling and simulation of ocean wave propagation using lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Nuraiman, Dian

2017-10-01

In this paper, we present on modeling and simulation of ocean wave propagation from the deep sea to the shoreline. This requires high computational cost for simulation with large domain. We propose to couple a 1D shallow water equations (SWE) model with a 2D incompressible Navier-Stokes equations (NSE) model in order to reduce the computational cost. The coupled model is solved using the lattice Boltzmann method (LBM) with the lattice Bhatnagar-Gross-Krook (BGK) scheme. Additionally, a special method is implemented to treat the complex behavior of free surface close to the shoreline. The result shows the coupled model can reduce computational cost significantly compared to the full NSE model.

Electron capture in collisions of S4+ with atomic hydrogen

NASA Astrophysics Data System (ADS)

Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-06-01

Charge transfer processes due to collisions of ground state S4+(3s2 1S) ions with atomic hydrogen are investigated for energies between 1 meV u-1 and 10 MeV u-1 using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S3+ excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 106 K are also presented.

Charge Exchange of Ne^9+ for X-ray Emission

NASA Astrophysics Data System (ADS)

Lyons, David

2016-01-01

Using the molecular-orbital close-coupling (MOCC) method, single electron capture (SEC) cross sections were computed for Ne^9+ colliding with H.Potential energies and nonadiabatic couplings were calculated and used to obtain the MOCC cross sections which are final-quantum-state-resolved including a separation of singlet and triplet states. Atomic-orbital close-coupling, classical trajectory Monte Carlo, and multichannel Landau-Zener (MCLZ) calculations are also performed. Cross sections for more complicated targets including He, H2, N2, H2O, CO, and CO2, were obtained with the MCLZ method. The SEC results are compared with experimental and other theoretical data, where available. The SEC cross sections are being used in cascade models to predict X-ray emission spectra relevant to solar systemand astrophysical environments.D. Lyons, R. S. Cumbee, P. D. Mullen, P. C. Stancil (UGA), D. R. Schultz (UNT), P. Liebermann (Wuppertal Univ.),R. Buenker (NCSU).This work was partially supported by NASA grant NNX09AC46G.

System identification of closed-loop cardiovascular control: effects of posture and autonomic blockade

NASA Technical Reports Server (NTRS)

Mullen, T. J.; Appel, M. L.; Mukkamala, R.; Mathias, J. M.; Cohen, R. J.

1997-01-01

We applied system identification to the analysis of fluctuations in heart rate (HR), arterial blood pressure (ABP), and instantaneous lung volume (ILV) to characterize quantitatively the physiological mechanisms responsible for the couplings between these variables. We characterized two autonomically mediated coupling mechanisms [the heart rate baroreflex (HR baroreflex) and respiratory sinus arrhythmia (ILV-HR)] and two mechanically mediated coupling mechanisms [the blood pressure wavelet generated with each cardiac contraction (circulatory mechanics) and the direct mechanical effects of respiration on blood pressure (ILV-->ABP)]. We evaluated the method in humans studied in the supine and standing postures under control conditions and under conditions of beta-sympathetic and parasympathetic pharmacological blockades. Combined beta-sympathetic and parasympathetic blockade abolished the autonomically mediated couplings while preserving the mechanically mediated coupling. Selective autonomic blockade and postural changes also altered the couplings in a manner consistent with known physiological mechanisms. System identification is an "inverse-modeling" technique that provides a means for creating a closed-loop model of cardiovascular regulation for an individual subject without altering the underlying physiological control mechanisms.

Rotational quenching of H2CO by molecular hydrogen: cross-sections, rates and pressure broadening

NASA Astrophysics Data System (ADS)

Wiesenfeld, L.; Faure, A.

2013-07-01

We compute the rotational quenching rates of the first 81 rotational levels of ortho- and para-H2CO in collision with ortho- and para-H2, for a temperature range of 10-300 K. We make use of the quantum close-coupling and coupled-state scattering methods combined with the high accuracy potential energy surface of Troscompt et al. Rates are significantly different from the scaled rates of H2CO in collision with He; consequently, critical densities are notably lower. We compare a full close-coupling computation of pressure broadening cross-sections with experimental data and show that our results are compatible with the low-temperature measurements of Mengel & De Lucia, for a spin temperature of H2 around 50 K.

On the joint inversion of geophysical data for models of the coupled core-mantle system

NASA Technical Reports Server (NTRS)

Voorhies, Coerte V.

1991-01-01

Joint inversion of magnetic, earth rotation, geoid, and seismic data for a unified model of the coupled core-mantle system is proposed and shown to be possible. A sample objective function is offered and simplified by targeting results from independent inversions and summary travel time residuals instead of original observations. These data are parameterized in terms of a very simple, closed model of the topographically coupled core-mantle system. Minimization of the simplified objective function leads to a nonlinear inverse problem; an iterative method for solution is presented. Parameterization and method are emphasized; numerical results are not presented.

LETTER TO THE EDITOR: Iteratively-coupled propagating exterior complex scaling method for electron hydrogen collisions

NASA Astrophysics Data System (ADS)

Bartlett, Philip L.; Stelbovics, Andris T.; Bray, Igor

2004-02-01

A newly-derived iterative coupling procedure for the propagating exterior complex scaling (PECS) method is used to efficiently calculate the electron-impact wavefunctions for atomic hydrogen. An overview of this method is given along with methods for extracting scattering cross sections. Differential scattering cross sections at 30 eV are presented for the electron-impact excitation to the n = 1, 2, 3 and 4 final states, for both PECS and convergent close coupling (CCC), which are in excellent agreement with each other and with experiment. PECS results are presented at 27.2 eV and 30 eV for symmetric and asymmetric energy-sharing triple differential cross sections, which are in excellent agreement with CCC and exterior complex scaling calculations, and with experimental data. At these intermediate energies, the efficiency of the PECS method with iterative coupling has allowed highly accurate partial-wave solutions of the full Schrödinger equation, for L les 50 and a large number of coupled angular momentum states, to be obtained with minimal computing resources.

Sensing mode coupling analysis for dual-mass MEMS gyroscope and bandwidth expansion within wide-temperature range

NASA Astrophysics Data System (ADS)

Cao, Huiliang; Li, Hongsheng; Shao, Xingling; Liu, Zhiyu; Kou, Zhiwei; Shan, Yanhu; Shi, Yunbo; Shen, Chong; Liu, Jun

2018-01-01

This paper presents the bandwidth expanding method with wide-temperature range for sense mode coupling dual-mass MEMS gyro. The real sensing mode of the gyroscope is analyzed to be the superposition of in-phase and anti-phase sensing modes. The mechanical sensitivity and bandwidth of the gyroscope structure are conflicted with each other and both governed by the frequency difference between sensing and drive modes (min {Δω1, Δω2}). The sensing mode force rebalancing combs stimulation method (FRCSM) is presented to simulate the Coriolis force, and based on this method, the gyro's dynamic characteristics are tested. The sensing closed- loop controller is achieved by operational amplifier based on phase lead method, which enable the magnitude margin and phase margin of the system to reach 7.21 dB and 34.6° respectively, and the closed-loop system also expands gyro bandwidth from 13 Hz (sensing open-loop) to 102 Hz (sensing closed-loop). What's more, the turntable test results show that the sensing closed-loop works stably in wide-temperature range (from -40 °C to 60 °C) and the bandwidth values are 107 Hz @-40 °C and 97 Hz @60 °C. The results indicate that the higher temperature causes lower bandwidth, and verify the simulation results are 103 Hz @-40 °C and 98.2 Hz @60 °C. The new bottleneck of the closed loop bandwidth is the valley generated by conjugate zeros, which is formed by superposition of sensing modes.

Transient simulation of hydropower station with consideration of three-dimensional unsteady flow in turbine

NASA Astrophysics Data System (ADS)

Huang, W. D.; Fan, H. G.; Chen, N. X.

2012-11-01

To study the interaction between the transient flow in pipe and the unsteady turbulent flow in turbine, a coupled model of the transient flow in the pipe and three-dimensional unsteady flow in the turbine is developed based on the method of characteristics and the fluid governing equation in the accelerated rotational relative coordinate. The load-rejection process under the closing of guide vanes of the hydraulic power plant is simulated by the coupled method, the traditional transient simulation method and traditional three-dimensional unsteady flow calculation method respectively and the results are compared. The pressure, unit flux and rotation speed calculated by three methods show a similar change trend. However, because the elastic water hammer in the pipe and the pressure fluctuation in the turbine have been considered in the coupled method, the increase of pressure at spiral inlet is higher and the pressure fluctuation in turbine is stronger.

Vibrational and rotational transitions in low-energy electron-diatomic-molecule collisions. I - Close-coupling theory in the moving body-fixed frame. II - Hybrid theory and close-coupling theory: An /l subscript z-prime/-conserving close-coupling approximation

NASA Technical Reports Server (NTRS)

Choi, B. H.; Poe, R. T.

1977-01-01

A detailed vibrational-rotational (V-R) close-coupling formulation of electron-diatomic-molecule scattering is developed in which the target molecular axis is chosen to be the z-axis and the resulting coupled differential equation is solved in the moving body-fixed frame throughout the entire interaction region. The coupled differential equation and asymptotic boundary conditions in the body-fixed frame are given for each parity, and procedures are outlined for evaluating V-R transition cross sections on the basis of the body-fixed transition and reactance matrix elements. Conditions are discussed for obtaining identical results from the space-fixed and body-fixed formulations in the case where a finite truncated basis set is used. The hybrid theory of Chandra and Temkin (1976) is then reformulated, relevant expressions and formulas for the simultaneous V-R transitions of the hybrid theory are obtained in the same forms as those of the V-R close-coupling theory, and distorted-wave Born-approximation expressions for the cross sections of the hybrid theory are presented. A close-coupling approximation that conserves the internuclear axis component of the incident electronic angular momentum (l subscript z-prime) is derived from the V-R close-coupling formulation in the moving body-fixed frame.

The Story of Closely and Loosely Coupled Organisations.

ERIC Educational Resources Information Center

Plowman, Travis S.

1998-01-01

Examines five types of collegiate organizations (collegial, bureaucratic, political, anarchical, cybernetic) in terms of their interactiveness within closely and loosely coupled organizations. The terminology of closely and loosely coupled organizations is examined and existing definitions are refined. Examples are drawn from contemporary…

Electron capture cross sections by O+ from atomic He

NASA Astrophysics Data System (ADS)

Joseph, Dwayne C.; Saha, Bidhan C.

2009-11-01

The adiabatic representation is used in both the quantal and semi classical molecular orbital close coupling methods (MOCC) to evaluate charge exchange cross sections. Our results show good agreement with experimental cross sections

Electron capture in collisions of Si3+ ions with atomic hydrogen from low to intermediate energies

NASA Astrophysics Data System (ADS)

Liu, C. H.; Liu, L.; Wang, J. G.

2014-07-01

The electron capture process for the Si3+(3s) + H(1s) collisions is investigated by the quantum-mechanical molecular orbital close-coupling (MOCC) method and by the two-center atomic orbital close-coupling (AOCC) method in the energy range of 10-5-10 keV/u and 0.8-200 keV/u, respectively. Total and state-selective cross sections are presented and compared with the available theoretical and experimental results. The present MOCC and AOCC results agree well with the experimental measurements, but show some discrepancy with the calculations of Wang et al. [Phys. Rev. A 74, 052709 (2006), 10.1103/PhysRevA.74.052709] at E > 40 eV/u because of the inclusion of rotational couplings, which play important roles in the electron capture process. At lower energies, the present results are about three to five times smaller than those of Wang et al. due to the difference in the molecular data at large internuclear distances. The energy behaviors of the electron capture cross sections are discussed on the basis of identified reaction mechanisms.

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

Mitrofanov, Oleg; Han, Zhanghua; Ding, Fei

(THz) plasmonic double-metal resonators enable enhanced light-matter coupling by utilizing strong localization of the resonant field. The closed resonator design however restricts investigations of the light-matter interaction effects. We propose and demonstrate a method for spatial mapping and spectroscopic analysis of the internal resonant THz fields in plasmonic double-metal THz resonators. We use the aperture-type scanning near-field THz time-domain microscopy and the concept of image charges to probe the THz fields confined within the resonator. The experimental method opens doors to studies of light-matter coupling in deeply sub-wavelength volumes at THz frequencies.

The coupling technique: A two-wave acoustic method for the study of dislocation dynamics

NASA Astrophysics Data System (ADS)

Gremaud, G.; Bujard, M.; Benoit, W.

1987-03-01

Progress in the study of dislocation dynamics has been achieved using a two-wave acoustic method, which has been called the coupling technique. In this method, the attenuation α and the velocity v of ultrasonic waves are measured in a sample submitted simultaneously to a harmonic stress σ of low frequency. Closed curves Δα(σ) and Δv/v(σ) are drawn during each cycle of the applied stress. The shapes of these curves and their evolution are characteristic of each dislocation motion mechanism which is activated by the low-frequency applied stress. For this reason, the closed curves Δα(σ) and Δv/v(σ) can be considered as signatures of the interaction mechanism which controls the low-frequency dislocation motion. In this paper, the concept of signature is presented and explained with some experimental examples. It will also be shown that theoretical models can be developed which explain very well the experimental results.

Mechanism of interlayer exchange in magnetic multilayers

NASA Astrophysics Data System (ADS)

Slonczewski, J. C.

1993-09-01

The spin-current method is used to calculate the oscillatory exchange energy that couples two semi-infinite ferromagnets with exchange-split parabolic bands which are joined by a nonmagnetic metallic spacer. A closed asymptotic formula extends the previous RKKY-type formula to the case in which the ferromagnets and spacer have different Fermi vectors. The predicted amplitude of oscillatory coupling increases steeply with Fermi vector or electron density in the spacer, as do the experimental trends reported by Parkin. Numerical computations relevant to iron support this closed formula and show that the amplitude of the biquadratic ( J2 cos 2θ) and higher-order corrections to the conventional - J1 cos θ form of energy is less than 2%.

Large-scale wind-tunnel investigation of a close-coupled canard-delta-wing fighter model through high angles of attack

NASA Technical Reports Server (NTRS)

Stoll, F.; Koenig, D. G.

1983-01-01

Data obtained through very high angles of attack from a large-scale, subsonic wind-tunnel test of a close-coupled canard-delta-wing fighter model are analyzed. The canard delays wing leading-edge vortex breakdown, even for angles of attack at which the canard is completely stalled. A vortex-lattice method was applied which gave good predictions of lift and pitching moment up to an angle of attack of about 20 deg, where vortex-breakdown effects on performance become significant. Pitch-control inputs generally retain full effectiveness up to the angle of attack of maximum lift, beyond which, effectiveness drops off rapidly. A high-angle-of-attack prediction method gives good estimates of lift and drag for the completely stalled aircraft. Roll asymmetry observed at zero sideslip is apparently caused by an asymmetry in the model support structure.

Excitation cross sections for the ns 2S yields np 2P resonance transitions in Mg(+) (n = 3) and Zn(+) (n = 4) using electron-energy-loss and merged-beams methods

NASA Technical Reports Server (NTRS)

Smith, Steven J.; Chutjian, A.; Mitroy, J.; Tayal, S. S.; Henry, Ronald J. W.; Man, K.-F.; Mawhorter, R. J.; Williams, I. D.

1993-01-01

Electron-excitation cross sections are reported for the 3s 2S yields 3p 2P(h, k) resonance transition in Mg(+) at energies from threshold (4.43 eV) to approximately 9 times threshold (40.0 eV). The electron-energy-loss merged-beams technique used in these measurements is described in detail. In addition, the method of separating contributions of the elastically scattered (Coulomb) and the inelastically scattered electrons in the present Mg(+) case and previously reported Zn(+) results is described. Comparisons in the experimental energy range are made for Mg(+) with the two five-state close-coupling theoretical calculations carried out herein, and with other published close-coupling, distorted-wave, and semiempirical calculations. The present Mg(+) cross sections and Zn(+) cross sections from earlier measurements are tabulated.

Line Coupling Effects in the Isotropic Raman Spectra of N2: A Quantum Calculation at Room Temperature

NASA Technical Reports Server (NTRS)

Thibault, Franck; Boulet, Christian; Ma, Qiancheng

2014-01-01

We present quantum calculations of the relaxation matrix for the Q branch of N2 at room temperature using a recently proposed N2-N2 rigid rotor potential. Close coupling calculations were complemented by coupled states studies at high energies and provide about 10200 two-body state-to state cross sections from which the needed one-body cross-sections may be obtained. For such temperatures, convergence has to be thoroughly analyzed since such conditions are close to the limit of current computational feasibility. This has been done using complementary calculations based on the energy corrected sudden formalism. Agreement of these quantum predictions with experimental data is good, but the main goal of this work is to provide a benchmark relaxation matrix for testing more approximate methods which remain of a great utility for complex molecular systems at room (and higher) temperatures.

CCC calculated integrated cross sections of electron-H2 scattering

NASA Astrophysics Data System (ADS)

Zammit, Mark; Fursa, Dmitry; Savage, Jeremy; Bray, Igor

2016-09-01

Recently we applied the molecular convergent close-coupling (CCC) method to electron scattering from molecular hydrogen H2. Convergence of the major integrated cross sections has been explicitly demonstrated in the fixed-nuclei approximation by increasing the number of H2 target states in the close-coupling expansion from 9 to 491. The calculations have been performed using a projectile partial wave expansion with maximum orbital angular momentum Lmax = 8 and total orbital angular momentum projections | M | <= 8 . Coupling to the ionization continuum is modeled via a large pseudo state expansion, which we found is required to obtain reliable elastic and excitation cross sections. Here we present benchmark elastic, single-ionization, electronic excitation and total integrated cross sections over a broad energy range (0.1 to 300 eV) and compare with available experiment and previous calculations. Los Alamos National Laboratory and Curtin University.

Hyperfine coupling constants of the nitrogen and phosphorus atoms: A challenge for exact-exchange density-functional and post-Hartree-Fock methods

NASA Astrophysics Data System (ADS)

Kaupp, Martin; Arbuznikov, Alexei V.; Heßelmann, Andreas; Görling, Andreas

2010-05-01

The isotropic hyperfine coupling constants of the free N(S4) and P(S4) atoms have been evaluated with high-level post-Hartree-Fock and density-functional methods. The phosphorus hyperfine coupling presents a significant challenge to both types of methods. With large basis sets, MP2 and coupled-cluster singles and doubles calculations give much too small values for the phosphorus atom. Triple excitations are needed in coupled-cluster calculations to achieve reasonable agreement with experiment. None of the standard density functionals reproduce even the correct sign of this hyperfine coupling. Similarly, the computed hyperfine couplings depend crucially on the self-consistent treatment in exact-exchange density-functional theory within the optimized effective potential (OEP) method. Well-balanced auxiliary and orbital basis sets are needed for basis-expansion exact-exchange-only OEP approaches to come close to Hartree-Fock or numerical OEP data. Results from the localized Hartree-Fock and Krieger-Li-Iafrate approximations deviate notably from exact OEP data in spite of very similar total energies. Of the functionals tested, only full exact-exchange methods augmented by a correlation functional gave at least the correct sign of the P(S4) hyperfine coupling but with too low absolute values. The subtle interplay between the spin-polarization contributions of the different core shells has been analyzed, and the influence of even very small changes in the exchange-correlation potential could be identified.

Excitonic couplings between molecular crystal pairs by a multistate approximation

NASA Astrophysics Data System (ADS)

Aragó, Juan; Troisi, Alessandro

2015-04-01

In this paper, we present a diabatization scheme to compute the excitonic couplings between an arbitrary number of states in molecular pairs. The method is based on an algebraic procedure to find the diabatic states with a desired property as close as possible to that of some reference states. In common with other diabatization schemes, this method captures the physics of the important short-range contributions (exchange, overlap, and charge-transfer mediated terms) but it becomes particularly suitable in presence of more than two states of interest. The method is formulated to be usable with any level of electronic structure calculations and to diabatize different types of states by selecting different molecular properties. These features make the diabatization scheme presented here especially appropriate in the context of organic crystals, where several excitons localized on the same molecular pair may be found close in energy. In this paper, the method is validated on the tetracene crystal dimer, a well characterized case where the charge transfer (CT) states are closer in energy to the Frenkel excitons (FE). The test system was studied as a function of an external electric field (to explore the effect of changing the relative energy of the CT excited state) and as a function of different intermolecular distances (to probe the strength of the coupling between FE and CT states). Additionally, we illustrate how the approximation can be used to include the environment polarization effect.

Near Continuum Velocity and Temperature Coupled Compressible Boundary Layer Flow over a Flat Plate

NASA Astrophysics Data System (ADS)

He, Xin; Cai, Chunpei

2017-04-01

The problem of a compressible gas flows over a flat plate with the velocity-slip and temperature-jump boundary conditions are being studied. The standard single- shooting method is applied to obtain the exact solutions for velocity and temperature profiles when the momentum and energy equations are weakly coupled. A double-shooting method is applied if these two equations are closely coupled. If the temperature affects the velocity directly, more significant velocity slip happens at locations closer to the plate's leading edge, and inflections on the velocity profiles appear, indicating flows may become unstable. As a consequence, the temperature-jump and velocity-slip boundary conditions may trigger earlier flow transitions from a laminar to a turbulent flow state.

Internal combustion engine and method for control

DOEpatents

Brennan, Daniel G

2013-05-21

In one exemplary embodiment of the invention an internal combustion engine includes a piston disposed in a cylinder, a valve configured to control flow of air into the cylinder and an actuator coupled to the valve to control a position of the valve. The internal combustion engine also includes a controller coupled to the actuator, wherein the controller is configured to close the valve when an uncontrolled condition for the internal engine is determined.

Detection of internal fields in double-metal terahertz resonators

DOE PAGES

Mitrofanov, Oleg; Han, Zhanghua; Ding, Fei; ...

2017-02-06

(THz) plasmonic double-metal resonators enable enhanced light-matter coupling by utilizing strong localization of the resonant field. The closed resonator design however restricts investigations of the light-matter interaction effects. We propose and demonstrate a method for spatial mapping and spectroscopic analysis of the internal resonant THz fields in plasmonic double-metal THz resonators. We use the aperture-type scanning near-field THz time-domain microscopy and the concept of image charges to probe the THz fields confined within the resonator. The experimental method opens doors to studies of light-matter coupling in deeply sub-wavelength volumes at THz frequencies.

Charge transfer between O6+ and atomic hydrogen

NASA Astrophysics Data System (ADS)

Wu, Y.; Stancil, P. C.; Liebermann, H. P.; Buenker, R. J.; Schultz, D. R.; Hui, Y.

2011-05-01

The charge exchange process has been found to play a dominant role in the production of X-rays and/or EUV photons observed in cometary and planetary atmospheres and from the heliosphere. Charge transfer cross sections, especially state-selective cross sections, are necessary parameters in simulations of X-ray emission. In the present work, charge transfer due to collisions of ground state O6+(1s2 1 S) with atomic hydrogen has been investigated theoretically using the quantum-mechanical molecular-orbital close-coupling method (QMOCC). The multi-reference single- and double-excitation configuration interaction approach (MRDCI) has been applied to compute the adiabatic potential and nonadiabatic couplings, and the atomic basis sets used have been optimized with the method proposed previously to obtain precise potential data. Total and state-selective cross sections are calculated for energies between 10 meV/u and 10 keV/u. The QMOCC results are compared to available experimental and theoretical data as well as to new atomic-orbital close-coupling (AOCC) and classical trajectory Monte Carlo (CTMC) calculations. A recommended set of cross sections, based on the MOCC, AOCC, and CTMC calculations, is deduced which should aid in X-ray modeling studies.

Sliding mode control for a two-joint coupling nonlinear system based on extended state observer.

PubMed

Zhao, Ling; Cheng, Haiyan; Wang, Tao

2018-02-01

A two-joint coupling nonlinear system driven by pneumatic artificial muscles is introduced in this paper. A sliding mode controller with extended state observer is proposed to cope with nonlinearities and disturbances for the two-joint coupling nonlinear system. In addition, convergence of the extended state observer is presented and stability analysis of the closed-loop system is also demonstrated with the sliding mode controller. Lastly, some experiments are carried out to show the reality effectiveness of the proposed method. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

Symbolic joint entropy reveals the coupling of various brain regions

NASA Astrophysics Data System (ADS)

Ma, Xiaofei; Huang, Xiaolin; Du, Sidan; Liu, Hongxing; Ning, Xinbao

2018-01-01

The convergence and divergence of oscillatory behavior of different brain regions are very important for the procedure of information processing. Measurements of coupling or correlation are very useful to study the difference of brain activities. In this study, EEG signals were collected from ten subjects under two conditions, i.e. eyes closed state and idle with eyes open. We propose a nonlinear algorithm, symbolic joint entropy, to compare the coupling strength among the frontal, temporal, parietal and occipital lobes and between two different states. Instead of decomposing the EEG into different frequency bands (theta, alpha, beta, gamma etc.), the novel algorithm is to investigate the coupling from the entire spectrum of brain wave activities above 4Hz. The coupling coefficients in two states with different time delay steps are compared and the group statistics are presented as well. We find that the coupling coefficient of eyes open state with delay consistently lower than that of eyes close state across the group except for one subject, whereas the results without delay are not consistent. The differences between two brain states with non-zero delay can reveal the intrinsic inter-region coupling better. We also use the well-known Hénon map data to validate the algorithm proposed in this paper. The result shows that the method is robust and has a great potential for other physiologic time series.

A new approach based on off-line coupling of high-performance liquid chromatography with gas chromatography-mass spectrometry to determine acrylamide in coffee brew.

PubMed

Blanch, Gracia Patricia; Morales, Francisco José; Moreno, Fernando de la Peña; del Castillo, María Luisa Ruiz

2013-01-01

A new method based on off-line coupling of LC with GC in replacement of conventional sample preparation techniques is proposed to analyze acrylamide in coffee brews. The method involves the preseparation of the sample by LC, the collection of the selected fraction, its concentration under nitrogen, and subsequent analysis by GC coupled with MS. The composition of the LC mobile phase and the flow rate were studied to select those conditions that allowed separation of acrylamide without coeluting compounds. Under the conditions selected recoveries close to 100% were achieved while LODs and LOQs equal to 5 and 10 μg/L for acrylamide in brewed coffee were obtained. The method developed enabled the reliable detection of acrylamide in spiked coffee beverage samples without further clean-up steps or sample manipulation. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic excitation cross section in positron scattering by H2 molecules using distorted-wave method

NASA Astrophysics Data System (ADS)

Weiss, Luciara I.; Pinho, Adriane S. F.; Michelin, Sergio E.; Fujimoto, Milton M.

2018-02-01

In this work we have applied for the first time the distorted-wave approximation (DWA) combined with Schwinger Variational Iterative Method (SVIM) to describe electronic excitation of H2 molecules by positron collisions. The integral (ICS) and differential (DCS) excitation cross sections for X 1 Σ g + → B 1 Σ u + transition of H2 molecule, in the range from near threshold up to 45 eV of positron energies, were reported in static (ST) and static-correlation-polarization (STPOL) levels. Our two-state ICS in DWA-ST level have quantitative agreement with experimental measurement at energies from threshold up to 18 eV and the inclusion of polarization effects increases the cross sections. Comparison with 2-state close-coupling approximation (CCA), 2-state Schwinger Multichannel (SMC), 5-state SMC and 1013-state from Convergent Close-Coupling (CCC) methods are done and is encouraging. The relative steeper drop above 22 eV in experimental ICS was not observed by any theoretical calculations indicating that new measurements would be interesting for this transition in this energy range.

Behaviour and design considerations for continuous flow closed-open-closed liquid microchannels.

PubMed

Melin, Jessica; van der Wijngaart, Wouter; Stemme, Göran

2005-06-01

This paper introduces a method of combining open and closed microchannels in a single component in a novel way which couples the benefits of both open and closed microfluidic systems and introduces interesting on-chip microfluidic behaviour. Fluid behaviour in such a component, based on continuous pressure driven flow and surface tension, is discussed in terms of cross sectional flow behaviour, robustness, flow-pressure performance, and its application to microfluidic interfacing. The closed-open-closed microchannel possesses the versatility of upstream and downstream closed microfluidics along with open fluidic direct access. The device has the advantage of eliminating gas bubbles present upstream when these enter the open channel section. The unique behaviour of this device opens the door to applications including direct liquid sample interfacing without the need for additional and bulky sample tubing.

Convergent close-coupling calculations of positron-magnesium scattering

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

Savage, Jeremy S.; Fursa, Dmitry V.; Bray, Igor

2011-06-15

The single-center convergent close-coupling method has been applied to positron-magnesium scattering at incident energies from 0.01 to 100 eV. Cross sections are presented for elastic scattering and excitation of 3 {sup 1}P, as well as for the total ionization and total scattering processes. We also provide an estimate of the positronium formation cross section. The results agree very well with the measurements of the total cross section by Stein et al. [Nucl. Instrum. Methods Phys. Res. Sect. B 143, 68 (1998)], and consistent with the positronium formation measurements of Surdutovich et al. [Phys. Rev. A 68, 022709 (2003)] for positronmore » energies above the ionization threshold. For energies below the positronium formation threshold (0.8 eV) we find a large P-wave resonance at 0.17 eV. A similar resonance behavior was found by Mitroy and Bromley [Phys. Rev. Lett. 98, 173001 (2007)] at an energy of 0.1 eV.« less

Magnetic exchange couplings from constrained density functional theory: an efficient approach utilizing analytic derivatives.

PubMed

Phillips, Jordan J; Peralta, Juan E

2011-11-14

We introduce a method for evaluating magnetic exchange couplings based on the constrained density functional theory (C-DFT) approach of Rudra, Wu, and Van Voorhis [J. Chem. Phys. 124, 024103 (2006)]. Our method shares the same physical principles as C-DFT but makes use of the fact that the electronic energy changes quadratically and bilinearly with respect to the constraints in the range of interest. This allows us to use coupled perturbed Kohn-Sham spin density functional theory to determine approximately the corrections to the energy of the different spin configurations and construct a priori the relevant energy-landscapes obtained by constrained spin density functional theory. We assess this methodology in a set of binuclear transition-metal complexes and show that it reproduces very closely the results of C-DFT. This demonstrates a proof-of-concept for this method as a potential tool for studying a number of other molecular phenomena. Additionally, routes to improving upon the limitations of this method are discussed. © 2011 American Institute of Physics

Electron capture in collisions of N^+ with H and H^+ with N

NASA Astrophysics Data System (ADS)

Lin, C. Y.; Stancil, P. C.; Gu, J. P.; Buenker, R. J.; Kimura, M.

2004-05-01

Charge transfer processes due to collisions of N^+ with atomic hydrogen and H^+ with atomic nitrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potential curves and nonadiabatic radial and rotational coupling matrix elements obtained with the multireference single- and double-excitation configuration interaction approach. Total and state-selective cross sections for the energy range 0.1-500 eV/u will be presented and compared with existing experimental and theoretical data.

New Methods of Low-Field Magnetic Resonance Imaging for Application to Traumatic Brain Injury

DTIC Science & Technology

2015-02-15

attempt to reduce coupling whilst maintaining B1 homogeneity. Shielding at the ends of the reso- nator prevents high electric fields at the capacitors...penetrating the imaging volume, important because PRF-absorbed ~ E2. Slits in the shielding prevent the formation of closed loops that couple to 19...2, pp. 789–794, May 2007. [23] P. A. Rashid, A. Whitehurst, N. Lawson, and P. M. W. Bath, “ Plasma nitric oxide (ni- trate/nitrite) levels in acute

Electrical crosstalk-coupling measurement and analysis for digital closed loop fibre optic gyro

NASA Astrophysics Data System (ADS)

Jin, Jing; Tian, Hai-Ting; Pan, Xiong; Song, Ning-Fang

2010-03-01

The phase modulation and the closed-loop controller can generate electrical crosstalk-coupling in digital closed-loop fibre optic gyro. Four electrical cross-coupling paths are verified by the open-loop testing approach. It is found the variation of ramp amplitude will lead to the alternation of gyro bias. The amplitude and the phase parameters of the electrical crosstalk signal are measured by lock-in amplifier, and the variation of gyro bias is confirmed to be caused by the alternation of phase according to the amplitude of the ramp. A digital closed-loop fibre optic gyro electrical crosstalk-coupling model is built by approximating the electrical cross-coupling paths as a proportion and integration segment. The results of simulation and experiment show that the modulation signal electrical crosstalk-coupling can cause the dead zone of the gyro when a small angular velocity is inputted, and it could also lead to a periodic vibration of the bias error of the gyro when a large angular velocity is inputted.

Profiles of dyadic adjustment for advanced prostate cancer to inform couple-based intervention.

PubMed

Elliott, Kate-Ellen J; Scott, Jennifer L; Monsour, Michael; Nuwayhid, Fadi

2015-01-01

The purpose of the study is to describe from a relational perspective, partners' psychological adjustment, coping and support needs for advanced prostate cancer. A mixed methods design was adopted, employing triangulation of qualitative and quantitative data, to produce dyadic profiles of adjustment for six couples recruited from the urology clinics of local hospitals in Tasmania, Australia. Dyads completed a video-taped communication task, semi-structured interview and standardised self-report questionnaires. Themes identified were associated with the dyadic challenges of the disease experience (e.g. relationship intimacy, disease progression and carer burden). Couples with poor psychological adjustment profiles had both clinical and global locus of distress, treatment side-effects, carer burden and poor general health. Resilient couples demonstrated relationship closeness and adaptive cognitive and behavioural coping strategies. The themes informed the adaption of an effective program for couples coping with women's cancers (CanCOPE, to create a program for couples facing advanced prostate cancer (ProCOPE-Adv). Mixed method results inform the development of psychological therapy components for couples coping with advanced prostate cancer. The concomitance of co-morbid health problems may have implications for access and engagement for older adult populations in face-to-face intervention.

On the accuracy of the 'decoupled l-dominant' approximation for atom-molecule scattering

NASA Technical Reports Server (NTRS)

Green, S.

1976-01-01

Cross sections for rotational excitation and spectral pressure broadening of HD, HCl, CO, and HCN due to collisions with low energy He atoms have been computed within the 'decoupled l-dominant' (DLD) approximation and are compared with accurate close coupling results and also with two similar approximations, the effective potential of Rabitz and the coupled states of McGuire and Kouri. DLD predictions of state-to-state cross sections are rather good, being only slightly less accurate than coupled states results. DLD is far superior to either the coupled states or effective potential methods for pressure broadening calculations, although it may not be uniformly of the quantitative accuracy desirable for obtaining intermolecular potentials from experimental data.

Output Feedback Stabilization for a Class of Multi-Variable Bilinear Stochastic Systems with Stochastic Coupling Attenuation

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

Zhang, Qichun; Zhou, Jinglin; Wang, Hong

In this paper, stochastic coupling attenuation is investigated for a class of multi-variable bilinear stochastic systems and a novel output feedback m-block backstepping controller with linear estimator is designed, where gradient descent optimization is used to tune the design parameters of the controller. It has been shown that the trajectories of the closed-loop stochastic systems are bounded in probability sense and the stochastic coupling of the system outputs can be effectively attenuated by the proposed control algorithm. Moreover, the stability of the stochastic systems is analyzed and the effectiveness of the proposed method has been demonstrated using a simulated example.

Adaptive relative pose control of spacecraft with model couplings and uncertainties

NASA Astrophysics Data System (ADS)

Sun, Liang; Zheng, Zewei

2018-02-01

The spacecraft pose tracking control problem for an uncertain pursuer approaching to a space target is researched in this paper. After modeling the nonlinearly coupled dynamics for relative translational and rotational motions between two spacecraft, position tracking and attitude synchronization controllers are developed independently by using a robust adaptive control approach. The unknown kinematic couplings, parametric uncertainties, and bounded external disturbances are handled with adaptive updating laws. It is proved via Lyapunov method that the pose tracking errors converge to zero asymptotically. Spacecraft close-range rendezvous and proximity operations are introduced as an example to validate the effectiveness of the proposed control approach.

Accurate determinations of one-bond 13C-13C couplings in 13C-labeled carbohydrates

NASA Astrophysics Data System (ADS)

Azurmendi, Hugo F.; Freedberg, Darón I.

2013-03-01

Carbon plays a central role in the molecular architecture of carbohydrates, yet the availability of accurate methods for 1DCC determination has not been sufficiently explored, despite the importance that such data could play in structural studies of oligo- and polysaccharides. Existing methods require fitting intensity ratios of cross- to diagonal-peaks as a function of the constant-time (CT) in CT-COSY experiments, while other methods utilize measurement of peak separation. The former strategies suffer from complications due to peak overlap, primarily in regions close to the diagonal, while the latter strategies are negatively impacted by the common occurrence of strong coupling in sugars, which requires a reliable assessment of their influence in the context of RDC determination. We detail a 13C-13C CT-COSY method that combines a variation in the CT processed with diagonal filtering to yield 1JCC and RDCs. The strategy, which relies solely on cross-peak intensity modulation, is inspired in the cross-peak nulling method used for JHH determinations, but adapted and extended to applications where, like in sugars, large one-bond 13C-13C couplings coexist with relatively small long-range couplings. Because diagonal peaks are not utilized, overlap problems are greatly alleviated. Thus, one-bond couplings can be determined from different cross-peaks as either active or passive coupling. This results in increased accuracy when more than one determination is available, and in more opportunities to measure a specific coupling in the presence of severe overlap. In addition, we evaluate the influence of strong couplings on the determination of RDCs by computer simulations. We show that individual scalar couplings are notably affected by the presence of strong couplings but, at least for the simple cases studied, the obtained RDC values for use in structural calculations were not, because the errors introduced by strong couplings for the isotropic and oriented phases are very similar and therefore cancel when calculating the difference to determine 1DCC values.

The protonation of N2O reexamined - A case study on the reliability of various electron correlation methods for minima and transition states

NASA Technical Reports Server (NTRS)

Martin, J. M. L.; Lee, Timothy J.

1993-01-01

The protonation of N2O and the intramolecular proton transfer in N2OH(+) are studied using various basis sets and a variety of methods, including second-order many-body perturbation theory (MP2), singles and doubles coupled cluster (CCSD), the augmented coupled cluster (CCSD/T/), and complete active space self-consistent field (CASSCF) methods. For geometries, MP2 leads to serious errors even for HNNO(+); for the transition state, only CCSD/T/ produces a reliable geometry due to serious nondynamical correlation effects. The proton affinity at 298.15 K is estimated at 137.6 kcal/mol, in close agreement with recent experimental determinations of 137.3 +/- 1 kcal/mol.

Application of the Hilbert space average method on heat conduction models.

PubMed

Michel, Mathias; Gemmer, Jochen; Mahler, Günter

2006-01-01

We analyze closed one-dimensional chains of weakly coupled many level systems, by means of the so-called Hilbert space average method (HAM). Subject to some concrete conditions on the Hamiltonian of the system, our theory predicts energy diffusion with respect to a coarse-grained description for almost all initial states. Close to the respective equilibrium, we investigate this behavior in terms of heat transport and derive the heat conduction coefficient. Thus, we are able to show that both heat (energy) diffusive behavior as well as Fourier's law follows from and is compatible with a reversible Schrödinger dynamics on the complete level of description.

Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals

NASA Astrophysics Data System (ADS)

Hansen, Andreas; Liakos, Dimitrios G.; Neese, Frank

2011-12-01

A production level implementation of the high-spin open-shell (spin unrestricted) single reference coupled pair, quadratic configuration interaction and coupled cluster methods with up to doubly excited determinants in the framework of the local pair natural orbital (LPNO) concept is reported. This work is an extension of the closed-shell LPNO methods developed earlier [F. Neese, F. Wennmohs, and A. Hansen, J. Chem. Phys. 130, 114108 (2009), 10.1063/1.3086717; F. Neese, A. Hansen, and D. G. Liakos, J. Chem. Phys. 131, 064103 (2009), 10.1063/1.3173827]. The internal space is spanned by localized orbitals, while the external space for each electron pair is represented by a truncated PNO expansion. The laborious integral transformation associated with the large number of PNOs becomes feasible through the extensive use of density fitting (resolution of the identity (RI)) techniques. Technical complications arising for the open-shell case and the use of quasi-restricted orbitals for the construction of the reference determinant are discussed in detail. As in the closed-shell case, only three cutoff parameters control the average number of PNOs per electron pair, the size of the significant pair list, and the number of contributing auxiliary basis functions per PNO. The chosen threshold default values ensure robustness and the results of the parent canonical methods are reproduced to high accuracy. Comprehensive numerical tests on absolute and relative energies as well as timings consistently show that the outstanding performance of the LPNO methods carries over to the open-shell case with minor modifications. Finally, hyperfine couplings calculated with the variational LPNO-CEPA/1 method, for which a well-defined expectation value type density exists, indicate the great potential of the LPNO approach for the efficient calculation of molecular properties.

Electron capture in collisions of S4+ with helium

NASA Astrophysics Data System (ADS)

Wang, J. G.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Stancil, P. C.; Zygelman, B.

2002-07-01

Charge transfer due to collisions of ground-state S4+(3s2 1S) ions with helium is investigated for energies between 0.1 meV u-1 and 10 MeV u-1. Total and state-selective single electron capture (SEC) cross sections and rate coefficients are obtained utilizing the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling (AOCC), classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. Previous data are limited to a calculation of the total SEC rate coefficient using the Landau-Zener model that is, in comparison to the results presented here, three orders of magnitude smaller. The MOCC SEC cross sections at low energy reveal a multichannel interference effect. True double capture is also investigated with the AOCC and CTMC approaches while autoionizing double capture and transfer ionization (TI) is explored with CTMC. SEC is found to be the dominant process except for E>200 keV u-1 when TI becomes the primary capture channel. Astrophysical implications are briefly discussed.

Couple stress fluid flow in a rotating channel with peristalsis

NASA Astrophysics Data System (ADS)

Abd elmaboud, Y.; Abdelsalam, Sara I.; Mekheimer, Kh. S.

2018-04-01

This article describes a new model for obtaining closed-form semi-analytical solutions of peristaltic flow induced by sinusoidal wave trains propagating with constant speed on the walls of a two-dimensional rotating infinite channel. The channel rotates with a constant angular speed about the z - axis and is filled with couple stress fluid. The governing equations of the channel deformation and the flow rate inside the channel are derived using the lubrication theory approach. The resulting equations are solved, using the homotopy perturbation method (HPM), for exact solutions to the longitudinal velocity distribution, pressure gradient, flow rate due to secondary velocity, and pressure rise per wavelength. The effect of various values of physical parameters, such as, Taylor's number and couple stress parameter, together with some interesting features of peristaltic flow are discussed through graphs. The trapping phenomenon is investigated for different values of parameters under consideration. It is shown that Taylor's number and the couple stress parameter have an increasing effect on the longitudinal velocity distribution till half of the channel, on the flow rate due to secondary velocity, and on the number of closed streamlines circulating the bolus.

Fast growth rate of epitaxial β-Ga2O3 by close coupled showerhead MOCVD

NASA Astrophysics Data System (ADS)

Alema, Fikadu; Hertog, Brian; Osinsky, Andrei; Mukhopadhyay, Partha; Toporkov, Mykyta; Schoenfeld, Winston V.

2017-10-01

We report on the growth of epitaxial β-Ga2O3 thin films on c-plane sapphire substrates using a close coupled showerhead MOCVD reactor. Ga(DPM)3 (DPM = dipivaloylmethanate), triethylgallium (TEGa) and trimethylgallium (TMGa) metal organic (MO) precursors were used as Ga sources and molecular oxygen was used for oxidation. Films grown from each of the Ga sources had high growth rates, with up to 10 μm/hr achieved using a TMGa precursor at a substrate temperature of 900 °C. As confirmed by X-ray diffraction, the films grown from each of the Ga sources were the monoclinic (2 bar 0 1) oriented β-Ga2O3 phase. The optical bandgap of the films was also estimated to be ∼4.9 eV. The fast growth rate of β-Ga2O3 thin films obtained using various Ga-precursors has been achieved due to the close couple showerhead design of the MOCVD reactor as well as the separate injection of oxygen and MO precursors, preventing the premature oxidation of the MO sources. These results suggest a pathway to overcoming the long-standing challenge of realizing fast growth rates for Ga2O3 using the MOCVD method.

Interstate vibronic coupling constants between electronic excited states for complex molecules

NASA Astrophysics Data System (ADS)

Fumanal, Maria; Plasser, Felix; Mai, Sebastian; Daniel, Chantal; Gindensperger, Etienne

2018-03-01

In the construction of diabatic vibronic Hamiltonians for quantum dynamics in the excited-state manifold of molecules, the coupling constants are often extracted solely from information on the excited-state energies. Here, a new protocol is applied to get access to the interstate vibronic coupling constants at the time-dependent density functional theory level through the overlap integrals between excited-state adiabatic auxiliary wavefunctions. We discuss the advantages of such method and its potential for future applications to address complex systems, in particular, those where multiple electronic states are energetically closely lying and interact. We apply the protocol to the study of prototype rhenium carbonyl complexes [Re(CO)3(N,N)(L)]n+ for which non-adiabatic quantum dynamics within the linear vibronic coupling model and including spin-orbit coupling have been reported recently.

An exact solution for the solidification of a liquid slab of binary mixture

NASA Technical Reports Server (NTRS)

Antar, B. N.; Collins, F. G.; Aumalia, A. E.

1986-01-01

The time dependent temperature and concentration profiles of a one dimensional finite slab of a binary liquid alloy is investigated during solidification. The governing equations are reduced to a set of coupled, nonlinear initial value problems using the method outlined by Meyer. Two methods will be used to solve these equations. The first method uses a Runge-Kutta-Fehlberg integrator to solve the equations numerically. The second method comprises of finding closed form solutions of the equations.

An approximate closed-form solution for lead lag damping of rotor blades in hover

NASA Technical Reports Server (NTRS)

Peters, D. A.

1975-01-01

Simple stability methods are used to derive an approximate, closed-form expression for the lead-lag damping of rotor blades in hover. Destabilizing terms are shown to be a result of two dynamic mechanisms. First, the destabilizing aerodynamic forces that can occur when blade lift is higher than a critical value are maximized when the blade motion is in a straight line equidistant from the blade chord and the average direction of the air flow velocity. This condition occurs when the Coriolis terms vanish and when the elastic coupling terms align the blade motion with this least stable direction. Second, the nonconservative stiffness terms that result from pitch-flap or pitch-lag coupling can add or subtract energy from the system depending upon whether the motion of the blade tip is clockwise or counterclockwise.

Turning a low Q fiber resonator into a high-sensitivity displacement sensor using slow light concepts

NASA Astrophysics Data System (ADS)

Bravo, Mikel; Angulo-Vinuesa, Xabier; Martin-Lopez, Sonia; Lopez-Amo, Manuel; Gonzalez-Herraez, Miguel

2013-05-01

High-Q resonators have been widely used for sensing purposes. High Q factors normally lead to sharp spectral peaks which accordingly provide a strong sensitivity in spectral interrogation methods. In this work we employ a low-Q ring resonator to develop a high sensitivity sub-micrometric resolution displacement sensor. We use the slow-light effects occurring close to the critical coupling regime to achieve high sensitivity in the device. By tuning the losses in the cavity close to the critical coupling, extremely high group delay variations can be achieved, which in turn introduce strong enhancements of the absorption of the structure. We first validate the concept using an Optical Vector Analyzer (OVA) and then we propose a simple functional scheme for achieving a low-cost interrogation of this kind of sensors.

Addition and Removal Energies via the In-Medium Similarity Renormalization Group Method

NASA Astrophysics Data System (ADS)

Yuan, Fei

The in-medium similarity renormalization group (IM-SRG) is an ab initio many-body method suitable for systems with moderate numbers of particles due to its polynomial scaling in computational cost. The formalism is highly flexible and admits a variety of modifications that extend its utility beyond the original goal of computing ground state energies of closed-shell systems. In this work, we present an extension of IM-SRG through quasidegenerate perturbation theory (QDPT) to compute addition and removal energies (single particle energies) near the Fermi level at low computational cost. This expands the range of systems that can be studied from closed-shell ones to nearby systems that differ by one particle. The method is applied to circular quantum dot systems and nuclei, and compared against other methods including equations-of-motion (EOM) IM-SRG and EOM coupled-cluster (CC) theory. The results are in good agreement for most cases. As part of this work, we present an open-source implementation of our flexible and easy-to-use J-scheme framework as well as the HF, IM-SRG, and QDPT codes built upon this framework. We include an overview of the overall structure, the implementation details, and strategies for maintaining high code quality and efficiency. Lastly, we also present a graphical application for manipulation of angular momentum coupling coefficients through a diagrammatic notation for angular momenta (Jucys diagrams). The tool enables rapid derivations of equations involving angular momentum coupling--such as in J-scheme--and significantly reduces the risk of human errors.

Predicting the Coupling Properties of Axially-Textured Materials.

PubMed

Fuentes-Cobas, Luis E; Muñoz-Romero, Alejandro; Montero-Cabrera, María E; Fuentes-Montero, Luis; Fuentes-Montero, María E

2013-10-30

A description of methods and computer programs for the prediction of "coupling properties" in axially-textured polycrystals is presented. Starting data are the single-crystal properties, texture and stereography. The validity and proper protocols for applying the Voigt, Reuss and Hill approximations to estimate coupling properties effective values is analyzed. Working algorithms for predicting mentioned averages are given. Bunge's symmetrized spherical harmonics expansion of orientation distribution functions, inverse pole figures and (single and polycrystals) physical properties is applied in all stages of the proposed methodology. The established mathematical route has been systematized in a working computer program. The discussion of piezoelectricity in a representative textured ferro-piezoelectric ceramic illustrates the application of the proposed methodology. Polycrystal coupling properties, predicted by the suggested route, are fairly close to experimentally measured ones.

Predicting the Coupling Properties of Axially-Textured Materials

PubMed Central

Fuentes-Cobas, Luis E.; Muñoz-Romero, Alejandro; Montero-Cabrera, María E.; Fuentes-Montero, Luis; Fuentes-Montero, María E.

2013-01-01

A description of methods and computer programs for the prediction of “coupling properties” in axially-textured polycrystals is presented. Starting data are the single-crystal properties, texture and stereography. The validity and proper protocols for applying the Voigt, Reuss and Hill approximations to estimate coupling properties effective values is analyzed. Working algorithms for predicting mentioned averages are given. Bunge’s symmetrized spherical harmonics expansion of orientation distribution functions, inverse pole figures and (single and polycrystals) physical properties is applied in all stages of the proposed methodology. The established mathematical route has been systematized in a working computer program. The discussion of piezoelectricity in a representative textured ferro-piezoelectric ceramic illustrates the application of the proposed methodology. Polycrystal coupling properties, predicted by the suggested route, are fairly close to experimentally measured ones. PMID:28788370

Wave scattering of complex local site in a layered half-space by using a multidomain IBEM: incident plane SH waves

NASA Astrophysics Data System (ADS)

Ba, Zhenning; Yin, Xiao

2016-06-01

A multidomain indirect boundary element method (IBEM) is proposed to study the wave scattering of plane SH waves by complex local site in a layered half-space. The new method, using both the full-space and layered half-space Green's functions as its fundamental solutions can also be regarded as a coupled method of the full-space IBEM and half-space IBEM. First, the whole model is decomposed into independent closed regions and an opened layered half-space region with all of the irregular interfaces; then, fictitious uniformly distributed loads are applied separately on the boundaries of each region, and scattered fields of the closed regions and the opened layered half-space region are constructed by calculating the full-space and layered half-space Green's functions, respectively; finally, all of the regions are assembled to establish the linear algebraic system that arises from discretization. The densities of the distributed loads are determined directly by solving the algebraic system. The accuracy and capability of the new approach are verified extensively by comparing its results with those of published approaches for a class of hills, valleys and embedded inclusions. And the capability of the new method is further displayed when it is used to investigate a hill-triple layered valley-hill coupled topography in a multilayered half-space. All of the numerical calculations presented in this paper demonstrate that the new method is very suitable for solving multidomain coupled multilayered wave scattering problems with the merits of high accuracy and representing the scattered fields in different kinds of regions more reasonably and flexibly.

Characterization of air-coupled ultrasound transducers in the frequency range 40 kHz-2 mHz using light diffraction tomography.

PubMed

Almqvist, M; Holm, A; Persson, H W; Lindström, K

2000-01-01

The aim of this work was to show the applicability of light diffraction tomography on airborne ultrasound in the frequency range 40 kHz-2 MHz. Seven different air-coupled transducers were measured to show the method's performance regarding linearity, absolute pressure measurements, phase measurements, frequency response, S/N ratio and spatial resolution. A calibrated microphone and the pulse-echo method were used to evaluate the results. The absolute measurements agreed within the calibrated microphone's uncertainty range. Pulse waveforms and corresponding FFT diagrams show the method's higher bandwidth compared with the microphone. Further, the method offers non-perturbing measurements with high spatial resolution, which was especially advantageous for measurements close to the transducer surfaces. The S/N ratio was higher than or in the same range as that of the two comparison methods.

Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations

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

Matthews, Devin A., E-mail: dmatthews@utexas.edu; Stanton, John F.

2015-02-14

The theory of non-orthogonal spin-adaptation for closed-shell molecular systems is applied to coupled cluster methods with quadruple excitations (CCSDTQ). Calculations at this level of detail are of critical importance in describing the properties of molecular systems to an accuracy which can meet or exceed modern experimental techniques. Such calculations are of significant (and growing) importance in such fields as thermodynamics, kinetics, and atomic and molecular spectroscopies. With respect to the implementation of CCSDTQ and related methods, we show that there are significant advantages to non-orthogonal spin-adaption with respect to simplification and factorization of the working equations and to creating anmore » efficient implementation. The resulting algorithm is implemented in the CFOUR program suite for CCSDT, CCSDTQ, and various approximate methods (CCSD(T), CC3, CCSDT-n, and CCSDT(Q))« less

Corneal coupling of astigmatism applied to incisional and ablative surgery.

PubMed

Alpins, Noel; Ong, James K Y; Stamatelatos, George

2014-11-01

To redefine measures of corneal coupling for use with incisional and ablation procedures for astigmatism. Private clinics, Melbourne, Victoria, Australia. Retrospective nonrandomized study. The measures known as the coupling ratio (CR) and coupling constant (CC) were redefined to ensure validity in most cases of incisional procedures and laser vision correction procedures. In addition, a new measure--the coupling adjustment (CAdj)--was developed to quantify the amount of spherical adjustment that must be applied to compensate for coupling that occurs as a result of astigmatism treatment. These quantitative measures of coupling were applied to retrospective data to show their applicability. Pure myopic, compound myopic, and compound hyperopic astigmatism excimer laser treatments showed a CR close to zero, a CC close to 0.5, and a CAdj close to zero. Incision LRIs showed a CR close to 1.0 and a CC close to zero. In all cases, the coupling measures were consistent for treatments with a larger astigmatic component (>1.0 diopter) but variable when the astigmatic component of the treatment was smaller. The revised definitions of CR and CC can be used with incisional and ablative surgery. Incorporating the CAdj into the planning of spherocylindrical treatments allows one to factor in the effect of the astigmatic treatment on the spherical component and thus to more accurately target the desired spherical equivalent. Dr. Alpins and Mr. Stamatelatos have a financial interest in the Assort software program. Dr. Ong is an employee of Assort. Copyright © 2014 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

Benchmark solutions for the galactic heavy-ion transport equations with energy and spatial coupling

NASA Technical Reports Server (NTRS)

Ganapol, Barry D.; Townsend, Lawrence W.; Lamkin, Stanley L.; Wilson, John W.

1991-01-01

Nontrivial benchmark solutions are developed for the galactic heavy ion transport equations in the straightahead approximation with energy and spatial coupling. Analytical representations of the ion fluxes are obtained for a variety of sources with the assumption that the nuclear interaction parameters are energy independent. The method utilizes an analytical LaPlace transform inversion to yield a closed form representation that is computationally efficient. The flux profiles are then used to predict ion dose profiles, which are important for shield design studies.

Development of a Rotor-Body Coupled Analysis for an Active Mount Aeroelastic Rotor Testbed. Degree awarded by George Washington Univ., May 1996

NASA Technical Reports Server (NTRS)

Wilbur, Matthew L.

1998-01-01

At the Langley Research Center an active mount rotorcraft testbed is being developed for use in the Langley Transonic Dynamics Tunnel. This testbed, the second generation version of the Aeroelastic Rotor Experimental System (ARES-II), can impose rotor hub motions and measure the response so that rotor-body coupling phenomena may be investigated. An analytical method for coupling an aeroelastically scaled model rotor system to the ARES-II is developed in the current study. Models of the testbed and the rotor system are developed in independent analyses, and an impedance-matching approach is used to couple the rotor system to the testbed. The development of the analytical models and the coupling method is examined, and individual and coupled results are presented for the testbed and rotor system. Coupled results are presented with and without applied hub motion, and system loads and displacements are examined. The results show that a closed-loop control system is necessary to achieve desired hub motions, that proper modeling requires including the loads at the rotor hub and rotor control system, and that the strain-gauge balance placed in the rotating system of the ARES-II provided the best loads results.

Polished Downhole Transducer Having Improved Signal Coupling

DOEpatents

Hall, David R.; Fox, Joe

2006-03-28

Apparatus and methods to improve signal coupling in downhole inductive transmission elements to reduce the dispersion of magnetic energy at the tool joints and to provide consistent impedance and contact between transmission elements located along the drill string. A transmission element for transmitting information between downhole tools is disclosed in one embodiment of the invention as including an annular core constructed of a magnetically conductive material. The annular core forms an open channel around its circumference and is configured to form a closed channel by mating with a corresponding annular core along an annular mating surface. The mating surface is polished to provide improved magnetic coupling with the corresponding annular core. An annular conductor is disposed within the open channel.

Magnetic exchange coupling through superconductors: A trilayer study

NASA Astrophysics Data System (ADS)

Sá de Melo, C. A.

2000-11-01

The possibility of magnetic exchange coupling between two ferromagnets (F) separated by a superconductor (S) spacer is analyzed using the functional integral method. For this coupling to occur three prima facie conditions need to be satisfied. First, an indirect exchange coupling between the ferromagnets must exist when the superconductor is in its normal state. Second, superconductivity must not be destroyed due to the proximity to ferromagnetic boundaries. Third, roughness of the F/S interfaces must be small. Under these conditions, when the superconductor is cooled to below its critical temperature, the magnetic coupling changes. The appearance of the superconducting gap introduces a new length scale (the coherence length of the superconductor) and modifies the temperature dependence of the indirect exchange coupling existent in the normal state. The magnetic coupling is oscillatory both above and below the the critical temperature of the superconductor, as well as strongly temperature-dependent. However, at low temperatures the indirect exchange coupling decay length is controlled by the coherence length of the superconductor, while at temperatures close to and above the critical temperature of the superconductor the magnetic coupling decay length is controlled by the thermal length.

Ground Source Heat Pumps vs. Conventional HVAC: A Comparison of Economic and Environmental Costs

DTIC Science & Technology

2009-03-26

of systems are surface water heat pumps (SWHPs), ground water heat pumps (GWHPs), and ground coupled heat pumps ( GCHPs ) (Kavanaugh & Rafferty, 1997...Kavanaugh & Rafferty, 1997). Ground Coupled Heat Pumps (Closed-Loop Ground Source Heat Pumps) GCHPs , otherwise known as closed-loop GSHPs, are the...Significant confusion has arisen through the use of GCHP and closed-loop GSHP terminology. Closed-loop GSHP is the preferred nomenclature for this

Stress and Grief of a Perinatal Loss: Integrating Qualitative and Quantitative Methods.

ERIC Educational Resources Information Center

Thomas, Volker; Striegel, Phil

1995-01-01

Examined how parents grieve loss of a baby through miscarriage or stillbirth. Interviewed 26 couples 2 weeks after a perinatal loss. Ethnographic content analysis revealed 12 themes closely related to resources, meaning of the stressful event, and coping strategies, all of which are elements, of Hill's ABC-X stress model. (JBJ)

Teaching with Technology: Applications of Collaborative Online Learning Units to Improve 21st Century Skills for All

ERIC Educational Resources Information Center

Terrazas-Arellanes, Fatima E.; Strycker, Lisa A.; Walden, Emily D.; Gallard, Alejandro

2017-01-01

Inquiry-based learning methods, coupled with advanced technology, hold promise for closing the science literacy gap for English learners (ELs) and students with learning difficulties (SWLDs). Project ESCOLAR (Etext Supports for Collaborative Online Learning and Academic Reading) created collaborative online learning units for middle school science…

Surface Structure of Bi(111) from Helium Atom Scattering Measurements. Inelastic Close-Coupling Formalism

PubMed Central

2015-01-01

Elastic and inelastic close-coupling (CC) calculations have been used to extract information about the corrugation amplitude and the surface vibrational atomic displacement by fitting to several experimental diffraction patterns. To model the three-dimensional interaction between the He atom and the Bi(111) surface under investigation, a corrugated Morse potential has been assumed. Two different types of calculations are used to obtain theoretical diffraction intensities at three surface temperatures along the two symmetry directions. Type one consists of solving the elastic CC (eCC) and attenuating the corresponding diffraction intensities by a global Debye–Waller (DW) factor. The second one, within a unitary theory, is derived from merely solving the inelastic CC (iCC) equations, where no DW factor is necessary to include. While both methods arrive at similar predictions for the peak-to-peak corrugation value, the variance of the value obtained by the iCC method is much better. Furthermore, the more extensive calculation is better suited to model the temperature induced signal asymmetries and renders the inclusion for a second Debye temperature for the diffraction peaks futile. PMID:26257838

Fiber facet gratings for high power fiber lasers

NASA Astrophysics Data System (ADS)

Vanek, Martin; Vanis, Jan; Baravets, Yauhen; Todorov, Filip; Ctyroky, Jiri; Honzatko, Pavel

2017-12-01

We numerically investigated the properties of diffraction gratings designated for fabrication on the facet of an optical fiber. The gratings are intended to be used in high-power fiber lasers as mirrors either with a low or high reflectivity. The modal reflectance of low reflectivity polarizing grating has a value close to 3% for TE mode while it is significantly suppressed for TM mode. Such a grating can be fabricated on laser output fiber facet. The polarizing grating with high modal reflectance is designed as a leaky-mode resonant diffraction grating. The grating can be etched in a thin layer of high index dielectric which is sputtered on fiber facet. We used refractive index of Ta2O5 for such a layer. We found that modal reflectance can be close to 0.95 for TE polarization and polarization extinction ratio achieves 18 dB. Rigorous coupled wave analysis was used for fast optimization of grating parameters while aperiodic rigorous coupled wave analysis, Fourier modal method and finite difference time domain method were compared and used to compute modal reflectance of designed gratings.

Association between Body Mass Index and Depressive Symptoms of African American Married Couples: Mediating and Moderating Roles of Couples' Behavioral Closeness

ERIC Educational Resources Information Center

Wickrama, Thulitha; Bryant, Chalandra M.

2012-01-01

This study examined (a) associations between body mass index (BMI) and depressive symptoms in African American husbands and wives, (b) transactional associations between husbands and wives in this relationship, and (c) mediating and moderating role of couples' behavioral closeness in this association. Data came from a sample of 450 African…

Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the 199Hg Atom

NASA Astrophysics Data System (ADS)

Sahoo, B. K.; Das, B. P.

2018-05-01

Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P ,T -odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P ,T -odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to 199Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the ^{199}Hg Atom.

PubMed

Sahoo, B K; Das, B P

2018-05-18

Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P,T-odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P,T-odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to ^{199}Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

Electronic structure and electron-phonon interaction in hexagonal yttrium by density functional calculations

NASA Astrophysics Data System (ADS)

Singh, Prabhakar P.

2007-03-01

To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal-close-packed (hcp) yttrium, stable at ambient pressure, and double hexagonal-close-packed (dhcp) yttrium, stable up to around 44GPa , using density-functional-based methods. Our results show that as one goes from hcp yttrium to dhcp yttrium, there are (i) a substantial charge transfer from s→d with extensive modifications of the d band and a sizable reduction in the density of states at the Fermi energy, (ii) a substantial stiffening of phonon modes with the electron-phonon coupling covering the entire frequency range, and (iii) an increase in the electron-phonon coupling constant λ from 0.55 to 1.24, leading to a change in the superconducting transition temperature Tc from 0.3to15.3K for μ*=0.2 .

Self-contained cryogenic gas sampling apparatus and method

DOEpatents

McManus, G.J.; Motes, B.G.; Bird, S.K.; Kotter, D.K.

1996-03-26

Apparatus for obtaining a whole gas sample, is composed of: a sample vessel having an inlet for receiving a gas sample; a controllable valve mounted for controllably opening and closing the inlet; a valve control coupled to the valve for opening and closing the valve at selected times; a portable power source connected for supplying operating power to the valve control; and a cryogenic coolant in thermal communication with the vessel for cooling the interior of the vessel to cryogenic temperatures. A method is described for obtaining an air sample using the apparatus described above, by: placing the apparatus at a location at which the sample is to be obtained; operating the valve control to open the valve at a selected time and close the valve at a selected subsequent time; and between the selected times maintaining the vessel at a cryogenic temperature by heat exchange with the coolant. 3 figs.

Self-contained cryogenic gas sampling apparatus and method

DOEpatents

McManus, Gary J.; Motes, Billy G.; Bird, Susan K.; Kotter, Dale K.

1996-01-01

Apparatus for obtaining a whole gas sample, composed of: a sample vessel having an inlet for receiving a gas sample; a controllable valve mounted for controllably opening and closing the inlet; a valve control coupled to the valve for opening and closing the valve at selected times; a portable power source connected for supplying operating power to the valve control; and a cryogenic coolant in thermal communication with the vessel for cooling the interior of the vessel to cryogenic temperatures. A method of obtaining an air sample using the apparatus described above, by: placing the apparatus at a location at which the sample is to be obtained; operating the valve control to open the valve at a selected time and close the valve at a selected subsequent time; and between the selected times maintaining the vessel at a cryogenic temperature by heat exchange with the coolant.

A semi-Lagrangian transport method for kinetic problems with application to dense-to-dilute polydisperse reacting spray flows

NASA Astrophysics Data System (ADS)

Doisneau, François; Arienti, Marco; Oefelein, Joseph C.

2017-01-01

For sprays, as described by a kinetic disperse phase model strongly coupled to the Navier-Stokes equations, the resolution strategy is constrained by accuracy objectives, robustness needs, and the computing architecture. In order to leverage the good properties of the Eulerian formalism, we introduce a deterministic particle-based numerical method to solve transport in physical space, which is simple to adapt to the many types of closures and moment systems. The method is inspired by the semi-Lagrangian schemes, developed for Gas Dynamics. We show how semi-Lagrangian formulations are relevant for a disperse phase far from equilibrium and where the particle-particle coupling barely influences the transport; i.e., when particle pressure is negligible. The particle behavior is indeed close to free streaming. The new method uses the assumption of parcel transport and avoids to compute fluxes and their limiters, which makes it robust. It is a deterministic resolution method so that it does not require efforts on statistical convergence, noise control, or post-processing. All couplings are done among data under the form of Eulerian fields, which allows one to use efficient algorithms and to anticipate the computational load. This makes the method both accurate and efficient in the context of parallel computing. After a complete verification of the new transport method on various academic test cases, we demonstrate the overall strategy's ability to solve a strongly-coupled liquid jet with fine spatial resolution and we apply it to the case of high-fidelity Large Eddy Simulation of a dense spray flow. A fuel spray is simulated after atomization at Diesel engine combustion chamber conditions. The large, parallel, strongly coupled computation proves the efficiency of the method for dense, polydisperse, reacting spray flows.

A semi-Lagrangian transport method for kinetic problems with application to dense-to-dilute polydisperse reacting spray flows

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

Doisneau, François, E-mail: fdoisne@sandia.gov; Arienti, Marco, E-mail: marient@sandia.gov; Oefelein, Joseph C., E-mail: oefelei@sandia.gov

For sprays, as described by a kinetic disperse phase model strongly coupled to the Navier–Stokes equations, the resolution strategy is constrained by accuracy objectives, robustness needs, and the computing architecture. In order to leverage the good properties of the Eulerian formalism, we introduce a deterministic particle-based numerical method to solve transport in physical space, which is simple to adapt to the many types of closures and moment systems. The method is inspired by the semi-Lagrangian schemes, developed for Gas Dynamics. We show how semi-Lagrangian formulations are relevant for a disperse phase far from equilibrium and where the particle–particle coupling barelymore » influences the transport; i.e., when particle pressure is negligible. The particle behavior is indeed close to free streaming. The new method uses the assumption of parcel transport and avoids to compute fluxes and their limiters, which makes it robust. It is a deterministic resolution method so that it does not require efforts on statistical convergence, noise control, or post-processing. All couplings are done among data under the form of Eulerian fields, which allows one to use efficient algorithms and to anticipate the computational load. This makes the method both accurate and efficient in the context of parallel computing. After a complete verification of the new transport method on various academic test cases, we demonstrate the overall strategy's ability to solve a strongly-coupled liquid jet with fine spatial resolution and we apply it to the case of high-fidelity Large Eddy Simulation of a dense spray flow. A fuel spray is simulated after atomization at Diesel engine combustion chamber conditions. The large, parallel, strongly coupled computation proves the efficiency of the method for dense, polydisperse, reacting spray flows.« less

A coupled-cluster study of photodetachment cross sections of closed-shell anions

NASA Astrophysics Data System (ADS)

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-01

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H-, Li-, Na-, F-, Cl-, and OH-. The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

A coupled-cluster study of photodetachment cross sections of closed-shell anions.

PubMed

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-07

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H(-), Li(-), Na(-), F(-), Cl(-), and OH(-). The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

Determining the source characteristics of explosions near the Earth's surface

DOE PAGES

Pasyanos, Michael E.; Ford, Sean R.

2015-04-09

We present a method to determine the source characteristics of explosions near the airearth interface. The technique is an extension of the regional amplitude envelope method and now accounts for the reduction of seismic amplitudes as the depth of the explosion approaches the free surface and less energy is coupled into the ground. We first apply the method to the Humming Roadrunner series of shallow explosions in New Mexico where the yields and depths are known. From these tests, we find an appreciation of knowing the material properties for both source coupling/excitation and the free surface effect. Although there ismore » the expected tradeoff between depth and yield due to coupling effects, the estimated yields are generally close to the known values when the depth is constrained to the free surface. We then apply the method to a regionally recorded explosion in Syria. We estimate an explosive yield less than the 60 tons claimed by sources in the open press. The modifications to the method allow us to apply the technique to new classes of events, but we will need a better understanding of explosion source models and properties of additional geologic materials.« less

Valence subband coupling effect on polarization of spontaneous emissions from Al-rich AlGaN/AlN quantum wells.

PubMed

Lu, Huimin; Yu, Tongjun; Yuan, Gangcheng; Jia, Chuanyu; Chen, Genxiang; Zhang, Guoyi

2012-12-03

The optical polarization properties of Al-rich AlGaN/AlN quantum wells (QWs) were investigated using the theoretical model based on the k·p method. Numerical results show that there is valence subband coupling which can influence the peak emission wavelength and emission intensity for TE and TM polarization components from Al-rich AlGaN/AlN QWs. Especially the valence subband coupling could be strong enough when CH1 is close to HH1 and LH1 subbands to modulate the critical Al content switching dominant emissions from TE to TM polarization. It is believed that the valence subband coupling may give important influence on polarization properties of spontaneous emissions and should be considered in designing high efficiency AlGaN-based ultraviolet (UV) LEDs.

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

Zhang, Dongbo; Zhao, Jinfeng, E-mail: jinfeng.zhao@tongji.edu.cn; Li, Libing

In this work, we applied a robust and fully air-coupled method to investigate the propagation of the lowest-order antisymmetric Lamb (A{sub 0}) mode in both a stubbed and an air-drilled phononic-crystal (PC) plate. By measuring simply the radiative acoustic waves of A{sub 0} mode close to the plate surface, we observed the band gaps for the stubbed PC plate caused by either the local resonance or the Bragg scattering, in frequency ranges in good agreement with theoretical predictions. We measured then the complete band gap of A{sub 0} mode for the air-drilled PC plate, in good agreement with the bandmore » structures. Finally, we compared the measurements made using the air-coupled method with those obtained by the laser ultrasonic technique.« less

The equation-of-motion coupled cluster method for triple electron attached states

NASA Astrophysics Data System (ADS)

Musiał, Monika; Olszówka, Marta; Lyakh, Dmitry I.; Bartlett, Rodney J.

2012-11-01

The initial implementation of the triple electron attachment (TEA) equation-of-motion (EOM) coupled cluster (CC) method is presented, aiming at the description of electronic states with three open shell electrons outside a suitably chosen closed shell vacuum. In particular, such an approach can be used for describing dissociation of chemical bonds predominantly formed by three valence electrons, for example, in LiC and NaC molecules. Both ground and excited states are considered while rigorously maintaining the correct spin value. The preliminary results show a correct asymptotic behavior of the dissociation curves. At the same time, we emphasize that a chemically accurate description will require an extension of the minimal TEA-EOM-CC model introduced here, analogous to those already used in the double ionization potential and double electron attachment methods.

A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

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

Munafò, A., E-mail: munafo@illinois.edu; Alfuhaid, S. A., E-mail: alfuhai2@illinois.edu; Panesi, M., E-mail: mpanesi@illinois.edu

2015-10-07

The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled systemmore » of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients.« less

The close relationships of Lesbians and gay men.

PubMed

Peplau, Letitia Anne; Fingerhut, Adam W

2007-01-01

This article reviews empirical studies of same-sex couples in the United States, highlighting consistent findings, drawing comparisons to heterosexual couples, and noting gaps in available research. U.S. Census data indicate that there were more than 600,000 same-sex couples living together in 2000. Research about relationship formation, the division of household labor, power, satisfaction, sexuality, conflict, commitment, and relationship stability is presented. Next, we highlight three recent research topics: the legalization of same-sex relationships through civil unions and same-sex marriage, the experiences of same-sex couples raising children, and the impact of societal prejudice and discrimination on same-sex partners. We conclude with comments about the contributions of empirical research to debunking negative stereotypes of same-sex couples, testing the generalizability of theories about close relationships, informing our understanding of gender and close relationships, and providing a scientific basis for public policy.

Remaking Poems: Combining Translation and Digital Media to Interest High School Students in Poetry Analysis

ERIC Educational Resources Information Center

Simpson, Amy Beth

2017-01-01

In American high schools, the practice of poetry analysis as a study of language art has declined. Outworn methods have contributed to the trend away from close interactions with the text, to the unfortunate end that millennial high school students neither understand nor enjoy poetry. Digital technology coupled with principles of translation…

Charge movement in gating-locked HCN channels reveals weak coupling of voltage sensors and gate.

PubMed

Ryu, Sujung; Yellen, Gary

2012-11-01

HCN (hyperpolarization-activated cyclic nucleotide gated) pacemaker channels have an architecture similar to that of voltage-gated K(+) channels, but they open with the opposite voltage dependence. HCN channels use essentially the same positively charged voltage sensors and intracellular activation gates as K(+) channels, but apparently these two components are coupled differently. In this study, we examine the energetics of coupling between the voltage sensor and the pore by using cysteine mutant channels for which low concentrations of Cd(2+) ions freeze the open-closed gating machinery but still allow the sensors to move. We were able to lock mutant channels either into open or into closed states by the application of Cd(2+) and measure the effect on voltage sensor movement. Cd(2+) did not immobilize the gating charge, as expected for strict coupling, but rather it produced shifts in the voltage dependence of voltage sensor charge movement, consistent with its effect of confining transitions to either closed or open states. From the magnitude of the Cd(2+)-induced shifts, we estimate that each voltage sensor produces a roughly three- to sevenfold effect on the open-closed equilibrium, corresponding to a coupling energy of ∼1.3-2 kT per sensor. Such coupling is not only opposite in sign to the coupling in K(+) channels, but also much weaker.

Ab initio study of charge transfer in B2+ low-energy collisions with atomic hydrogen

NASA Astrophysics Data System (ADS)

Turner, A. R.; Cooper, D. L.; Wang, J. G.; Stancil, P. C.

2003-07-01

Charge transfer processes due to collisions of ground state B2+(2s 2S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with the existing experiments shows our results to be in good agreement. When E<80 eV/u, the differences between the current total MOCC cross sections with and without rotational coupling are small (<3%). Rotational coupling becomes more important with increasing energy: for collision energies E>400 eV/u, inclusion of rotational coupling increases the total cross section by 50% 80%, improving the agreement between the current calculations and experiments. For state-selective cross sections, rotational coupling induces mixing between different symmetries; however, its effect, especially at low collision energies, is not as important as had been suggested in previous work.

Improved control of the betatron coupling in the Large Hadron Collider

NASA Astrophysics Data System (ADS)

Persson, T.; Tomás, R.

2014-05-01

The control of the betatron coupling is of importance for safe beam operation in the LHC. In this article we show recent advancements in methods and algorithms to measure and correct coupling. The benefit of using a more precise formula relating the resonance driving term f1001 to the ΔQmin is presented. The quality of the coupling measurements is increased, with about a factor 3, by selecting beam position monitor (BPM) pairs with phase advances close to π/2 and through data cleaning using singular value decomposition with an optimal number of singular values. These improvements are beneficial for the implemented automatic coupling correction, which is based on injection oscillations, presented in the article. Furthermore, a proposed coupling feedback for the LHC is presented. The system will rely on the measurements from BPMs equipped with a new type of high resolution electronics, diode orbit and oscillation, which will be operational when the LHC restarts in 2015. The feedback will combine the coupling measurements from the available BPMs in order to calculate the best correction.

Complete solution of electronic excitation and ionization in electron-hydrogen molecule scattering

DOE PAGES

Zammit, Mark C.; Savage, Jeremy S.; Fursa, Dmitry V.; ...

2016-06-08

The convergent close-coupling method has been used to solve the electron-hydrogen molecule scattering problem in the fixed-nuclei approximation. Excellent agreement with experiment is found for the grand total, elastic, electronic-excitation, and total ionization cross sections from the very low to the very high energies. This shows that for the electronic degrees of freedom the method provides a complete treatment of electron scattering on molecules as it does for atoms.

Magnetic exchange coupling through superconductors : a trilayer study.

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

Sa de Melo, C. A. R.; Materials Science Division

1997-09-08

The possibility of magnetic exchange coupling between two ferromagnets (F) separated by a superconductor (S) spacer is analyzed using the functional integral method. For this coupling to occur three prima facie conditions need to be satisfied. First, an indirect exchange coupling between the ferromagnets must exist when the superconductor is in its normal state. Second, superconductivity must not be destroyed due to the proximity to ferromagnetic boundaries. Third, roughness of the F/S interfaces must be small. Under these conditions, when the superconductor is cooled to below its critical temperature, the magnetic coupling changes. The appearance of the superconducting gap introducesmore » a new length scale (the coherence length of the superconductor) and modifies the temperature dependence of the indirect exchange coupling existent in the normal state. The magnetic coupling is oscillatory both above and below the critical temperature of the superconductor, as well as strongly temperature-dependent. However, at low temperatures the indirect exchange coupling decay length is controlled by the coherence length of the superconductor, while at temperatures close to and above the critical temperature of the superconductor the magnetic coupling decay length is controlled by the thermal length.« less

State-selective charge exchange in slow collisions of Si3+ ions with H atoms: A molecular state close coupling treatment*)

NASA Astrophysics Data System (ADS)

Joseph, Dwayne C.; Saha, Bidhan C.

2012-11-01

Charge transfer cross sections are calculated by employing both the quantal and semiclassical ɛ(R) molecular orbital close coupling (MOCC) approximations in the adiabatic representation and compared with other theoretical and experimental results

Couple Infertility: From the Perspective of the Close-Relationship Model.

ERIC Educational Resources Information Center

Higgins, Barbara S.

1990-01-01

Presents Close-Relationship Model as comprehensive framework in which to examine interrelated nature of causes and effects of infertility on marital relationship. Includes these factors: physical and psychological characteristics of both partners; joint, couple characteristics; physical and social environment; and relationship itself. Discusses…

Simulation of Aluminum Micro-mirrors for Space Applications at Cryogenic Temperatures

NASA Technical Reports Server (NTRS)

Kuhn, J. L.; Dutta, S. B.; Greenhouse, M. A.; Mott, D. B.

2000-01-01

Closed form and finite element models are developed to predict the device response of aluminum electrostatic torsion micro-mirrors fabricated on silicon substrate for space applications at operating temperatures of 30K. Initially, closed form expressions for electrostatic pressure arid mechanical restoring torque are used to predict the pull-in and release voltages at room temperature. Subsequently, a detailed mechanical finite element model is developed to predict stresses and vertical beam deflection induced by the electrostatic and thermal loads. An incremental and iterative solution method is used in conjunction with the nonlinear finite element model and closed form electrostatic equations to solve. the coupled electro-thermo-mechanical problem. The simulation results are compared with experimental measurements at room temperature of fabricated micro-mirror devices.

Daily Couple Experiences and Parent Affect in Families of Children with versus without Autism

PubMed Central

Hartley, Sigan L.; DaWalt, Leann Smith; Schultz, Haley M.

2017-01-01

We examined daily couple experiences in 174 couples who had a child with autism spectrum disorder (ASD) relative to 179 couples who had a child without disabilities and their same-day association with parent affect. Parents completed a 14-day daily diary in which they reported time with partner, partner support, partner closeness, and positive and negative couple interactions and level of positive and negative affect. One-way multivariate analyses of covariance and dyadic multilevel models were conducted. Parents of children with ASD reported less time with partner, lower partner closeness, and fewer positive couple interactions than the comparison group. Daily couple experiences were more strongly associated with parent affect in the ASD than comparison group. Findings have implications for programs and supports. PMID:28275928

Daily Couple Experiences and Parent Affect in Families of Children with Versus Without Autism.

PubMed

Hartley, Sigan L; DaWalt, Leann Smith; Schultz, Haley M

2017-06-01

We examined daily couple experiences in 174 couples who had a child with autism spectrum disorder (ASD) relative to 179 couples who had a child without disabilities and their same-day association with parent affect. Parents completed a 14-day daily diary in which they reported time with partner, partner support, partner closeness, and positive and negative couple interactions and level of positive and negative affect. One-way multivariate analyses of covariance and dyadic multilevel models were conducted. Parents of children with ASD reported less time with partner, lower partner closeness, and fewer positive couple interactions than the comparison group. Daily couple experiences were more strongly associated with parent affect in the ASD than comparison group. Findings have implications for programs and supports.

Nonperturbative calculations in the framework of variational perturbation theory in QCD

NASA Astrophysics Data System (ADS)

Solovtsova, O. P.

2017-07-01

We discuss applications of the method based on the variational perturbation theory to perform calculations down to the lowest energy scale. The variational series is different from the conventional perturbative expansion and can be used to go beyond the weak-coupling regime. We apply this method to investigate the Borel representation of the light Adler function constructed from the τ data and to determine the residual condensates. It is shown that within the method suggested the optimal values of these lower dimension condensates are close to zero.

The coupling analysis between stock market indices based on permutation measures

NASA Astrophysics Data System (ADS)

Shi, Wenbin; Shang, Pengjian; Xia, Jianan; Yeh, Chien-Hung

2016-04-01

Many information-theoretic methods have been proposed for analyzing the coupling dependence between time series. And it is significant to quantify the correlation relationship between financial sequences since the financial market is a complex evolved dynamic system. Recently, we developed a new permutation-based entropy, called cross-permutation entropy (CPE), to detect the coupling structures between two synchronous time series. In this paper, we extend the CPE method to weighted cross-permutation entropy (WCPE), to address some of CPE's limitations, mainly its inability to differentiate between distinct patterns of a certain motif and the sensitivity of patterns close to the noise floor. It shows more stable and reliable results than CPE does when applied it to spiky data and AR(1) processes. Besides, we adapt the CPE method to infer the complexity of short-length time series by freely changing the time delay, and test it with Gaussian random series and random walks. The modified method shows the advantages in reducing deviations of entropy estimation compared with the conventional one. Finally, the weighted cross-permutation entropy of eight important stock indices from the world financial markets is investigated, and some useful and interesting empirical results are obtained.

Charge transfer of O3+ ions with atomic hydrogen

NASA Astrophysics Data System (ADS)

Wang, J. G.; Stancil, P. C.; Turner, A. R.; Cooper, D. L.

2003-01-01

Charge transfer processes due to collisions of ground state O3+(2s22p 2P) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with existing experimental and theoretical data shows our results to be in better agreement with the measurements than the previous calculations, although problems with some of the state-selective measurements are noted. Our calculations demonstrate that rotational coupling is not important for the total cross section, but for state-selective cross sections, its relevance increases with energy. For the ratios of triplet to singlet cross sections, significant departures from a statistical value are found, generally in harmony with experiment.

Extended Analytic Device Optimization Employing Asymptotic Expansion

NASA Technical Reports Server (NTRS)

Mackey, Jonathan; Sehirlioglu, Alp; Dynsys, Fred

2013-01-01

Analytic optimization of a thermoelectric junction often introduces several simplifying assumptionsincluding constant material properties, fixed known hot and cold shoe temperatures, and thermallyinsulated leg sides. In fact all of these simplifications will have an effect on device performance,ranging from negligible to significant depending on conditions. Numerical methods, such as FiniteElement Analysis or iterative techniques, are often used to perform more detailed analysis andaccount for these simplifications. While numerical methods may stand as a suitable solution scheme,they are weak in gaining physical understanding and only serve to optimize through iterativesearching techniques. Analytic and asymptotic expansion techniques can be used to solve thegoverning system of thermoelectric differential equations with fewer or less severe assumptionsthan the classic case. Analytic methods can provide meaningful closed form solutions and generatebetter physical understanding of the conditions for when simplifying assumptions may be valid.In obtaining the analytic solutions a set of dimensionless parameters, which characterize allthermoelectric couples, is formulated and provide the limiting cases for validating assumptions.Presentation includes optimization of both classic rectangular couples as well as practically andtheoretically interesting cylindrical couples using optimization parameters physically meaningful toa cylindrical couple. Solutions incorporate the physical behavior for i) thermal resistance of hot andcold shoes, ii) variable material properties with temperature, and iii) lateral heat transfer through legsides.

Predicting aerodynamic characteristics of vortical flows on three-dimensional configurations using a surface-singularity panel method

NASA Technical Reports Server (NTRS)

Maskew, B.

1983-01-01

A general low-order surface-singularity panel method is used to predict the aerodynamic characteristics of a problem where a wing-tip vortex from one wing closely interacts with an aft mounted wing in a low Reynolds Number flow; i.e., 125,000. Nonlinear effects due to wake roll-up and the influence of the wings on the vortex path are included in the calculation by using a coupled iterative wake relaxation scheme. The interaction also affects the wing pressures and boundary layer characteristics: these effects are also considered using coupled integral boundary layer codes and preliminary calculations using free vortex sheet separation modelling are included. Calculated results are compared with water tunnel experimental data with generally remarkably good agreement.

Charge transfer collisions of Si^3+ with H at low energies

NASA Astrophysics Data System (ADS)

Joseph, D. C.; Gu, J. P.; Saha, B. C.

2009-11-01

Charge transfer of positively charged ions with atomic hydrogen is important not only in magnetically confined plasmas between impurity ions and H atoms from the chamber walls influences the overall ionization balance and effects the plasma cooling but also in astrophysics, where it plays a key role in determining the properties of the observed gas. It also provides a recombination mechanism for multiply charged ions in X-ray ionized astronomical environments. We report an investigation using the molecular-orbital close-coupling (MOCC) method, both quantum mechanically and semi-classically, in the adiabatic representation. Ab initio adiabatic potentials and coupling matrix elements--radial and angular--are calculated using the MRD-CI method. Comparison of our results with other theoretical as well as experimental findings will be discussed.

Dry coupling for whole-body small-animal photoacoustic computed tomography

NASA Astrophysics Data System (ADS)

Yeh, Chenghung; Li, Lei; Zhu, Liren; Xia, Jun; Li, Chiye; Chen, Wanyi; Garcia-Uribe, Alejandro; Maslov, Konstantin I.; Wang, Lihong V.

2017-04-01

We have enhanced photoacoustic computed tomography with dry acoustic coupling that eliminates water immersion anxiety and wrinkling of the animal and facilitates incorporating complementary modalities and procedures. The dry acoustic coupler is made of a tubular elastic membrane enclosed by a closed transparent water tank. The tubular membrane ensures water-free contact with the animal, and the closed water tank allows pressurization for animal stabilization. The dry coupler was tested using a whole-body small-animal ring-shaped photoacoustic computed tomography system. Dry coupling was found to provide image quality comparable to that of conventional water coupling.

Developing Interpretive Turbulence Models from a Database with Applications to Wind Farms and Shipboard Operations

NASA Astrophysics Data System (ADS)

Schau, Kyle A.

This thesis presents a complete method of modeling the autospectra of turbulence in closed form via an expansion series using the von Karman model as a basis function. It is capable of modeling turbulence in all three directions of fluid flow: longitudinal, lateral, and vertical, separately, thus eliminating the assumption of homogeneous, isotropic flow. A thorough investigation into the expansion series is presented, with the strengths and weaknesses highlighted. Furthermore, numerical aspects and theoretical derivations are provided. This method is then tested against three highly complex flow fields: wake turbulence inside wind farms, helicopter downwash, and helicopter downwash coupled with turbulence shed from a ship superstructure. These applications demonstrate that this method is remarkably robust, that the developed autospectral models are virtually tailored to the design of white noise driven shaping filters, and that these models in closed form facilitate a greater understanding of complex flow fields in wind engineering.

The serpentine optical waveguide: engineering the dispersion relations and the stopped light points.

PubMed

Scheuer, Jacob; Weiss, Ori

2011-06-06

We present a study a new type of optical slow-light structure comprising a serpentine shaped waveguide were the loops are coupled. The dispersion relation, group velocity and GVD are studied analytically using a transfer matrix method and numerically using finite difference time domain simulations. The structure exhibits zero group velocity points at the ends of the Brillouin zone, but also within the zone. The position of mid-zone zero group velocity point can be tuned by modifying the coupling coefficient between adjacent loops. Closed-form analytic expressions for the dispersion relations, group velocity and the mid-zone zero v(g) points are found and presented.

Statistical studies in stellar rotation 2: A method of analyzing rotational coupling in double stars and an introduction to its applications

NASA Technical Reports Server (NTRS)

Bernacca, P. L.

1971-01-01

The correlation between the equatorial velocities of the components of double stars is studied from a statistical standpoint. A theory of rotational correlation is developed and discussed with regard to its applicability to existing observations. The theory is then applied to a sample of visual binaries which are the least studied for rotational coupling. Consideration of eclipsing systems and spectroscopic binaries is limited to show how the degrees of freedom in the spin parallelism problem can be reduced. The analysis lends support to the existence of synchronism in closely spaced binaries.

Vibrational excitation and vibrationally resolved electronic excitation cross sections of positron-H2 scattering

NASA Astrophysics Data System (ADS)

Zammit, Mark; Fursa, Dmitry; Savage, Jeremy; Bray, Igor

2016-09-01

Vibrational excitation and vibrationally resolved electronic excitation cross sections of positron-H2 scattering have been calculated using the single-centre molecular convergent close-coupling (CCC) method. The adiabatic-nuclei approximation was utilized to model the above scattering processes and obtain the vibrationally resolved positron-H2 scattering length. As previously demonstrated, the CCC results are converged and accurately account for virtual and physical positronium formation by coupling basis functions with large orbital angular momentum. Here vibrationally resolved integrated and differential cross sections are presented over a wide energy range and compared with previous calculations and available experiments. Los Alamos National Laboratory and Curtin University.

Numerical simulation of premixed flame propagation in a closed tube

NASA Astrophysics Data System (ADS)

Kuzuu, Kazuto; Ishii, Katsuya; Kuwahara, Kunio

1996-08-01

Premixed flame propagation of methane-air mixture in a closed tube is estimated through a direct numerical simulation of the three-dimensional unsteady Navier-Stokes equations coupled with chemical reaction. In order to deal with a combusting flow, an extended version of the MAC method, which can be applied to a compressible flow with strong density variation, is employed as a numerical method. The chemical reaction is assumed to be an irreversible single step reaction between methane and oxygen. The chemical species are CH 4, O 2, N 2, CO 2, and H 2O. In this simulation, we reproduce a formation of a tulip flame in a closed tube during the flame propagation. Furthermore we estimate not only a two-dimensional shape but also a three-dimensional structure of the flame and flame-induced vortices, which cannot be observed in the experiments. The agreement between the calculated results and the experimental data is satisfactory, and we compare the phenomenon near the side wall with the one in the corner of the tube.

Analysis of a closed-kinematic chain robot manipulator

NASA Technical Reports Server (NTRS)

Nguyen, Charles C.; Pooran, Farhad J.

1988-01-01

Presented are the research results from the research grant entitled: Active Control of Robot Manipulators, sponsored by the Goddard Space Flight Center (NASA) under grant number NAG-780. This report considers a class of robot manipulators based on the closed-kinematic chain mechanism (CKCM). This type of robot manipulators mainly consists of two platforms, one is stationary and the other moving, and they are coupled together through a number of in-parallel actuators. Using spatial geometry and homogeneous transformation, a closed-form solution is derived for the inverse kinematic problem of the six-degree-of-freedom manipulator, built to study robotic assembly in space. Iterative Newton Raphson method is employed to solve the forward kinematic problem. Finally, the equations of motion of the above manipulators are obtained by employing the Lagrangian method. Study of the manipulator dynamics is performed using computer simulation whose results show that the robot actuating forces are strongly dependent on the mass and centroid locations of the robot links.

Quantum close coupling calculation of transport and relaxation properties for Hg-H2 system

NASA Astrophysics Data System (ADS)

Nemati-Kande, Ebrahim; Maghari, Ali

2016-11-01

Quantum mechanical close coupling calculation of the state-to-state transport and relaxation cross sections have been done for Hg-H2 molecular system using a high-level ab initio potential energy surface. Rotationally averaged cross sections were also calculated to obtain the energy dependent Senftleben-Beenakker cross sections at the energy range of 0.005-25,000 cm-1. Boltzmann averaging of the energy dependent Senftleben-Beenakker cross sections showed the temperature dependency over a wide temperature range of 50-2500 K. Interaction viscosity and diffusion coefficients were also calculated using close coupling cross sections and full classical Mason-Monchick approximation. The results were compared with each other and with the available experimental data. It was found that Mason-Monchick approximation for viscosity is more reliable than diffusion coefficient. Furthermore, from the comparison of the experimental diffusion coefficients with the result of the close coupling and Mason-Monchick approximation, it was found that the Hg-H2 potential energy surface used in this work can reliably predict diffusion coefficient data.

Analytical solutions for sequentially coupled one-dimensional reactive transport problems Part I: Mathematical derivations

NASA Astrophysics Data System (ADS)

Srinivasan, V.; Clement, T. P.

2008-02-01

Multi-species reactive transport equations coupled through sorption and sequential first-order reactions are commonly used to model sites contaminated with radioactive wastes, chlorinated solvents and nitrogenous species. Although researchers have been attempting to solve various forms of these reactive transport equations for over 50 years, a general closed-form analytical solution to this problem is not available in the published literature. In Part I of this two-part article, we derive a closed-form analytical solution to this problem for spatially-varying initial conditions. The proposed solution procedure employs a combination of Laplace and linear transform methods to uncouple and solve the system of partial differential equations. Two distinct solutions are derived for Dirichlet and Cauchy boundary conditions each with Bateman-type source terms. We organize and present the final solutions in a common format that represents the solutions to both boundary conditions. In addition, we provide the mathematical concepts for deriving the solution within a generic framework that can be used for solving similar transport problems.

Dual representation of lattice QCD with worldlines and worldsheets of Abelian color fluxes

NASA Astrophysics Data System (ADS)

Marchis, Carlotta; Gattringer, Christof

2018-02-01

We present a new dual representation for lattice QCD in terms of wordlines and worldsheets. The exact reformulation is carried out using the recently developed Abelian color flux method where the action is decomposed into commuting minimal terms that connect different colors on neighboring sites. Expanding the Boltzmann factors for these commuting terms allows one to reorganize the gauge field contributions according to links such that the gauge fields can be integrated out in closed form. The emerging constraints give the dual variables the structure of worldlines for the fermions and worldsheets for the gauge degrees of freedom. The partition sum has the form of a strong coupling expansion, and with the Abelian color flux approach discussed here all coefficients of the expansion are known in closed form. We present the dual form for three cases: pure SU(3) lattice gauge theory, strong coupling QCD and full QCD, and discuss in detail the constraints for the color fluxes and their physical interpretation.

VizieR Online Data Catalog: Effective collision strengths of Si VII (Sossah+, 2014)

NASA Astrophysics Data System (ADS)

Sossah, A. M.; Tayal, S. S.

2017-08-01

The purpose of present work is to calculate more accurate data for Si VII by using highly accurate target descriptions and by including a sufficient number of target states in the close-coupling expansion. We also included fine-structure effects in the close-coupling expansions to account for the relativistic effects. We used the B-spline Breit-Pauli R-matrix (BSR) codes (Zatsarinny 2006CoPhC.174..273Z) in our scattering calculations. The present method utilizes the term-dependent non-orthogonal orbital sets for the description of the target wave functions and scattering functions. The collisional and radiative parameters have been calculated for all forbidden and allowed transitions between the lowest 92 LSJ levels of 2s22p4, 2s2p5, 2p6, 2s22p33s, 2s22p33p, 2s22p33d, and 2s2p43s configurations of Si VII. (3 data files).

Electron impact excitation of molecular hydrogen

DOE PAGES

Zammit, Mark Christian; Savage, Jeremy S.; Fursa, Dmitry V.; ...

2017-02-06

Here, we report the electron impact integrated and differential cross sections for excitation to the b 3Σmore » $$+\\atop{u}$$, a 3Σ$$+\\atop{g}$$, c 3Π u, B 1Σ$$+\\atop{u}$$, E, F 1Σ$$+\\atop{g}$$, C 1Π u, e 3Σ$$+\\atop{u}$$, h 3Σ $$+\\atop{g}$$, d 3Π u, B'' 1Σ$$+\\atop{u}$$ , D 1Π u, B'' 1Σ$$+\\atop{u}$$, and D' 1Π u states of molecular hydrogen in the energy range from 10 to 300 eV. Total scattering and total ionization cross sections are also presented. The calculations have been performed by using the convergent close-coupling method within the fixed-nuclei approximation. Detailed convergence studies have been performed with respect to the size of the close-coupling expansion and a set of recommended cross sections has been produced. Significant differences with previous calculations are found. Agreement with experiment is mixed, ranging from excellent to poor depending on the transition and incident energies.« less

Improvements in closeness, communication, and psychological distress mediate effects of couple therapy for veterans.

PubMed

Doss, Brian D; Mitchell, Alexandra; Georgia, Emily J; Biesen, Judith N; Rowe, Lorelei Simpson

2015-04-01

Empirically based couple therapy results in significant improvements in relationship satisfaction for the average couple; however, further research is needed to identify mediators that lead to change and to ensure that improvements in mediators predict subsequent-not just concurrent-relationship satisfaction. In addition, given that much of the current literature on couple therapy examines outcomes in a research environment, it is important to examine mediators in a treatment-as-usual setting. To address these questions, 161 heterosexual couples (322 individuals) received treatment-as-usual couple therapy at one of two Veteran Administration Medical Centers (M = 5.0 and 13.0 sessions at the two sites) and were assessed before every session. The majority of couples were married (85%) and had been together for a median of 7.8 years (SD = 13). Participants were primarily White, non-Hispanic (69%), African American (21%), and White, Hispanic/Latino (8%). Individuals' own self-reported improvements in communication, emotional closeness, and psychological distress (but not frequency of behaviors targeted in treatment) mediated the effect of treatment on their subsequent relationship satisfaction. When all significant mediators were examined simultaneously, improvements in men's and women's emotional closeness and men's psychological distress independently mediated subsequent relationship satisfaction. In contrast, improvements in earlier relationship satisfaction mediated the effect of treatment only on subsequent psychological distress. This study identifies unique mediators of treatment effects and shows that gains in mechanisms predict subsequent relationship satisfaction. Future investigations should focus on the role of emotional closeness and psychological distress-constructs that have often been neglected-in couple therapy. (PsycINFO Database Record (c) 2015 APA, all rights reserved).

Quantum mechanical generalized phase-shift approach to atom-surface scattering: a Feshbach projection approach to dealing with closed channel effects.

PubMed

Maji, Kaushik; Kouri, Donald J

2011-03-28

We have developed a new method for solving quantum dynamical scattering problems, using the time-independent Schrödinger equation (TISE), based on a novel method to generalize a "one-way" quantum mechanical wave equation, impose correct boundary conditions, and eliminate exponentially growing closed channel solutions. The approach is readily parallelized to achieve approximate N(2) scaling, where N is the number of coupled equations. The full two-way nature of the TISE is included while propagating the wave function in the scattering variable and the full S-matrix is obtained. The new algorithm is based on a "Modified Cayley" operator splitting approach, generalizing earlier work where the method was applied to the time-dependent Schrödinger equation. All scattering variable propagation approaches to solving the TISE involve solving a Helmholtz-type equation, and for more than one degree of freedom, these are notoriously ill-behaved, due to the unavoidable presence of exponentially growing contributions to the numerical solution. Traditionally, the method used to eliminate exponential growth has posed a major obstacle to the full parallelization of such propagation algorithms. We stabilize by using the Feshbach projection operator technique to remove all the nonphysical exponentially growing closed channels, while retaining all of the propagating open channel components, as well as exponentially decaying closed channel components.

Coupling BCI and cortical stimulation for brain-state-dependent stimulation: methods for spectral estimation in the presence of stimulation after-effects

PubMed Central

Walter, Armin; Murguialday, Ander R.; Rosenstiel, Wolfgang; Birbaumer, Niels; Bogdan, Martin

2012-01-01

Brain-state-dependent stimulation (BSDS) combines brain-computer interfaces (BCIs) and cortical stimulation into one paradigm that allows the online decoding for example of movement intention from brain signals while simultaneously applying stimulation. If the BCI decoding is performed by spectral features, stimulation after-effects such as artefacts and evoked activity present a challenge for a successful implementation of BSDS because they can impair the detection of targeted brain states. Therefore, efficient and robust methods are needed to minimize the influence of the stimulation-induced effects on spectral estimation without violating the real-time constraints of the BCI. In this work, we compared four methods for spectral estimation with autoregressive (AR) models in the presence of pulsed cortical stimulation. Using combined EEG-TMS (electroencephalography-transcranial magnetic stimulation) as well as combined electrocorticography (ECoG) and epidural electrical stimulation, three patients performed a motor task using a sensorimotor-rhythm BCI. Three stimulation paradigms were varied between sessions: (1) no stimulation, (2) single stimulation pulses applied independently (open-loop), or (3) coupled to the BCI output (closed-loop) such that stimulation was given only while an intention to move was detected using neural data. We found that removing the stimulation after-effects by linear interpolation can introduce a bias in the estimation of the spectral power of the sensorimotor rhythm, leading to an overestimation of decoding performance in the closed-loop setting. We propose the use of the Burg algorithm for segmented data to deal with stimulation after-effects. This work shows that the combination of BCIs controlled with spectral features and cortical stimulation in a closed-loop fashion is possible when the influence of stimulation after-effects on spectral estimation is minimized. PMID:23162436

Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling.

PubMed

Wang, Zhifan; Hu, Shu; Wang, Fan; Guo, Jingwei

2015-04-14

In this work, we report implementation of the equation-of-motion coupled-cluster method for doubly ionized states (EOM-DIP-CC) with spin-orbit coupling (SOC) using a closed-shell reference. Double ionization potentials (DIPs) are calculated in the space spanned by 2h and 3h1p determinants with the EOM-DIP-CC approach at the CC singles and doubles level (CCSD). Time-reversal symmetry together with spatial symmetry is exploited to reduce computational effort. To circumvent the problem of unstable dianion references when diffuse basis functions are included, nuclear charges are scaled. Effect of this stabilization potential on DIPs is estimated based on results from calculations using a small basis set without diffuse basis functions. DIPs and excitation energies of some low-lying states for a series of open-shell atoms and molecules containing heavy elements with two unpaired electrons have been calculated with the EOM-DIP-CCSD approach. Results show that this approach is able to afford a reliable description on SOC splitting. Furthermore, the EOM-DIP-CCSD approach is shown to provide reasonable excitation energies for systems with a dianion reference when diffuse basis functions are not employed.

Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling

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

Wang, Zhifan; Hu, Shu; Guo, Jingwei

2015-04-14

In this work, we report implementation of the equation-of-motion coupled-cluster method for doubly ionized states (EOM-DIP-CC) with spin-orbit coupling (SOC) using a closed-shell reference. Double ionization potentials (DIPs) are calculated in the space spanned by 2h and 3h1p determinants with the EOM-DIP-CC approach at the CC singles and doubles level (CCSD). Time-reversal symmetry together with spatial symmetry is exploited to reduce computational effort. To circumvent the problem of unstable dianion references when diffuse basis functions are included, nuclear charges are scaled. Effect of this stabilization potential on DIPs is estimated based on results from calculations using a small basis setmore » without diffuse basis functions. DIPs and excitation energies of some low-lying states for a series of open-shell atoms and molecules containing heavy elements with two unpaired electrons have been calculated with the EOM-DIP-CCSD approach. Results show that this approach is able to afford a reliable description on SOC splitting. Furthermore, the EOM-DIP-CCSD approach is shown to provide reasonable excitation energies for systems with a dianion reference when diffuse basis functions are not employed.« less

Closed-form nonlinear frequency of flexoelectric nanobeams with surface and nonlocal effects under closed circuit electric field

NASA Astrophysics Data System (ADS)

Barati, Mohammad Reza

2018-02-01

Nonlocal and surface effects on nonlinear vibration characteristics of a flexoelectric nanobeams under magnetic field are examined. Eringen’s nonlocal elasticity as well as surface elasticity theories are employed to describe the size-dependency of the flexoelectric nanobeam. Also, flexoelectricity is an important size-dependent phenomena for piezoelectric structures at nanoscale, related to the strain gradient-electric polarization coupling. After the derivation of governing equation via Hamilton’s principle, Galerkin method is employed to satisfy boundary conditions. Also, analytical procedures are implemented to obtain the closed-form nonlinear frequency of flexoelectric nanobeam. It is showed that magnetic field intensity, flexoelectric parameter, nonlocal parameter, elastic foundation and applied voltage on the top surface of the nanobeam have great influences on nonlinear vibration frequency.

Vortex maneuver lift for super-cruise configurations

NASA Technical Reports Server (NTRS)

Campbell, J. F.; Gloss, B. B.; Lamar, J. E.

1976-01-01

Some of the theoretical and experimental research conducted at the NASA Langley Research Center is presented to investigate the subsonic vortex-lift producing capabilities for two classes of Super-Cruise designs: a close-coupled wing-canard arrangement and a slender wing configuration. In addition, several analytical methods are discussed for estimating critical structural design loads for thin, highly swept wings having separated leading-edge vortex flows.

Estimating watershed evapotranspiration across the United States using multiple methods

Treesearch

Ge Sun; Shanlei Sun; Jingfeng Xiao; Peter Caldwell; Devendra Amatya; Suat Irmak; Prasanna H. Gowda; Sudhanshu Panda; Steve McNulty; Yang Zhang

2016-01-01

Evapotranspiration (ET) is the largest watershed water balance component only next to precipitation in the United States. ET is closely coupled with ecosystem carbon and energy fluxes, affects flooding or drought magnitude, and is also a good predictor for biodiversity at a regional scale.Thus, accurately estimating ET is of paramount importance to quantify the effects...

Combining Charge Couple Devices and Rate Sensors for the Feedforward Control System of a Charge Coupled Device Tracking Loop.

PubMed

Tang, Tao; Tian, Jing; Zhong, Daijun; Fu, Chengyu

2016-06-25

A rate feed forward control-based sensor fusion is proposed to improve the closed-loop performance for a charge couple device (CCD) tracking loop. The target trajectory is recovered by combining line of sight (LOS) errors from the CCD and the angular rate from a fiber-optic gyroscope (FOG). A Kalman filter based on the Singer acceleration model utilizes the reconstructive target trajectory to estimate the target velocity. Different from classical feed forward control, additive feedback loops are inevitably added to the original control loops due to the fact some closed-loop information is used. The transfer function of the Kalman filter in the frequency domain is built for analyzing the closed loop stability. The bandwidth of the Kalman filter is the major factor affecting the control stability and close-loop performance. Both simulations and experiments are provided to demonstrate the benefits of the proposed algorithm.

Surface plasmon-assisted microscope.

PubMed

Borejdo, Julian; Gryczynski, Zygmunt; Fudala, Rafal; Joshi, Chaitanya R; Borgmann, Kathleen; Ghorpade, Anuja; Gryczynski, Ignacy

2018-06-01

Total internal reflection microscopy (TIRF) has been a powerful tool in biological research. The most valuable feature of the method has been the ability to image 100- to 200-nm-thick layer of cell features adjacent to a coverslip, such as membrane lipids, membrane receptors, and structures proximal-to-basal membranes. Here, we demonstrate an alternative method of imaging thin-layer proximal-to-basal membranes by placing a sample on a high refractive index coverslip covered by a thin layer of gold. The sample is illuminated using the Kretschmann method (i.e., from the top to an aqueous medium). Fluorophores that are close to the metal surface induce surface plasmons in the metal film. Fluorescence from fluorophores near the metal surface couple with surface plasmons allowing them to penetrate the metal surface and emerge at a surface plasmon coupled emission angle. The thickness of the detection layer is further reduced in comparison with TIRF by metal quenching of fluorophores at a close proximity (below 10 nm) to a surface. Fluorescence is collected by a high NA objective and imaged by EMCCD or converted to a signal by avalanche photodiode fed by a single-mode optical fiber inserted in the conjugate image plane of the objective. The system avoids complications of through-the-objective TIRF associated with shared excitation and emission light path, has thin collection thickness, produces excellent background rejection, and is an effective method to study molecular motion. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

A Multi-Method Examination of Negative Behaviors during Couples Interactions and Problem Drinking Trajectories

PubMed Central

Fairbairn, Catharine E.; Cranford, James A.

2016-01-01

Models of alcohol use disorder (AUD) are increasingly conceptualizing social and relationship factors as being critical to the understanding of problem drinking. Close relationships involving conflict have been a particular research focus, and partners’ expressions of negative emotion are theorized to impact drinking among those with AUD. While it has long been presumed that behaviors during couples interactions influence drinking—and this assumption has informed many modern treatments for AUD—this hypothesis has not been directly tested. We bring multiple methods to bear on this question, combining laboratory based behavioral-observation with a longitudinal design. Forty-eight individuals with AUD (probands), together with their partners, completed a laboratory-based conflict interaction. Their behavior was coded with the Rapid Marital Interaction Coding System. Longitudinal follow-ups of drinking behaviors were completed at 6 and 12 months. Results showed that, above and beyond the proband’s own behaviors, partner negative behaviors moderated probands’ drinking trajectories, with drinkers whose partners displayed higher levels of hostility at baseline reporting slower declines in frequency of a) drinking, b) heavy episodic drinking, and c) alcohol problems over time and higher levels of drinking, heavy episodic drinking, and alcohol problems at follow-up. Results emphasize the importance of considering close relationships in the study of AUD and further indicate the utility of combining multiple methods in alcohol research. PMID:27362489

The current matrix elements from HAL QCD method

NASA Astrophysics Data System (ADS)

Watanabe, Kai; Ishii, Noriyoshi

2018-03-01

HAL QCD method is a method to construct a potential (HAL QCD potential) that reproduces the NN scattering phase shift faithful to the QCD. The HAL QCD potential is obtained from QCD by eliminating the degrees of freedom of quarks and gluons and leaving only two particular hadrons. Therefor, in the effective quantum mechanics of two nucleons defined by HAL QCD potential, the conserved current consists not only of the nucleon current but also an extra current originating from the potential (two-body current). Though the form of the two-body current is closely related to the potential, it is not straight forward to extract the former from the latter. In this work, we derive the the current matrix element formula in the quantum mechanics defined by the HAL QCD potential. As a first step, we focus on the non-relativistic case. To give an explicit example, we consider a second quantized non-relativistic two-channel coupling model which we refer to as the original model. From the original model, the HAL QCD potential for the open channel is constructed by eliminating the closed channel in the elastic two-particle scattering region. The current matrix element formula is derived by demanding the effective quantum mechanics defined by the HAL QCD potential to respond to the external field in the same way as the original two-channel coupling model.

PLZT Ceramic Driving Rotary Micro-mirror Based on Photoelectric-electrostatic Mechanism

NASA Astrophysics Data System (ADS)

Tang, Yujuan; Yang, Zhong; Chen, Yusong; Wang, Xinjie

2017-12-01

Based on the anomalous photovoltaic effect of PLZT, a rotary micro-mirror driven by hybrid photoelectric-electrostatic actuation of PLZT ceramic is proposed. Firstly, the mathematical modelling of coupled multi-physics fields of PLZT ceramic is established during illumination and light off phases. Then, the relationship between the rotation angle and the photovoltage of PLZT ceramics is established. In addition, the feasibility of rotary micro-mirror with hybrid photoelectric-electrostatic driving is verified via closed-loop control for photo-induced voltage of PLZT ceramic. The experimental results show that the photo-induced voltage of PLZT ceramics has good dynamic control precision using on-off closed-loop control method.

Positive isolation disconnect

NASA Technical Reports Server (NTRS)

Friedell, M. V. (Inventor)

1978-01-01

A disconnect composed basically of two halves each consisting of a poppet valve operable to isolate fluid with essentially zero fluid loss is presented. The two halves are coupled together by a quickly releasable coupling which may be either a coupling ring tightened or loosened by a twisting motion, or a clamp operated by a pivoted to prevent disconnecting the two halves until both valves are in closed condition. The positive feature of the device is one requiring a valve closing step before a disconnect step, and takes structural form in an accentric lobe mounted on the valve operating stem. If some obstruction prevents the poppet from moving to its seat, the eccentric lobe cannot be rotated to the closed position, and the interlock prevents a disconnect.

Lagrangian numerical methods for ocean biogeochemical simulations

NASA Astrophysics Data System (ADS)

Paparella, Francesco; Popolizio, Marina

2018-05-01

We propose two closely-related Lagrangian numerical methods for the simulation of physical processes involving advection, reaction and diffusion. The methods are intended to be used in settings where the flow is nearly incompressible and the Péclet numbers are so high that resolving all the scales of motion is unfeasible. This is commonplace in ocean flows. Our methods consist in augmenting the method of characteristics, which is suitable for advection-reaction problems, with couplings among nearby particles, producing fluxes that mimic diffusion, or unresolved small-scale transport. The methods conserve mass, obey the maximum principle, and allow to tune the strength of the diffusive terms down to zero, while avoiding unwanted numerical dissipation effects.

Partial synchronization of relaxation oscillators with repulsive coupling in autocatalytic integrate-and-fire model and electrochemical experiments

NASA Astrophysics Data System (ADS)

Kori, Hiroshi; Kiss, István Z.; Jain, Swati; Hudson, John L.

2018-04-01

Experiments and supporting theoretical analysis are presented to describe the synchronization patterns that can be observed with a population of globally coupled electrochemical oscillators close to a homoclinic, saddle-loop bifurcation, where the coupling is repulsive in the electrode potential. While attractive coupling generates phase clusters and desynchronized states, repulsive coupling results in synchronized oscillations. The experiments are interpreted with a phenomenological model that captures the waveform of the oscillations (exponential increase) followed by a refractory period. The globally coupled autocatalytic integrate-and-fire model predicts the development of partially synchronized states that occur through attracting heteroclinic cycles between out-of-phase two-cluster states. Similar behavior can be expected in many other systems where the oscillations occur close to a saddle-loop bifurcation, e.g., with Morris-Lecar neurons.

The fully relativistic implementation of the convergent close-coupling method

NASA Astrophysics Data System (ADS)

Bostock, Christopher James

2011-04-01

The calculation of accurate excitation and ionization cross sections for electron collisions with atoms and ions plays a fundamental role in atomic and molecular physics, laser physics, x-ray spectroscopy, plasma physics and chemistry. Within the veil of plasma physics lie important research areas affiliated with the lighting industry, nuclear fusion and astrophysics. For high energy projectiles or targets with a large atomic number it is presently understood that a scattering formalism based on the Dirac equation is required to incorporate relativistic effects. This tutorial outlines the development of the relativistic convergent close-coupling (RCCC) method and highlights the following three main accomplishments. (i) The inclusion of the Breit interaction, a relativistic correction to the Coulomb potential, in the RCCC method. This led to calculations that resolved a discrepancy between theory and experiment for the polarization of x-rays emitted by highly charged hydrogen-like ions excited by electron impact (Bostock et al 2009 Phys. Rev. A 80 052708). (ii) The extension of the RCCC method to accommodate two-electron and quasi-two-electron targets. The method was applied to electron scattering from mercury. Accurate plasma physics modelling of mercury-based fluorescent lamps requires detailed information on a large number of electron impact excitation cross sections involving transitions between various states (Bostock et al 2010 Phys. Rev. A 82 022713). (iii) The third accomplishment outlined in this tutorial is the restructuring of the RCCC computer code to utilize a hybrid OpenMP-MPI parallelization scheme which now enables the RCCC code to run on the latest high performance supercomputer architectures.

Efficient dynamic modeling of manipulators containing closed kinematic loops

NASA Astrophysics Data System (ADS)

Ferretti, Gianni; Rocco, Paolo

An approach to efficiently solve the forward dynamics problem for manipulators containing closed chains is proposed. The two main distinctive features of this approach are: the dynamics of the equivalent open loop tree structures (any closed loop can be in general modeled by imposing some additional kinematic constraints to a suitable tree structure) is computed through an efficient Newton Euler formulation; the constraint equations relative to the most commonly adopted closed chains in industrial manipulators are explicitly solved, thus, overcoming the redundancy of Lagrange's multipliers method while avoiding the inefficiency due to a numerical solution of the implicit constraint equations. The constraint equations considered for an explicit solution are those imposed by articulated gear mechanisms and planar closed chains (pantograph type structures). Articulated gear mechanisms are actually used in all industrial robots to transmit motion from actuators to links, while planar closed chains are usefully employed to increase the stiffness of the manipulators and their load capacity, as well to reduce the kinematic coupling of joint axes. The accuracy and the efficiency of the proposed approach are shown through a simulation test.

Vibrationally-resolved Charge Transfer of O^3+ Ions with Molecular Hydrogen

NASA Astrophysics Data System (ADS)

Wang, J. G.; Stancil, P. C.; Turner, A. R.; Cooper, D. L.

2003-05-01

Charge transfer processes due to collisions of ground state O^3+ ions with H2 are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. Vibrationally-resolved cross sections for energies between 0.1 eV/u and 2 keV/u using the infinite order sudden approximation (IOSA), vibrational sudden approximation (VSA), and electronic approximation (EA), but including Frank-Condon factors (the centroid approximation) will be presented. Comparison with existing experimental data for total cross sections shows best agreement with IOSA and discrepancies for VSA and EA. Triplet-singlet cross section ratios obtained with IOSA are found generally to be in harmony with experiment. JGW and PCS acknowledge support from NASA grant 11453.

Perfect absorption of low-frequency sound waves by critically coupled subwavelength resonant system

NASA Astrophysics Data System (ADS)

Long, Houyou; Cheng, Ying; Tao, Jiancheng; Liu, Xiaojun

2017-01-01

The perfect absorption (PA) for low-frequency audible sound waves has been achieved by critically coupling the inherent loss factor to the inherent leakage factor of a system, which is constructed by attaching a deep-subwavelength lossy resonant plate (LRP) to a backed rigid wall closely. We have certified it by using the graphical method in the complex frequency plane. By coupling the LRP to an air cavity in front of the rigid wall, the high efficient (>80%) low-frequency broadband absorption is obtained from 99.1 Hz to 294.8 Hz. Here, the thickness of LRP is only 1/13.5 of the relevant wavelength at 294.8 Hz. The impedance analyses further demonstrate that the impedances are perfectly matched between the system and the surrounding background medium at PA.

Pulsed interrupter and method of operation

DOEpatents

Drake, Joel Lawton; Kratz, Robert

2015-06-09

Some embodiments provide interrupter systems comprising: a first electrode; a second electrode; a piston movably located at a first position and electrically coupled with the first and second electrodes establishing a closed state, the piston comprises an electrical conductor that couples with the first and second electrodes providing a conductive path; an electromagnetic launcher configured to, when activated, induce a magnetic field pulse causing the piston to move away from the electrical coupling with the first and second electrodes establishing an open circuit between the first and second electrodes; and a piston control system comprising a piston arresting system configured to control a deceleration of the piston following the movement of the piston induced by the electromagnetic launcher such that the piston is not in electrical contact with at least one of the first electrode and the second electrode when in the open state.

Snare coupling of the pre-pectoral pacing lead delivery catheter to the femoral transseptal apparatus for endocardial cardiac resynchronization therapy : mid-term results.

PubMed

Patel, Mehul B; Worley, Seth J

2013-04-01

Limitations imposed by the coronary sinus venous anatomy triggered the transseptal approach for endocardial LV lead placement. The alignment of the interatrial septum (IAS) and its neighborhood anatomy does not favor transseptal puncture from the pre-pectoral area. Locating and advancing a pre-pectoral LV lead delivery catheter (PDC) through an opening created in the IAS via femoral transseptal puncture (FTP) is time consuming and technically difficult. We describe a method where the PDC is snare coupled to the femoral transseptal apparatus (FTA). When the FTA is advanced into the left atrium (LA) the coupled PDC follows. The catheter of a 25-mm loop snare kit is replaced with the PDC (SelectSite®). The snare loop is positioned in the right common iliac vein from the pre-pectoral access. The PDC is coupled to the FTA by advancing the transseptal apparatus through the open snare loop. After conventional FTP, the FTA is withdrawn back into the right atrium (RA) over an extra support wire positioned in the LA. The PDC with open snare loop is pulled over the FTA up to the RA. The PDC is advanced to close the snare loop on the extra support wire immediately distal to the tip of the dilator close to the puncture site. The PDC is deflected to align with the FTA. The snare coupled catheters are gently advanced across the IAS into the LA. The PDC is released from the FTA by advancing the snare and opening the loop; the snare is then removed from the PDC. The PDC is deflected and advanced into the left ventricle (LV). After positioning the 4.1 Fr lumen less LV lead, the PDC is sliced and removed. The PDC snare coupled to the FTA was advanced into the LA in all five patients, however, access was lost during catheter manipulation in the one right-sided case. Endocardial LV lead was successfully positioned in all five patients. Snare coupling the pre-pectoral SelectSite® catheter to the FTA is technically simple, reliable and a safe method for transseptal endocardial LV lead placement for left pre-pectoral implantation.

The Lightning Electromagnetic Pulse Coupling Effect Inside the Shielding Enclosure With Penetrating Wire

NASA Astrophysics Data System (ADS)

Jiao, Xue; Yang, Bo

2017-10-01

To study the lightning electromagnetic pulse (LEMP) coupling and protection problems of shielding enclosure with penetrating wire, we adopt the model with proper size which is close to the practical engineering and the two-step finite-difference time-domain (FDTD) method is used for calculation in this paper. It is shown that the coupling voltage on the circuit lead inside the enclosure increases about 34 dB, when add 1.0 m long penetrating wire at the aperture, comparing with the case without penetrating wire. Meanwhile, the waveform, has the same wave outline as the lightning current source, shows that the penetrating wire brings a large number of low frequency component into the enclosure. The coupling effect in the enclosure will reduce greatly when penetrating wire has electrical connection with the enclosure at the aperture and the coupling voltage increase only about 12 dB than the case without penetrating wire. Moreover, the results show that though the waveguide pipe can reduce the coupling effect brought by the penetrating wire, the exposing part of penetrating wire can increase the coupling when the penetrating wire outside the enclosure is longer than the waveguide pipe and the longer the exposing part is, the stronger the coupling is.

Potential energy curves of the Na2+ molecular ion from all-electron ab initio relativistic calculations

NASA Astrophysics Data System (ADS)

Bewicz, Anna; Musiał, Monika; Kucharski, Stanisław A.

2017-11-01

The equation-of-motion coupled-cluster method for electron affinity calculations has been used to study potential energy curves (PECs) for the Na+2 molecular ion. Although the studied molecule represents the open shell system the applied approach employs the closed shell Na+ 22 ion as the reference. In addition the Na+ 22 system dissociates into the closed shell fragments; hence, the restricted Hartree-Fock scheme can be used within the whole range of interatomic distances, from 2 to 45 Å. We used large basis set engaging 268 basis functions with all 21 electrons correlated. The relativistic effects are included via second-order Douglas-Kroll method. The computed PECs, spectroscopic molecular constants and vibrational energy levels agree well with experimental values if the latter are available or with other theoretical data.

Simulation of cortico-basal ganglia oscillations and their suppression by closed loop deep brain stimulation.

PubMed

Grant, Peadar F; Lowery, Madeleine M

2013-07-01

A new model of deep brain stimulation (DBS) is presented that integrates volume conduction effects with a neural model of pathological beta-band oscillations in the cortico-basal ganglia network. The model is used to test the clinical hypothesis that closed-loop control of the amplitude of DBS may be possible, based on the average rectified value of beta-band oscillations in the local field potential. Simulation of closed-loop high-frequency DBS was shown to yield energy savings, with the magnitude of the energy saved dependent on the strength of coupling between the subthalamic nucleus and the remainder of the cortico-basal ganglia network. When closed-loop DBS was applied to a strongly coupled cortico-basal ganglia network, the stimulation energy delivered over a 480 s period was reduced by up to 42%. Greater energy reductions were observed for weakly coupled networks, as the stimulation amplitude reduced to zero once the initial desynchronization had occurred. The results provide support for the application of closed-loop high-frequency DBS based on electrophysiological biomarkers.

Flow visualization study of close-coupled canard wing and strake wing configuration

NASA Technical Reports Server (NTRS)

Miner, D. D.; Gloss, B. B.

1975-01-01

The Langley 1/8-scale V/STOL model tunnel was used to qualitatively determine the flow fields associated with semi-span close coupled canard wing and strake wing models. Small helium filled bubbles were injected upstream of the models to make the flow visible. Photographs were taken over the angle-of-attack ranges of -10 deg to 40 deg.

Positron-rubidium scattering

NASA Technical Reports Server (NTRS)

Mceachran, R. P.; Horbatsch, M.; Stauffer, A. D.

1990-01-01

A 5-state close-coupling calculation (5s-5p-4d-6s-6p) was carried out for positron-Rb scattering in the energy range 3.7 to 28.0 eV. In contrast to the results of similar close-coupling calculations for positron-Na and positron-K scattering the (effective) total integrated cross section has an energy dependence which is contrary to recent experimental measurements.

Acousto-Optical Method of Encoding and Visualization of Underwater Space

DTIC Science & Technology

2014-01-27

neurons which are mathematically described as coupled nonlinear oscillators that are slightly unstable. They have a property called ’ Self - Referential ... self - regulating process which is represented by Equation (5) in the ensuing description. [0083] The input/output circuitry 64 outputs signals that...other words, self -correcting dynamics of the Na and Ca ions in the membranes are closely related to the sensing and the flopping of motion actuators

Vibrational cross sections for positron scattering by nitrogen molecules

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

Mazon, K. T.; Tenfen, W.; Michelin, S. E.

2010-09-15

We present a systematic study of low-energy positron collision with nitrogen molecules. Vibrational elastic and excitation cross sections are calculated using the multichannel version of the continued fractions method in the close-coupling scheme for the positron incident energy up to 20 eV. The interaction potential is treated within the static-correlation-polarization approximation. The comparison of our calculated data with existing theoretical and experimental results is encouraging.

Antihydrogen Formation via Antiproton Scattering with Excited Positronium.

PubMed

Kadyrov, A S; Rawlins, C M; Stelbovics, A T; Bray, I; Charlton, M

2015-05-08

Utilizing the two-center convergent close-coupling method, we find a several order of magnitude enhancement in the formation of antihydrogen via antiproton scattering with positronium in an excited state over the ground state. The effect is greatest at the lowest energies considered, which encompass those achievable in experiment. This suggests a practical approach to creating neutral antimatter for testing its interaction with gravity and for spectroscopic measurements.

Efficient creation of dipolar coupled nitrogen-vacancy spin qubits in diamond

NASA Astrophysics Data System (ADS)

Jakobi, I.; Momenzadeh, S. A.; Fávaro de Oliveira, F.; Michl, J.; Ziem, F.; Schreck, M.; Neumann, P.; Denisenko, A.; Wrachtrup, J.

2016-09-01

Coherently coupled pairs or multimers of nitrogen-vacancy defect electron spins in diamond have many promising applications especially in quantum information processing (QIP) but also in nanoscale sensing applications. Scalable registers of spin qubits are essential to the progress of QIP. Ion implantation is the only known technique able to produce defect pairs close enough to allow spin coupling via dipolar interaction. Although several competing methods have been proposed to increase the resulting resolution of ion implantation, the reliable creation of working registers is still to be demonstrated. The current limitation are residual radiation-induced defects, resulting in degraded qubit performance as trade-off for positioning accuracy. Here we present an optimized estimation of nanomask implantation parameters that are most likely to produce interacting qubits under standard conditions. We apply our findings to a well-established technique, namely masks written in electron-beam lithography, to create coupled defect pairs with a reasonable probability. Furthermore, we investigate the scaling behavior and necessary improvements to efficiently engineer interacting spin architectures.

Study of the effect of distance and misalignment between magnetically coupled coils for wireless power transfer in intraocular pressure measurement.

PubMed

Rendon-Nava, Adrian E; Díaz-Méndez, J Alejandro; Nino-de-Rivera, Luis; Calleja-Arriaga, Wilfrido; Gil-Carrasco, Felix; Díaz-Alonso, Daniela

2014-01-01

An analysis of the effect of distance and alignment between two magnetically coupled coils for wireless power transfer in intraocular pressure measurement is presented. For measurement purposes, a system was fabricated consisting of an external device, which is a Maxwell-Wien bridge circuit variation, in charge of transferring energy to a biomedical implant and reading data from it. The biomedical implant is an RLC tank circuit, encapsulated by a polyimide coating. Power transfer was done by magnetic induction coupling method, by placing one of the inductors of the Maxwell-Wien bridge circuit and the inductor of the implant in close proximity. The Maxwell-Wien bridge circuit was biased with a 10 MHz sinusoidal signal. The analysis presented in this paper proves that wireless transmission of power for intraocular pressure measurement is feasible with the measurement system proposed. In order to have a proper inductive coupling link, special care must be taken when placing the two coils in proximity to avoid misalignment between them.

Population Dynamics of Excited Atoms in Dissipative Cavities

NASA Astrophysics Data System (ADS)

Zou, Hong-Mei; Liu, Yu; Fang, Mao-Fa

2016-10-01

Population dynamics of excited atoms in dissipative cavities is investigated in this work. We present a method of controlling populations of excited atoms in dissipative cavities. For the initial state | e e> A B |00> a b , the repopulation of excited atoms can be obtained by using atom-cavity couplings and non-Markovian effects after the atomic excited energy decays to zero. For the initial state | g g> A B |11> a b , the two atoms can also be populated to the excited states from the initial ground states by using atom-cavity couplings and non-Markovian effects. And the stronger the atom-cavity coupling or the non-Markovian effect is, the larger the number of repopulation of excited atoms is. Particularly, when the atom-cavity coupling or the non-Markovian effect is very strong, the number of repopulation of excited atoms can be close to one in a short time and will tend to a steady value in a long time.

Using Bayesian Nonparametric Hidden Semi-Markov Models to Disentangle Affect Processes during Marital Interaction

PubMed Central

Griffin, William A.; Li, Xun

2016-01-01

Sequential affect dynamics generated during the interaction of intimate dyads, such as married couples, are associated with a cascade of effects—some good and some bad—on each partner, close family members, and other social contacts. Although the effects are well documented, the probabilistic structures associated with micro-social processes connected to the varied outcomes remain enigmatic. Using extant data we developed a method of classifying and subsequently generating couple dynamics using a Hierarchical Dirichlet Process Hidden semi-Markov Model (HDP-HSMM). Our findings indicate that several key aspects of existing models of marital interaction are inadequate: affect state emissions and their durations, along with the expected variability differences between distressed and nondistressed couples are present but highly nuanced; and most surprisingly, heterogeneity among highly satisfied couples necessitate that they be divided into subgroups. We review how this unsupervised learning technique generates plausible dyadic sequences that are sensitive to relationship quality and provide a natural mechanism for computational models of behavioral and affective micro-social processes. PMID:27187319

CFD modeling of particle dispersion and deposition coupled with particle dynamical models in a ventilated room

NASA Astrophysics Data System (ADS)

Xu, Guangping; Wang, Jiasong

2017-10-01

Two dynamical models, the traditional method of moments coupled model (MCM) and Taylor-series expansion method of moments coupled model (TECM) for particle dispersion distribution and gravitation deposition are developed in three-dimensional ventilated environments. The turbulent airflow field is modeled with the renormalization group (RNG) k-ε turbulence model. The particle number concentration distribution in a ventilated room is obtained by solving the population balance equation coupled with the airflow field. The coupled dynamical models are validated using experimental data. A good agreement between the numerical and experimental results can be achieved. Both models have a similar characteristic for the spatial distribution of particle concentration. Relative to the MCM model, the TECM model presents a more close result to the experimental data. The vortex structure existed in the air flow makes a relative large concentration difference at the center region and results in a spatial non-uniformity of concentration field. With larger inlet velocity, the mixing level of particles in the room is more uniform. In general, the new dynamical models coupled with computational fluid dynamics (CFD) in the current study provide a reasonable and accurate method for the temporal and spatial evolution of particles effected by the deposition and dispersion behaviors. In addition, two ventilation modes with different inlet velocities are proceeded to study the effect on the particle evolution. The results show that with the ceiling ventilation mode (CVM), the particles can be better mixed and the concentration level is also higher. On the contrast, with the side ceiling ventilation mode (SVM), the particle concentration has an obvious stratified distribution with a relative lower level and it makes a much better environment condition to the human exposure.

Towards a multiconfigurational method of increments

NASA Astrophysics Data System (ADS)

Fertitta, E.; Koch, D.; Paulus, B.; Barcza, G.; Legeza, Ö.

2018-06-01

The method of increments (MoI) allows one to successfully calculate cohesive energies of bulk materials with high accuracy, but it encounters difficulties when calculating dissociation curves. The reason is that its standard formalism is based on a single Hartree-Fock (HF) configuration whose orbitals are localised and used for the many-body expansion. In situations where HF does not allow a size-consistent description of the dissociation, the MoI cannot be guaranteed to yield proper results either. Herein, we address the problem by employing a size-consistent multiconfigurational reference for the MoI formalism. This leads to a matrix equation where a coupling derived by the reference itself is employed. In principle, such an approach allows one to evaluate approximate values for the ground as well as excited states energies. While the latter are accurate close to the avoided crossing only, the ground state results are very promising for the whole dissociation curve, as shown by the comparison with density matrix renormalisation group benchmarks. We tested this two-state constant-coupling MoI on beryllium rings of different sizes and studied the error introduced by the constant coupling.

Electrochemical sensing of total antioxidant capacity and polyphenol content in wine samples using amperometry online-coupled with microdialysis.

PubMed

Jakubec, Petr; Bancirova, Martina; Halouzka, Vladimir; Lojek, Antonin; Ciz, Milan; Denev, Petko; Cibicek, Norbert; Vacek, Jan; Vostalova, Jitka; Ulrichova, Jitka; Hrbac, Jan

2012-08-15

This work describes the method for total antioxidant capacity (TAC) and/or total content of phenolics (TCP) analysis in wines using microdialysis online-coupled with amperometric detection using a carbon microfiber working electrode. The system was tested on 10 selected wine samples, and the results were compared with total reactive antioxidant potential (TRAP), oxygen radical absorbance capacity (ORAC), and chemiluminescent determination of total antioxidant capacity (CL-TAC) methods using Trolox and catechin as standards. Microdialysis online-coupled with amperometric detection gives similar results to the widely used cyclic voltammetry methodology and closely correlates with ORAC and TRAP. The problem of electrode fouling is overcome by the introduction of an electrochemical cleaning step (1-2 min at the potential of 0 V vs Ag/AgCl). Such a procedure is sufficient to fully regenerate the electrode response for both red and white wine samples as well as catechin/Trolox standards. The appropriate size of microdialysis probes enables easy automation of the electrochemical TAC/TCP measurement using 96-well microtitration plates.

How coupling affects closely packed rectenna arrays used for wireless power transmission

NASA Astrophysics Data System (ADS)

Walls, Deidra; Choi, Sang H.; Yoon, Hargsoon; Geddis, Demetris; Song, Kyo D.

2017-04-01

The development of power transmission by microwave beam power harvesting attracts manufactures for use of wireless power transmission. Optimizing maximum conversion efficiency is affected by many design parameters, and has been mainly focused previously. Combining several rectennas in one array potentially aides in the amount of microwave energy that can be harvested for energy conversion. Closely packed rectenna arrays is the result of the demand to minimize size and weight for flexibility. This paper specifically focuses on the coupling effects on power; mutual coupling, comparing sparameters and gain total while varying effective parameters. This paper investigates how coupling between each dipole positively and negatively affects the microwave energy, harvesting, and the design limitations.

Quenching of Excited Na due to He Collisions

NASA Technical Reports Server (NTRS)

Lin, C. Y.; Stancil, P. C.; Liebermann, H. P.; Funke, P.; Buenker, R. J.

2006-01-01

The quenching and elastic scattering of excited Sodium by collisions with Helium have been investigated for energies between 10(exp -13) eV and 10 eV. With the ab initio adiabatic potentials and nonadiabatic radial and rotational couplings obtained from multireference single- and double-excitation configuration interaction approach, we carried out scattering calculations by the quantum-mechanical molecular-orbital close-coupling method. Cross sections for quenching reactions and elastic collisions are presented. Quenching and elastic collisional rate coefficients as a function of temperature between 1 micro-K and 10,000 K are also obtained. The results are relevant to modeling non-LTE effects on Na D absorption lines in extrasolar planets and brown dwarfs.

Evidence for phononic pairing in extremely overdoped ``pure'' d-wave superconductor Bi2212

NASA Astrophysics Data System (ADS)

He, Yu; Hishimoto, Makoto; Song, Dongjoon; Eisaki, Hiroshi; Shen, Zhi-Xun

2015-03-01

Recent advancement in High Tc cuprate superconductor research has elucidated strong interaction between superconductivity and competing orders. Therefore, the mechanism behind the 'pure' d-wave superconducting behavior becomes the next stepping stone to further the understanding. We have performed photoemission study on extremely overdoped Bi2212 single crystal synthesized via high pressure method. In this regime, we demonstrate the much reduced superconducting gap and the absence of pseudogap. Clear gap shifted bosonic mode coupling is observed throughout the entire Brillouin zone. Via full Eliashberg treatment, we find the electron-phonon coupling strength capable of producing a transition temperature very close to Tc. This strongly implies bosonic contribution to cuprate superconductivity's pairing glue.

Vortex circulation and polarity patterns in closely packed cap arrays

DOE PAGES

Streubel, Robert; Kronast, Florian; Reiche, Christopher F.; ...

2016-01-25

For this work, we studied curvature-driven modifications to the magnetostatic coupling of vortex circulation and polarity in soft-magnetic closely packed cap arrays. A phase diagram for the magnetic remanent/transition states at room temperature as a function of diameter and thickness was assembled. For specimens with vortex remanent state (40 nm-thick Permalloy on 330 nm spherical nanoparticles), both vortex circulation and polarity were visualized. Intercap coupling upon vortex nucleation leads to the formation of vortex circulation patterns in closely packed arrays. The remanent circulation pattern can be tailored choosing the direction of the applied magnetic field with respect to the symmetrymore » axis of the hexagonal array. An even and random distribution of vortex polarity indicates the absence of any circulation-polarity coupling.« less

Mechanical interface having multiple grounded actuators

DOEpatents

Martin, Kenneth M.; Levin, Mike D.; Rosenberg, Louis B.

1998-01-01

An apparatus and method for interfacing the motion of a user-manipulable object with a computer system includes a user object physically contacted or grasped by a user. A 3-D spatial mechanism is coupled to the user object, such as a stylus or a medical instrument, and provides three degrees of freedom to the user object. Three grounded actuators provide forces in the three degrees of freedom. Two of the degrees of freedom are a planar workspace provided by a closed-loop linkage of members, and the third degree of freedom is rotation of the planar workspace provided by a rotatable carriage. Capstan drive mechanisms transmit forces between actuators and the user object and include drums coupled to the carriage, pulleys coupled to grounded actuators, and flexible cables transmitting force between the pulleys and the drums. The flexibility of the cable allows the drums to rotate with the carriage while the pulleys and actuators remain fixed to ground. The interface also may include a floating gimbal mechanism coupling the linkage to the user object. The floating gimbal mechanism includes rotatably coupled gimbal members that provide three degrees of freedom to the user object and capstan mechanisms coupled between sensors and the gimbal members for providing enhanced sensor resolution.

Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals

NASA Astrophysics Data System (ADS)

Liu, Junzi; Shen, Yue; Asthana, Ayush; Cheng, Lan

2018-01-01

A novel implementation of the two-component spin-orbit (SO) coupled-cluster singles and doubles (CCSD) method and the CCSD augmented with the perturbative inclusion of triple excitations [CCSD(T)] method using mean-field SO integrals is reported. The new formulation of SO-CCSD(T) features an atomic-orbital-based algorithm for the particle-particle ladder term in the CCSD equation, which not only removes the computational bottleneck associated with the large molecular-orbital integral file but also accelerates the evaluation of the particle-particle ladder term by around a factor of 4 by taking advantage of the spin-free nature of the instantaneous electron-electron Coulomb interaction. Benchmark calculations of the SO splittings for the thallium atom and a set of diatomic 2Π radicals as well as of the bond lengths and harmonic frequencies for a set of closed-shell diatomic molecules are presented. The basis-set and core-correlation effects in the calculations of these properties have been carefully analyzed.

Magnetic exchange in {Gd(III)-radical} complexes: method assessment, mechanism of coupling and magneto-structural correlations.

PubMed

Gupta, Tulika; Rajeshkumar, Thayalan; Rajaraman, Gopalan

2014-07-28

Density functional studies have been performed on ten different {Gd(III)-radical} complexes exhibiting both ferro and antiferromagnetic exchange interaction with an aim to assess a suitable exchange-correlation functional within DFT formalism. This study has also been extended to probe the mechanism of magnetic coupling and to develop suitable magneto-structural correlations for this pair. Our method assessments reveal the following order of increasing accuracy for the evaluation of J values compared to experimental coupling constants: B(40HF)LYP < BHandHLYP < TPSSH < PW91 < PBE < BP86 < OLYP < BLYP < PBE0 < X3LYP < B3LYP < B2PLYP. Grimme's double-hybrid functional is found to be superior compared to other functionals tested and this is followed very closely by the conventional hybrid B3LYP functional. At the basis set front, our calculations reveal that the incorporation of relativistic effect is important in these calculations and the relativistically corrected effective core potential (ECP) basis set is found to yield better Js compared to other methods. The supposedly empty 5d/6s/6p orbitals of Gd(III) are found to play an important role in the mechanism of magnetic coupling and different contributions to the exchange terms are probed using Molecular Orbital (MO) and Natural Bond Orbital (NBO) analysis. Magneto-structural correlations for Gd-O distances, Gd-O-N angles and Gd-O-N-C dihedral angles are developed where the bond angles as well as dihedral angle parameters are found to dictate the sign and strength of the magnetic coupling in this series.

Fast computation of close-coupling exchange integrals using polynomials in a tree representation

NASA Astrophysics Data System (ADS)

Wallerberger, Markus; Igenbergs, Katharina; Schweinzer, Josef; Aumayr, Friedrich

2011-03-01

The semi-classical atomic-orbital close-coupling method is a well-known approach for the calculation of cross sections in ion-atom collisions. It strongly relies on the fast and stable computation of exchange integrals. We present an upgrade to earlier implementations of the Fourier-transform method. For this purpose, we implement an extensive library for symbolic storage of polynomials, relying on sophisticated tree structures to allow fast manipulation and numerically stable evaluation. Using this library, we considerably speed up creation and computation of exchange integrals. This enables us to compute cross sections for more complex collision systems. Program summaryProgram title: TXINT Catalogue identifier: AEHS_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHS_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 12 332 No. of bytes in distributed program, including test data, etc.: 157 086 Distribution format: tar.gz Programming language: Fortran 95 Computer: All with a Fortran 95 compiler Operating system: All with a Fortran 95 compiler RAM: Depends heavily on input, usually less than 100 MiB Classification: 16.10 Nature of problem: Analytical calculation of one- and two-center exchange matrix elements for the close-coupling method in the impact parameter model. Solution method: Similar to the code of Hansen and Dubois [1], we use the Fourier-transform method suggested by Shakeshaft [2] to compute the integrals. However, we heavily speed up the calculation using a library for symbolic manipulation of polynomials. Restrictions: We restrict ourselves to a defined collision system in the impact parameter model. Unusual features: A library for symbolic manipulation of polynomials, where polynomials are stored in a space-saving left-child right-sibling binary tree. This provides stable numerical evaluation and fast mutation while maintaining full compatibility with the original code. Additional comments: This program makes heavy use of the new features provided by the Fortran 90 standard, most prominently pointers, derived types and allocatable structures and a small portion of Fortran 95. Only newer compilers support these features. Following compilers support all features needed by the program. GNU Fortran Compiler "gfortran" from version 4.3.0 GNU Fortran 95 Compiler "g95" from version 4.2.0 Intel Fortran Compiler "ifort" from version 11.0

Mechanical coupling in myosin V: a simulation study

PubMed Central

Ovchinnikov, Victor; Trout, Bernhardt L.

2009-01-01

Myosin motor function depends on the interaction between different domains that transmit information from one part of the molecule to another. The inter-domain coupling in myosin V is studied with Restrained Targeted Molecular Dynamics (RTMD) using an all-atom representation in explicit solvent. To elucidate the origin of the conformational change due to the binding of ATP, targeting forces are applied to small sets of atoms (the forcing sets, FS) in the direction of their displacement from the rigor conformation, which has a closed actin-binding cleft, to the post-rigor conformation, in which the cleft is open. The ‘minimal’ FS that results in extensive structural changes in the overall myosin conformation is comprised of the ATP, Switch 1, and the nearby HF, HG and HH helices. Addition of switch 2 to the forcing set is required to achieve a complete opening of the actin-binding cleft. The RTMD simulations reveal the mechanical coupling pathways between (i) the nucleotide-binding pocket (NBP) and the actin-binding cleft, (ii) the NBP and the converter, and (iii) the actin-binding cleft and the converter. Closing of the NBP due to ATP binding is tightly coupled to the opening of the cleft, and leads to the rupture of a key hydrogen bond (F441N/A684O) between switch 2 and the SH1 helix. The actin-binding cleft may mediate the rupture of this bond via a connection between the HW helix, the Relay helix, and Switch 2. The findings are consistent with experimental studies and a recent normal mode analysis. The present method is expected to be useful more generally in studies of inter-domain coupling in proteins. PMID:19853615

Mechanical coupling in myosin V: a simulation study.

PubMed

Ovchinnikov, Victor; Trout, Bernhardt L; Karplus, Martin

2010-01-29

Myosin motor function depends on the interaction between different domains that transmit information from one part of the molecule to another. The interdomain coupling in myosin V is studied with restrained targeted molecular dynamics using an all-atom representation in explicit solvent. To elucidate the origin of the conformational change due to the binding of ATP, targeting forces are applied to small sets of atoms (the forcing sets, FSs) in the direction of their displacement from the rigor conformation, which has a closed actin-binding cleft, to the post-rigor conformation, in which the cleft is open. The "minimal" FS that results in extensive structural changes in the overall myosin conformation is composed of ATP, switch 1, and the nearby HF, HG, and HH helices. Addition of switch 2 to the FS is required to achieve a complete opening of the actin-binding cleft. The restrained targeted molecular dynamics simulations reveal the mechanical coupling pathways between (i) the nucleotide-binding pocket (NBP) and the actin-binding cleft, (ii) the NBP and the converter, and (iii) the actin-binding cleft and the converter. Closing of the NBP due to ATP binding is tightly coupled to the opening of the cleft and leads to the rupture of a key hydrogen bond (F441N/A684O) between switch 2 and the SH1 helix. The actin-binding cleft may mediate the rupture of this bond via a connection between the HW helix, the relay helix, and switch 2. The findings are consistent with experimental studies and a recent normal mode analysis. The present method is expected to be useful more generally in studies of interdomain coupling in proteins.

RHCV Telescope System Operations Manual

DTIC Science & Technology

2018-01-05

hardware and software components. Several of the components are closely coupled and rely on one-another, while others are largely independent. This...of hardware and software components. Several of the components are closely coupled and rely on one-another, while others are largely independent. This...attendant training The use cases are briefly described in separate sections, and step-by-step instructions are presented. Each section begins on a new

Unsteady Aerodynamic Interaction in a Closely Coupled Turbine Consistent with Contra-Rotation

DTIC Science & Technology

2014-08-01

data on the blade required three instrumentation patches due to slip ring channel limitations. TRF blowdowns designated as experiments 280100...measurements from sensors on the rotating hardware due to slip ring limitations. The experimental data was compared to time-accurate simulations modeling...AFRL-RQ-WP-TR-2014-0195 UNSTEADY AERODYNAMIC INTERACTION IN A CLOSELY COUPLED TURBINE CONSISTENT WITH CONTRA-ROTATION Michael Kenneth

Time evolution of two holes in t - J chains with anisotropic couplings

NASA Astrophysics Data System (ADS)

Manmana, Salvatore R.; Thyen, Holger; Köhler, Thomas; Kramer, Stephan C.

Using time-dependent Matrix Product State (MPS) methods we study the real-time evolution of hole-excitations in t-J chains close to filling n = 1 . The dynamics in 'standard' t - J chains with SU(2) invariant spin couplings is compared to the one when introducing anisotropic, XXZ-type spin interactions as realizable, e.g., by ultracold polar molecules on optical lattices. The simulations are performed with MPS implementations based on the usual singular value decompositions (SVD) as well as ones using the adaptive cross approximation (ACA) instead. The ACA can be seen as an iterative approach to SVD which is often used, e.g., in the context of finite-element-methods, leading to a substantial speedup. A comparison of the performance of both algorithms in the MPS context is discussed. Financial support via DFG through CRC 1073 (''Atomic scale control of energy conversion''), project B03 is gratefully acknowledged.

Recombinant G protein-coupled receptor expression in Saccharomyces cerevisiae for protein characterization.

PubMed

Blocker, Kory M; Britton, Zachary T; Naranjo, Andrea N; McNeely, Patrick M; Young, Carissa L; Robinson, Anne S

2015-01-01

G protein-coupled receptors (GPCRs) are membrane proteins that mediate signaling across the cellular membrane and facilitate cellular responses to external stimuli. Due to the critical role that GPCRs play in signal transduction, therapeutics have been developed to influence GPCR function without an extensive understanding of the receptors themselves. Closing this knowledge gap is of paramount importance to improving therapeutic efficacy and specificity, where efforts to achieve this end have focused chiefly on improving our knowledge of the structure-function relationship. The purpose of this chapter is to review methods for the heterologous expression of GPCRs in Saccharomyces cerevisiae, including whole-cell assays that enable quantitation of expression, localization, and function in vivo. In addition, we describe methods for the micellular solubilization of the human adenosine A2a receptor and for reconstitution of the receptor in liposomes that have enabled its biophysical characterization. © 2015 Elsevier Inc. All rights reserved.

Kinematics and dynamics of a six-degree-of-freedom robot manipulator with closed kinematic chain mechanism

NASA Technical Reports Server (NTRS)

Nguyen, Charles C.; Pooran, Farhad J.

1989-01-01

This paper deals with a class of robot manipulators built based on the kinematic chain mechanism (CKCM). This class of CKCM manipulators consists of a fixed and a moving platform coupled together via a number of in-parallel actuators. A closed-form solution is derived for the inverse kinematic problem of a six-degre-of-freedom CKCM manipulator designed to study robotic applications in space. Iterative Newton-Raphson method is employed to solve the forward kinematic problem. Dynamics of the above manipulator is derived using the Lagrangian approach. Computer simulation of the dynamical equations shows that the actuating forces are strongly dependent on the mass and centroid of the robot links.

Closed strings and moduli in AdS3/CFT2

NASA Astrophysics Data System (ADS)

Sax, Olof Ohlsson; Stefański, Bogdan

2018-05-01

String theory on AdS3 × S3 × T4 has 20 moduli. We investigate how the perturbative closed string spectrum changes as we move around this moduli space in both the RR and NSNS flux backgrounds. We find that, at weak string coupling, only four of the moduli affect the energies. In the RR background the only effect of these moduli is to change the radius of curvature of the background. On the other hand, in the NSNS background, the moduli introduce worldsheet interactions which enable the use of integrability methods to solve the spectral problem. Our results show that the worldsheet theory is integrable across the 20 dimensional moduli space.

Development of a sparging technique for volatile emissions from potato (Solanum tuberosum)

NASA Technical Reports Server (NTRS)

Berdis, Elizabeth; Peterson, Barbara Vieux; Yorio, Neil C.; Batten, Jennifer; Wheeler, Raymond M.

1993-01-01

Accumulation of volatile emissions from plants grown in tightly closed growth chambers may have allelopathic or phytotoxic properties. Whole air analysis of a closed chamber includes both biotic and abiotic volatile emissions. A method for characterization and quantification of biogenic emissions solely from plantlets was developed to investigate this complex mixture of volatile organic compounds. Volatile organic compounds from potato (Solanum tuberosum L. cv. Norland) were isolated, separated and identified using an in-line configuration consisting of a purge and trap concentrator with sparging vessels coupled to a GC/MS system. Analyses identified plant volatile compounds: transcaryophyllene, alpha-humulene, thiobismethane, hexanal, cis-3-hexen-1-ol, and cis-3-hexenyl acetate.

Resonance coupling in plasmonic nanomatryoshka homo- and heterodimers

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

Ahmadivand, Arash, E-mail: aahma011@fiu.edu; Sinha, Raju; Pala, Nezih

Here, we examine the electromagnetic (EM) energy coupling and hybridization of plasmon resonances between closely spaced concentric nanoshells known as “nanomatryoshka” (NM) units in symmetric and antisymmetric compositions using the Finite Difference Time Domain (FDTD) analysis. Utilizing plasmon hybridization model, we calculated the energy level diagrams and verified that, in the symmetric dimer (in-phase mode in a homodimer), plasmonic bonding modes are dominant and tunable within the considered bandwidth. In contrast, in the antisymmetric dimer (out-of-phase mode in a heterodimer), due to the lack of the geometrical symmetry, new antibonding modes appear in the extinction profile, and this condition givesmore » rise to repeal of dipolar field coupling. We also studied the extinction spectra and positions of the antibonding and bonding modes excited due to the energy coupling between silver and gold NM units in a heterodimer structure. Our analysis suggest abnormal shifts in the higher energy modes. We propose a method to analyze the behavior of multilayer concentric nanoshell particles in an antisymmetric orientation employing full dielectric function calculations and the Drude model based on interband transitions in metallic components. This study provides a method to predict the behavior of the higher energy plasmon resonant modes in entirely antisymmetric structures such as compositional heterodimers.« less

Demonstration of close-coupled barriers for subsurface containment of buried waste

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

Dwyer, B.P.

1996-05-01

A close-coupled barrier is produced by first installing a conventional cement grout curtain followed by a thin inner lining of a polymer grout. The resultant barrier is a cement polymer composite that has economic benefits derived from the cement and performance benefits from the durable and resistant polymer layer. Close-coupled barrier technology is applicable for final, interim, or emergency containment of subsurface waste forms. Consequently, when considering the diversity of technology application, the construction emplacement and material technology maturity, general site operational requirements, and regulatory compliance incentives, the close-coupled barrier system provides an alternative for any hazardous or mixed wastemore » remediation plan. This paper discusses the installation of a close-coupled barrier and the subsequent integrity verification. The demonstration was installed at a benign site at the Hanford Geotechnical Test Facility, 400 Area, Hanford, Washington. The composite barrier was emplaced beneath a 7,500 liter tank. The tank was chosen to simulate a typical DOE Complex waste form. The stresses induced on the waste form were evaluated during barrier construction. The barrier was constructed using conventional jet grouting techniques. Drilling was completed at a 45{degree} angle to the ground, forming a conical shaped barrier with the waste form inside the cone. Two overlapping rows of cylindrical cement columns were grouted in a honeycomb fashion to form the secondary backdrop barrier layer. The primary barrier, a high molecular weight polymer manufactured by 3M Company, was then installed providing a relatively thin inner liner for the secondary barrier. The primary barrier was emplaced by panel jet grouting with a dual wall drill stem, two phase jet grouting system.« less

Evanescent wave coupling in terahertz waveguide arrays.

PubMed

Reichel, K S; Sakoda, N; Mendis, R; Mittleman, D M

2013-07-15

We study energy transfer among an array of identical finite-width parallel-plate waveguides in close proximity, via evanescent wave coupling of broadband terahertz waves. We observe stronger coupling with larger plate separations and longer propagation paths. This work establishes a platform to investigate new opportunities for THz components and devices based on evanescent wave coupling.

Trend extraction using empirical mode decomposition and statistical empirical mode decomposition: Case study: Kuala Lumpur stock market

NASA Astrophysics Data System (ADS)

Jaber, Abobaker M.

2014-12-01

Two nonparametric methods for prediction and modeling of financial time series signals are proposed. The proposed techniques are designed to handle non-stationary and non-linearity behave and to extract meaningful signals for reliable prediction. Due to Fourier Transform (FT), the methods select significant decomposed signals that will be employed for signal prediction. The proposed techniques developed by coupling Holt-winter method with Empirical Mode Decomposition (EMD) and it is Extending the scope of empirical mode decomposition by smoothing (SEMD). To show performance of proposed techniques, we analyze daily closed price of Kuala Lumpur stock market index.

Eshelby problem of polygonal inclusions in anisotropic piezoelectric full- and half-planes

NASA Astrophysics Data System (ADS)

Pan, E.

2004-03-01

This paper presents an exact closed-form solution for the Eshelby problem of polygonal inclusion in anisotropic piezoelectric full- and half-planes. Based on the equivalent body-force concept of eigenstrain, the induced elastic and piezoelectric fields are first expressed in terms of line integral on the boundary of the inclusion with the integrand being the Green's function. Using the recently derived exact closed-form line-source Green's function, the line integral is then carried out analytically, with the final expression involving only elementary functions. The exact closed-form solution is applied to a square-shaped quantum wire within semiconductor GaAs full- and half-planes, with results clearly showing the importance of material orientation and piezoelectric coupling. While the elastic and piezoelectric fields within the square-shaped quantum wire could serve as benchmarks to other numerical methods, the exact closed-form solution should be useful to the analysis of nanoscale quantum-wire structures where large strain and electric fields could be induced by the misfit strain.

Analysis of induced electrical currents from magnetic field coupling inside implantable neurostimulator leads

PubMed Central

2011-01-01

Background Over the last decade, the number of neurostimulator systems implanted in patients has been rapidly growing. Nearly 50, 000 neurostimulators are implanted worldwide annually. The most common type of implantable neurostimulators is indicated for pain relief. At the same time, commercial use of other electromagnetic technologies is expanding, making electromagnetic interference (EMI) of neurostimulator function an issue of concern. Typically reported sources of neurostimulator EMI include security systems, metal detectors and wireless equipment. When near such sources, patients with implanted neurostimulators have reported adverse events such as shock, pain, and increased stimulation. In recent in vitro studies, radio frequency identification (RFID) technology has been shown to inhibit the stimulation pulse of an implantable neurostimulator system during low frequency exposure at close distances. This could potentially be due to induced electrical currents inside the implantable neurostimulator leads that are caused by magnetic field coupling from the low frequency identification system. Methods To systematically address the concerns posed by EMI, we developed a test platform to assess the interference from coupled magnetic fields on implantable neurostimulator systems. To measure interference, we recorded the output of one implantable neurostimulator, programmed for best therapy threshold settings, when in close proximity to an operating low frequency RFID emitter. The output contained electrical potentials from the neurostimulator system and those induced by EMI from the RFID emitter. We also recorded the output of the same neurostimulator system programmed for best therapy threshold settings without RFID interference. Using the Spatially Extended Nonlinear Node (SENN) model, we compared threshold factors of spinal cord fiber excitation for both recorded outputs. Results The electric current induced by low frequency RFID emitter was not significant to have a noticeable effect on electrical stimulation. Conclusions We demonstrated a method for analyzing effects of coupled magnetic field interference on implantable neurostimulator system and its electrodes which could be used by device manufacturers during the design and testing phases of the development process. PMID:22014169

Atomizing nozzle and method

DOEpatents

Ting, Jason; Anderson, Iver E.; Terpstra, Robert L.

2000-03-16

A high pressure close-coupled gas atomizing nozzle includes multiple discrete gas jet discharge orifices having aerodynamically designed convergent-divergent geometry with an first converging section communicated to a gas supply manifold and to a diverging section by a constricted throat section to increase atomizing gas velocity. The gas jet orifices are oriented at gas jet apex angle selected relative to the melt supply tip apex angle to establish a melt aspiration condition at the melt supply tip.

Algorithm for Surface of Translation Attached Radiators (A-STAR). Volume 2. Users manual

NASA Astrophysics Data System (ADS)

Medgyesimitschang, L. N.; Putnam, J. M.

1982-05-01

A hierarchy of computer programs implementing the method of moments for bodies of translation (MM/BOT) is described. The algorithm treats the far-field radiation from off-surface and aperture antennas on finite-length open or closed bodies of arbitrary cross section. The near fields and antenna coupling on such bodies are computed. The theoretical development underlying the algorithm is described in Volume 1 of this report.

Formal and heuristic system decomposition methods in multidisciplinary synthesis. Ph.D. Thesis, 1991

NASA Technical Reports Server (NTRS)

Bloebaum, Christina L.

1991-01-01

The multidisciplinary interactions which exist in large scale engineering design problems provide a unique set of difficulties. These difficulties are associated primarily with unwieldy numbers of design variables and constraints, and with the interdependencies of the discipline analysis modules. Such obstacles require design techniques which account for the inherent disciplinary couplings in the analyses and optimizations. The objective of this work was to develop an efficient holistic design synthesis methodology that takes advantage of the synergistic nature of integrated design. A general decomposition approach for optimization of large engineering systems is presented. The method is particularly applicable for multidisciplinary design problems which are characterized by closely coupled interactions among discipline analyses. The advantage of subsystem modularity allows for implementation of specialized methods for analysis and optimization, computational efficiency, and the ability to incorporate human intervention and decision making in the form of an expert systems capability. The resulting approach is not a method applicable to only a specific situation, but rather, a methodology which can be used for a large class of engineering design problems in which the system is non-hierarchic in nature.

Modeling coupled aerodynamics and vocal fold dynamics using immersed boundary methods.

PubMed

Duncan, Comer; Zhai, Guangnian; Scherer, Ronald

2006-11-01

The penalty immersed boundary (PIB) method, originally introduced by Peskin (1972) to model the function of the mammalian heart, is tested as a fluid-structure interaction model of the closely coupled dynamics of the vocal folds and aerodynamics in phonation. Two-dimensional vocal folds are simulated with material properties chosen to result in self-oscillation and volume flows in physiological frequency ranges. Properties of the glottal flow field, including vorticity, are studied in conjunction with the dynamic vocal fold motion. The results of using the PIB method to model self-oscillating vocal folds for the case of 8 cm H20 as the transglottal pressure gradient are described. The volume flow at 8 cm H20, the transglottal pressure, and vortex dynamics associated with the self-oscillating model are shown. Volume flow is also given for 2, 4, and 12 cm H2O, illustrating the robustness of the model to a range of transglottal pressures. The results indicate that the PIB method applied to modeling phonation has good potential for the study of the interdependence of aerodynamics and vocal fold motion.

Preparation of hair for measurement of elements by inductively coupled plasma-mass spectrometry (ICP-MS).

PubMed

Puchyr, R F; Bass, D A; Gajewski, R; Calvin, M; Marquardt, W; Urek, K; Druyan, M E; Quig, D

1998-06-01

The preparation of hair for the determination of elements is a critical component of the analysis procedure. Open-beaker, closed-vessel microwave, and flowthrough microwave digestion are methods that have been used for sample preparation and are discussed. A new digestion method for use with inductively coupled plasma-mass spectrometry (ICP-MS) has been developed. The method uses 0.2 g of hair and 3 mL of concentrated nitric acid in an atmospheric pressure-low-temperature microwave digestion (APLTMD) system. This preparation method is useful in handling a large numbers of samples per day and may be adapted to hair sample weights ranging from 0.08 to 0.3 g. After digestion, samples are analyzed by ICP-MS to determine the concentration of Li, Be, B, Na, Mg, Al, P, S, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ge, As, Se, Rb, Sr, Zr, Mo, Pd, Ag, Cd, Sn, Sb, I, Cs, Ba, Pt, Au, Hg, Tl, Pb, Bi, Th, and U. Benefits of the APLTMD include reduced contamination and sample handling, and increased precision, reliability, and sample throughput.

Uniform and nonuniform V-shaped planar arrays for 2-D direction-of-arrival estimation

NASA Astrophysics Data System (ADS)

Filik, T.; Tuncer, T. E.

2009-10-01

In this paper, isotropic and directional uniform and nonuniform V-shaped arrays are considered for azimuth and elevation direction-of-arrival (DOA) angle estimation simultaneously. It is shown that the uniform isotropic V-shaped arrays (UI V arrays) have no angle coupling between the azimuth and elevation DOA. The design of the UI V arrays is investigated, and closed form expressions are presented for the parameters of the UI V arrays and nonuniform V arrays. These expressions allow one to find the isotropic V angle for different array types. The DOA performance of the UI V array is compared with the uniform circular array (UCA) for correlated signals and in case of mutual coupling between array elements. The modeling error for the sensor positions is also investigated. It is shown that V array and circular array have similar robustness for the position errors while the performance of UI V array is better than the UCA for correlated source signals and when there is mutual coupling. Nonuniform V-shaped isotropic arrays are investigated which allow good DOA performance with limited number of sensors. Furthermore, a new design method for the directional V-shaped arrays is proposed. This method is based on the Cramer-Rao Bound for joint estimation where the angle coupling effect between the azimuth and elevation DOA angles is taken into account. The design method finds an optimum angle between the linear subarrays of the V array. The proposed method can be used to obtain directional arrays with significantly better DOA performance.

Effect of twist and camber on the low-speed aerodynamic characteristics of a powered close-coupled wing-canard configuration

NASA Technical Reports Server (NTRS)

Paulson, J. W., Jr.; Thomas, J. L.

1978-01-01

A series of wind-tunnel tests were conducted in a V/STOL tunnel to determine the low-speed longitudinal aerodynamic characteristics of a powered close-coupled wing/canard fighter configuration. The data was obtained for a high angle-of-attack maneuvering configuration and a takeoff and landing configuration. The data presented in tabulated form are intended for reference purposes.

Attitude dynamics and control of spacecraft with a partially filled liquid tank and flexible panels

NASA Astrophysics Data System (ADS)

Liu, Feng; Yue, Baozeng; Zhao, Liangyu

2018-02-01

A liquid-filled flexible spacecraft is essentially a time-variant fully-coupled system, whose dynamics characteristics are closely associated with its motion features. This paper focuses on the mathematical modelling and attitude control of the spacecraft coupled with fuel sloshing dynamics and flexible solar panels vibration. The slosh motion is represented by a spherical pendulum, whose motion description method is improved by using split variable operation. Benefiting from this improvement, the nonlinear lateral sloshing and the rotary sloshing as well as the rigid motion of a liquid respect to the spacecraft can be approximately described. The assumed modes discretization method has been adopted to approximate the elastic displacements of the attached panels, and the coupled dynamics is derived by using the Lagrangian formulation. A variable substitution method is proposed to obtain the apparently-uncoupled mathematical model of the rigid-flexible-liquid spacecraft. After linearization, this model can be directly used for designing Lyapunov output-feedback attitude controller (OFAC). With only torque actuators, and attitude and rate sensors installed, this kind of attitude controller, as simulation results show, is capable of not only bringing the spacecraft to the desired orientation, but also suppressing the effect of flex and slosh on the attitude motion of the spacecraft.

A Meta-Surface Antenna Array Decoupling (MAAD) Method for Mutual Coupling Reduction in a MIMO Antenna System.

PubMed

Wang, Ziyang; Zhao, Luyu; Cai, Yuanming; Zheng, Shufeng; Yin, Yingzeng

2018-02-16

In this paper, a method to reduce the inevitable mutual coupling between antennas in an extremely closely spaced two-element MIMO antenna array is proposed. A suspended meta-surface composed periodic square split ring resonators (SRRs) is placed above the antenna array for decoupling. The meta-surface is equivalent to a negative permeability medium, along which wave propagation is rejected. By properly designing the rejection frequency band of the SRR unit, the mutual coupling between the antenna elements in the MIMO antenna system can be significantly reduced. Two prototypes of microstrip antenna arrays at 5.8 GHz band with and without the metasurface have been fabricated and measured. The matching bandwidths of antennas with reflection coefficient smaller than -15 dB for the arrays without and with the metasurface are 360 MHz and 900 MHz respectively. Using the meta-surface, the isolation between elements is increased from around 8 dB to more than 27 dB within the band of interest. Meanwhile, the total efficiency and peak gain of each element, the envelope correlation coefficient (ECC) between the two elements are also improved by considerable amounts. All the results demonstrate that the proposed method is very efficient for enhancing the performance of MIMO antenna arrays.

Neural signal processing and closed-loop control algorithm design for an implanted neural recording and stimulation system.

PubMed

Hamilton, Lei; McConley, Marc; Angermueller, Kai; Goldberg, David; Corba, Massimiliano; Kim, Louis; Moran, James; Parks, Philip D; Sang Chin; Widge, Alik S; Dougherty, Darin D; Eskandar, Emad N

2015-08-01

A fully autonomous intracranial device is built to continually record neural activities in different parts of the brain, process these sampled signals, decode features that correlate to behaviors and neuropsychiatric states, and use these features to deliver brain stimulation in a closed-loop fashion. In this paper, we describe the sampling and stimulation aspects of such a device. We first describe the signal processing algorithms of two unsupervised spike sorting methods. Next, we describe the LFP time-frequency analysis and feature derivation from the two spike sorting methods. Spike sorting includes a novel approach to constructing a dictionary learning algorithm in a Compressed Sensing (CS) framework. We present a joint prediction scheme to determine the class of neural spikes in the dictionary learning framework; and, the second approach is a modified OSort algorithm which is implemented in a distributed system optimized for power efficiency. Furthermore, sorted spikes and time-frequency analysis of LFP signals can be used to generate derived features (including cross-frequency coupling, spike-field coupling). We then show how these derived features can be used in the design and development of novel decode and closed-loop control algorithms that are optimized to apply deep brain stimulation based on a patient's neuropsychiatric state. For the control algorithm, we define the state vector as representative of a patient's impulsivity, avoidance, inhibition, etc. Controller parameters are optimized to apply stimulation based on the state vector's current state as well as its historical values. The overall algorithm and software design for our implantable neural recording and stimulation system uses an innovative, adaptable, and reprogrammable architecture that enables advancement of the state-of-the-art in closed-loop neural control while also meeting the challenges of system power constraints and concurrent development with ongoing scientific research designed to define brain network connectivity and neural network dynamics that vary at the individual patient level and vary over time.

The Unidimensional Relationship Closeness Scale (URCS): Reliability and Validity Evidence for a New Measure of Relationship Closeness

ERIC Educational Resources Information Center

Dibble, Jayson L.; Levine, Timothy R.; Park, Hee Sun

2012-01-01

A fundamental dimension along which all social and personal relationships vary is closeness. The Unidimensional Relationship Closeness Scale (URCS) is a 12-item self-report scale measuring the closeness of social and personal relationships. The reliability and validity of the URCS were assessed with college dating couples (N = 192), female friends…

Effect of hydro mechanical coupling on natural fracture network formation in sedimentary basins

NASA Astrophysics Data System (ADS)

Ouraga, Zady; Guy, Nicolas; Pouya, Amade

2018-05-01

In sedimentary basin context, numerous phenomena, depending on the geological time span, can result in natural fracture network formation. In this paper, fracture network and dynamic fracture spacing triggered by significant sedimentation rate are studied considering mode I fracture propagation using a coupled hydro-mechanical numerical methods. The focus is put on synthetic geological structure under a constant sedimentation rate on its top. This model contains vertical fracture network initially closed and homogeneously distributed. The fractures are modelled with cohesive zone model undergoing damage and the flow is described by Poiseuille's law. The effect of the behaviour of the rock is studied and the analysis leads to a pattern of fracture network and fracture spacing in the geological layer.

Spectral response of fiber-coupled Fabry-Perot etalons.

PubMed

Ionov, Pavel

2014-03-01

In many remote sensing applications one or multiple Fabry-Perot etalons are used as high-spectral-resolution filter elements. These etalons are often coupled to a receiving telescope with a multimode fiber, leading to subtle effects of the fiber mode order on the overall spectral response of the system. A theoretical model is developed to treat the spectral response of the combined system: fiber, collimator, and etalon. The method is based on a closed-form expression of the diffracted mode in terms of a Hankel transform. In this representation, it is shown how the spectral effect of the fiber and collimator can be separated from the details of the etalon and can be viewed as a mode-dependent spectral broadening and shift.

Tunable spin-orbit coupling for ultracold atoms in two-dimensional optical lattices

NASA Astrophysics Data System (ADS)

Grusdt, Fabian; Li, Tracy; Bloch, Immanuel; Demler, Eugene

2017-06-01

Spin-orbit coupling (SOC) is at the heart of many exotic band structures and can give rise to many-body states with topological order. Here we present a general scheme based on a combination of microwave driving and lattice shaking for the realization of two-dimensional SOC with ultracold atoms in systems with inversion symmetry. We show that the strengths of Rashba and Dresselhaus SOC can be independently tuned in a spin-dependent square lattice. More generally, our method can be used to open gaps between different spin states without breaking time-reversal symmetry. We demonstrate that this allows for the realization of topological insulators with nontrivial spin textures closely related to the Kane-Mele model.

Discrete breathers for a discrete nonlinear Schrödinger ring coupled to a central site.

PubMed

Jason, Peter; Johansson, Magnus

2016-01-01

We examine the existence and properties of certain discrete breathers for a discrete nonlinear Schrödinger model where all but one site are placed in a ring and coupled to the additional central site. The discrete breathers we focus on are stationary solutions mainly localized on one or a few of the ring sites and possibly also the central site. By numerical methods, we trace out and study the continuous families the discrete breathers belong to. Our main result is the discovery of a split bifurcation at a critical value of the coupling between neighboring ring sites. Below this critical value, families form closed loops in a certain parameter space, implying that discrete breathers with and without central-site occupation belong to the same family. Above the split bifurcation the families split up into several separate ones, which bifurcate with solutions with constant ring amplitudes. For symmetry reasons, the families have different properties below the split bifurcation for even and odd numbers of sites. It is also determined under which conditions the discrete breathers are linearly stable. The dynamics of some simpler initial conditions that approximate the discrete breathers are also studied and the parameter regimes where the dynamics remain localized close to the initially excited ring site are related to the linear stability of the exact discrete breathers.

A Close-Coupled, Heavy Ion ICF Target

NASA Astrophysics Data System (ADS)

Callahan-Miller, Debra A.; Tabak, Max

1998-11-01

A ``close-coupled'' version of the distributed radiator, heavy ion ICF target has produced gain > 130 from 3.1 MJ of ion beam energy. To achieve these results, we reduced the hohlraum dimensions by 27% from our previous designs(M. Tabak, D. Callahan-Miller, D. D.-M. Ho, G. B. Zimmerman, Nuc. Fusion, 38, 509 (1998)) (M. Tabak, D. A. Callahan-Miller, Phys. Plasmas, 5, 1895 (1998).) while driving the same capsule. This reduced the beam energy required from 5.9-6.5 MJ to 3.1 MJ. The smaller hohlraum resulted in a smaller beam spot; elliptically shaped beams with effective radius 1.7 mm were used in this design. In addition to describing this target, we will discuss the effect of the close-coupled hohlraum on the Rayleigh-Taylor instability and scaling this design down to 1.5-2 MJ for an ETF (Engineering Test Facility).

An adaptive coupling strategy for joint inversions that use petrophysical information as constraints

NASA Astrophysics Data System (ADS)

Heincke, Björn; Jegen, Marion; Moorkamp, Max; Hobbs, Richard W.; Chen, Jin

2017-01-01

Joint inversion strategies for geophysical data have become increasingly popular as they allow for the efficient combination of complementary information from different data sets. The algorithm used for the joint inversion needs to be flexible in its description of the subsurface so as to be able to handle the diverse nature of the data. Hence, joint inversion schemes are needed that 1) adequately balance data from the different methods, 2) have stable convergence behavior, 3) consider the different resolution power of the methods used and 4) link the parameter models in a way that they are suited for a wide range of applications. Here, we combine active source seismic P-wave tomography, gravity and magnetotelluric (MT) data in a petrophysical joint inversion that accounts for these issues. Data from the different methods are inverted separately but are linked through constraints accounting for parameter relationships. An advantage of performing the inversions separately is that no relative weighting between the data sets is required. To avoid perturbing the convergence behavior of the inversions by the coupling, the strengths of the constraints are readjusted at each iteration. The criterion we use to control the adaption of the coupling strengths is based on variations in the objective functions of the individual inversions from one to the next iteration. Adaption of the coupling strengths makes the joint inversion scheme also applicable to subsurface conditions, where assumed relationships are not valid everywhere, because the individual inversions decouple if it is not possible to reach adequately low data misfits for the made assumptions. In addition, the coupling constraints depend on the relative resolutions of the methods, which leads to an improved convergence behavior of the joint inversion. Another benefit of the proposed scheme is that structural information can easily be incorporated in the petrophysical joint inversion (no additional terms are added in the objective functions) by using mutually controlled structural weights for the smoothing constraints. We test our scheme using data generated from a synthetic 2-D sub-basalt model. We observe that the adaption of the coupling strengths makes the convergence of the inversions very robust (data misfits of all methods are close to the target misfits) and that final results are always close to the true models independent of the parameter choices. Finally, the scheme is applied on real data sets from the Faroe-Shetland Basin to image a basaltic sequence and underlying structures. The presence of a borehole and a 3-D reflection seismic survey in this region allows direct comparison and, hence, evaluate the quality of the joint inversion results. The results from joint inversion are more consistent with results from other studies than the ones from the corresponding individual inversions and the shape of the basaltic sequence is better resolved. However, due to the limited resolution of the individual methods used it was not possible to resolve structures underneath the basalt in detail, indicating that additional geophysical information (e.g. CSEM, reflection onsets) needs to be included.

Printed freeform lens arrays on multi-core fibers for highly efficient coupling in astrophotonic systems.

PubMed

Dietrich, Philipp-Immanuel; Harris, Robert J; Blaicher, Matthias; Corrigan, Mark K; Morris, Tim M; Freude, Wolfgang; Quirrenbach, Andreas; Koos, Christian

2017-07-24

Coupling of light into multi-core fibers (MCF) for spatially resolved spectroscopy is of great importance to astronomical instrumentation. To achieve high coupling efficiencies along with fill-fractions close to unity, micro-optical elements are required to concentrate the incoming light to the individual cores of the MCF. In this paper we demonstrate facet-attached lens arrays (LA) fabricated by two-photon polymerization. The LA provide close to 100% fill-fraction along with efficiencies of up to 73% (down to 1.4 dB loss) for coupling of light from free space into an MCF core. We show the viability of the concept for astrophotonic applications by integrating an MCF-LA assembly in an adaptive-optics test bed and by assessing its performance as a tip/tilt sensor.

Evaluation of aerodynamic characteristics of a coupled fluid-structure system using generalized Bernoulli’s principle: An application to vocal folds vibration

PubMed Central

Zhang, Lucy T.; Yang, Jubiao

2017-01-01

In this work we explore the aerodynamics flow characteristics of a coupled fluid-structure interaction system using a generalized Bernoulli equation derived directly from the Cauchy momentum equations. Unlike the conventional Bernoulli equation where incompressible, inviscid, and steady flow conditions are assumed, this generalized Bernoulli equation includes the contributions from compressibility, viscous, and unsteadiness, which could be essential in defining aerodynamic characteristics. The application of the derived Bernoulli’s principle is on a fully-coupled fluid-structure interaction simulation of the vocal folds vibration. The coupled system is simulated using the immersed finite element method where compressible Navier-Stokes equations are used to describe the air and an elastic pliable structure to describe the vocal fold. The vibration of the vocal fold works to open and close the glottal flow. The aerodynamics flow characteristics are evaluated using the derived Bernoulli’s principles for a vibration cycle in a carefully partitioned control volume based on the moving structure. The results agree very well to experimental observations, which validate the strategy and its use in other types of flow characteristics that involve coupled fluid-structure interactions. PMID:29527541

Evaluation of aerodynamic characteristics of a coupled fluid-structure system using generalized Bernoulli's principle: An application to vocal folds vibration.

PubMed

Zhang, Lucy T; Yang, Jubiao

2016-12-01

In this work we explore the aerodynamics flow characteristics of a coupled fluid-structure interaction system using a generalized Bernoulli equation derived directly from the Cauchy momentum equations. Unlike the conventional Bernoulli equation where incompressible, inviscid, and steady flow conditions are assumed, this generalized Bernoulli equation includes the contributions from compressibility, viscous, and unsteadiness, which could be essential in defining aerodynamic characteristics. The application of the derived Bernoulli's principle is on a fully-coupled fluid-structure interaction simulation of the vocal folds vibration. The coupled system is simulated using the immersed finite element method where compressible Navier-Stokes equations are used to describe the air and an elastic pliable structure to describe the vocal fold. The vibration of the vocal fold works to open and close the glottal flow. The aerodynamics flow characteristics are evaluated using the derived Bernoulli's principles for a vibration cycle in a carefully partitioned control volume based on the moving structure. The results agree very well to experimental observations, which validate the strategy and its use in other types of flow characteristics that involve coupled fluid-structure interactions.

Development of Extended Ray-tracing method including diffraction, polarization and wave decay effects

NASA Astrophysics Data System (ADS)

Yanagihara, Kota; Kubo, Shin; Dodin, Ilya; Nakamura, Hiroaki; Tsujimura, Toru

2017-10-01

Geometrical Optics Ray-tracing is a reasonable numerical analytic approach for describing the Electron Cyclotron resonance Wave (ECW) in slowly varying spatially inhomogeneous plasma. It is well known that the result with this conventional method is adequate in most cases. However, in the case of Helical fusion plasma which has complicated magnetic structure, strong magnetic shear with a large scale length of density can cause a mode coupling of waves outside the last closed flux surface, and complicated absorption structure requires a strong focused wave for ECH. Since conventional Ray Equations to describe ECW do not have any terms to describe the diffraction, polarization and wave decay effects, we can not describe accurately a mode coupling of waves, strong focus waves, behavior of waves in inhomogeneous absorption region and so on. For fundamental solution of these problems, we consider the extension of the Ray-tracing method. Specific process is planned as follows. First, calculate the reference ray by conventional method, and define the local ray-base coordinate system along the reference ray. Then, calculate the evolution of the distributions of amplitude and phase on ray-base coordinate step by step. The progress of our extended method will be presented.

A Flux-Corrected Transport Based Hydrodynamic Model for the Plasmasphere Refilling Problem following Geomagnetic Storms

NASA Astrophysics Data System (ADS)

Chatterjee, K.; Schunk, R. W.

2017-12-01

The refilling of the plasmasphere following a geomagnetic storm remains one of the longstanding problems in the area of ionosphere-magnetosphere coupling. Both diffusion and hydrodynamic approximations have been adopted for the modeling and solution of this problem. The diffusion approximation neglects the nonlinear inertial term in the momentum equation and so this approximation is not rigorously valid immediately after the storm. Over the last few years, we have developed a hydrodynamic refilling model using the flux-corrected transport method, a numerical method that is extremely well suited to handling nonlinear problems with shocks and discontinuities. The plasma transport equations are solved along 1D closed magnetic field lines that connect conjugate ionospheres and the model currently includes three ion (H+, O+, He+) and two neutral (O, H) species. In this work, each ion species under consideration has been modeled as two separate streams emanating from the conjugate hemispheres and the model correctly predicts supersonic ion speeds and the presence of high levels of Helium during the early hours of refilling. The ultimate objective of this research is the development of a 3D model for the plasmasphere refilling problem and with additional development, the same methodology can potentially be applied to the study of other complex space plasma coupling problems in closed flux tube geometries. Index Terms: 2447 Modeling and forecasting [IONOSPHERE] 2753 Numerical modeling [MAGNETOSPHERIC PHYSICS] 7959 Models [SPACE WEATHER

A limited 4 Å radial displacement of the S4-S5 linker is sufficient for internal gate closing in Kv channels.

PubMed

Faure, Élise; Starek, Greg; McGuire, Hugo; Bernèche, Simon; Blunck, Rikard

2012-11-16

Voltage-gated ion channels are responsible for the generation of action potentials in our nervous system. Conformational rearrangements in their voltage sensor domains in response to changes of the membrane potential control pore opening and thus ion conduction. Crystal structures of the open channel in combination with a wealth of biophysical data and molecular dynamics simulations led to a consensus on the voltage sensor movement. However, the coupling between voltage sensor movement and pore opening, the electromechanical coupling, occurs at the cytosolic face of the channel, from where no structural information is available yet. In particular, the question how far the cytosolic pore gate has to close to prevent ion conduction remains controversial. In cells, spectroscopic methods are hindered because labeling of internal sites remains difficult, whereas liposomes or detergent solutions containing purified ion channels lack voltage control. Here, to overcome these problems, we controlled the state of the channel by varying the lipid environment. This way, we directly measured the position of the S4-S5 linker in both the open and the closed state of a prokaryotic Kv channel (KvAP) in a lipid environment using Lanthanide-based resonance energy transfer. We were able to reconstruct the movement of the covalent link between the voltage sensor and the pore domain and used this information as restraints for molecular dynamics simulations of the closed state structure. We found that a small decrease of the pore radius of about 3-4 Å is sufficient to prevent ion permeation through the pore.

Daily Couple Experiences and Parent Affect in Families of Children with versus without Autism

ERIC Educational Resources Information Center

Hartley, Sigan L.; DaWalt, Leann Smith; Schultz, Haley M.

2017-01-01

We examined daily couple experiences in 174 couples who had a child with autism spectrum disorder (ASD) relative to 179 couples who had a child without disabilities and their same-day association with parent affect. Parents completed a 14-day daily diary in which they reported time with partner, partner support, partner closeness, and positive and…

Self-expansion and flow in couples' momentary experiences: an experience sampling study.

PubMed

Graham, James M

2008-09-01

The self-expansion model of close relationships posits that when couples engage in exciting and activating conjoint activities, they feel connected with their partners and more satisfied with their relationships. In the present study, the experience sampling method was used to examine the predictions of the self-expansion model in couples' momentary experiences. In addition, the author generated several new hypotheses by integrating the self-expansion model with existing research on flow. Over the course of 1 week, 20 couples were signaled at quasi-random intervals to provide data on 1,265 unique experiences. The results suggest that the level of activation experienced during an activity was positively related to experience-level relationship quality. This relationship was consistent across free-time and nonfree-time contexts and was mediated by positive affect. Activation was not found to predict later affect unless the level of activation exceeded what was typical for the individual. Also examined was the influence of interpersonal context and activity type on self-expansion. The results support the self-expansion model and suggest that it could be considered under the broader umbrella of flow.

Is Hidden Crossings Theory a New MOCC Method?

NASA Astrophysics Data System (ADS)

Krstić, Predrag; Schultz, David

1998-05-01

We find un unitary transformation of the scaled adiabatic Hamiltonian of a two-center, one-electron collision system which yields a new representation for the matrix elements of nonadiabatic radial coupling, valid for low-to-intermediate collision velocities. These are given in analytic form once the topology of the branch points of the adiabatic Hamiltonian in the plane of complex internuclear distance R is known. The matrix elements do not depend on origin of electronic coordinates and properly vanish at large internuclear distances. The role of the rotational couplings in the new representation is also discussed. The aproach is appropriately extended and compared with the PSS treatment in the fully quantal description of the collision. We apply new radial and rotational matrix elements in the standard Molecular Orbital Close Coupling (MOCC) approach to describe excitation and ionization in collisions of antiprotons with He^+ and of alpha-particles with hydrogen(P.S. Krstić et al, J. Phys. B. 31, in press (1998).). The results are compared with those obtained from the standard MOCC method and from the direct solutions of the Schrödinger equation on lattice (LTDSE)(D.R. Schultz et al, Phys. Rev. A 56, 3710 (1997)).

Photoionization and Recombination

NASA Technical Reports Server (NTRS)

Nahar, Sultana N.

2000-01-01

Theoretically self-consistent calculations for photoionization and (e + ion) recombination are described. The same eigenfunction expansion for the ion is employed in coupled channel calculations for both processes, thus ensuring consistency between cross sections and rates. The theoretical treatment of (e + ion) recombination subsumes both the non-resonant recombination ("radiative recombination"), and the resonant recombination ("di-electronic recombination") processes in a unified scheme. In addition to the total, unified recombination rates, level-specific recombination rates and photoionization cross sections are obtained for a large number of atomic levels. Both relativistic Breit-Pauli, and non-relativistic LS coupling, calculations are carried out in the close coupling approximation using the R-matrix method. Although the calculations are computationally intensive, they yield nearly all photoionization and recombination parameters needed for astrophysical photoionization models with higher precision than hitherto possible, estimated at about 10-20% from comparison with experimentally available data (including experimentally derived DR rates). Results are electronically available for over 40 atoms and ions. Photoionization and recombination of He-, and Li-like C and Fe are described for X-ray modeling. The unified method yields total and complete (e+ion) recombination rate coefficients, that can not otherwise be obtained theoretically or experimentally.

Effect of damage on elastically tailored composite laminates

NASA Technical Reports Server (NTRS)

Armanios, Erian; Badir, Ashraf; Berdichevsky, Victor

1991-01-01

A variationally consistent theory is derived in order to predict the response of anisotropic thin-walled closed sections subjected to axial load, torsion and bending. The theory is valid for arbitrary cross-sections made of laminated composite materials with variable thickness and stiffness. Closed form expressions for the stiffness coefficients are provided as integrals in terms of lay-ups parameters and cross-sectional geometry. A comparison of stiffness coefficients and response with finite element predictions and a closed form solution is performed. The theory is applied to the investigation of the effect of damage on the extension-twist coupling in a thin-walled closed section beam. The damage is simulated as a progressive ply-by-ply failure. Results show that damage can have a significant effect on the extension-twist coupling.

GalaxyGPCRloop: Template-Based and Ab Initio Structure Sampling of the Extracellular Loops of G-Protein-Coupled Receptors.

PubMed

Won, Jonghun; Lee, Gyu Rie; Park, Hahnbeom; Seok, Chaok

2018-06-07

The second extracellular loops (ECL2s) of G-protein-coupled receptors (GPCRs) are often involved in GPCR functions, and their structures have important implications in drug discovery. However, structure prediction of ECL2 is difficult because of its long length and the structural diversity among different GPCRs. In this study, a new ECL2 conformational sampling method involving both template-based and ab initio sampling was developed. Inspired by the observation of similar ECL2 structures of closely related GPCRs, a template-based sampling method employing loop structure templates selected from the structure database was developed. A new metric for evaluating similarity of the target loop to templates was introduced for template selection. An ab initio loop sampling method was also developed to treat cases without highly similar templates. The ab initio method is based on the previously developed fragment assembly and loop closure method. A new sampling component that takes advantage of secondary structure prediction was added. In addition, a conserved disulfide bridge restraining ECL2 conformation was predicted and analytically incorporated into sampling, reducing the effective dimension of the conformational search space. The sampling method was combined with an existing energy function for comparison with previously reported loop structure prediction methods, and the benchmark test demonstrated outstanding performance.

LETTER TO THE EDITOR: Two-centre exchange integrals for complex exponent Slater orbitals

NASA Astrophysics Data System (ADS)

Kuang, Jiyun; Lin, C. D.

1996-12-01

The one-dimensional integral representation for the Fourier transform of a two-centre product of B functions (finite linear combinations of Slater orbitals) with real parameters is generalized to include B functions with complex parameters. This one-dimensional integral representation allows for an efficient method of calculating two-centre exchange integrals with plane-wave electronic translational factors (ETF) over Slater orbitals of real/complex exponents. This method is a significant improvement on the previous two-dimensional quadrature method of the integrals. A new basis set of the form 0953-4075/29/24/005/img1 is proposed to improve the description of pseudo-continuum states in the close-coupling treatment of ion - atom collisions.

Dual-Spool Turbine Facility Design Overview

NASA Technical Reports Server (NTRS)

Giel, Paul; Pachlhofer, Pete

2003-01-01

The next generation of aircraft engines, both commercial and military, will attempt to capitalize on the benefits of close-coupled, vaneless, counter-rotating turbine systems. Experience has shown that significant risks and challenges are present with close-coupled systems in terms of efficiency and durability. The UEET program needs to demonstrate aerodynamic loading and efficiency goals for close-coupled, reduced-stage HP/LP turbine systems as a Level 1 Milestone for FY05. No research facility exists in the U.S. to provide risk reduction for successful development of close-coupled, high and low pressure turbine systems for the next generations of engines. To meet these objectives, the design, construction, and integrated systems testing of a Dual-Spool Turbine Facility (DSTF) facility has been initiated at the NASA Glenn Research Center. The facility will be a warm (-IOOO'F), continuous flow facility for overall aerodynamic performance and detailed flow field measurement acquisition. The facility will have state-of-the-art instrumentation to capture flow physics details. Accurate and reliable speed control will be achieved by utilizing the existing Variable Frequency Drive System. Utilization of this and other existing GRC centralized utilities will reduce the overall construction costs. The design allows for future installation of a turbine inlet combustor profile simulator. This presentation details the objectives of the facility and the concepts used in specifying its capabilities. Some preliminary design results will be presented along with a discussion of plans and schedules.

A monolithic 3D-0D coupled closed-loop model of the heart and the vascular system: Experiment-based parameter estimation for patient-specific cardiac mechanics.

PubMed

Hirschvogel, Marc; Bassilious, Marina; Jagschies, Lasse; Wildhirt, Stephen M; Gee, Michael W

2016-10-15

A model for patient-specific cardiac mechanics simulation is introduced, incorporating a 3-dimensional finite element model of the ventricular part of the heart, which is coupled to a reduced-order 0-dimensional closed-loop vascular system, heart valve, and atrial chamber model. The ventricles are modeled by a nonlinear orthotropic passive material law. The electrical activation is mimicked by a prescribed parameterized active stress acting along a generic muscle fiber orientation. Our activation function is constructed such that the start of ventricular contraction and relaxation as well as the active stress curve's slope are parameterized. The imaging-based patient-specific ventricular model is prestressed to low end-diastolic pressure to account for the imaged, stressed configuration. Visco-elastic Robin boundary conditions are applied to the heart base and the epicardium to account for the embedding surrounding. We treat the 3D solid-0D fluid interaction as a strongly coupled monolithic problem, which is consistently linearized with respect to 3D solid and 0D fluid model variables to allow for a Newton-type solution procedure. The resulting coupled linear system of equations is solved iteratively in every Newton step using 2  ×  2 physics-based block preconditioning. Furthermore, we present novel efficient strategies for calibrating active contractile and vascular resistance parameters to experimental left ventricular pressure and stroke volume data gained in porcine experiments. Two exemplary states of cardiovascular condition are considered, namely, after application of vasodilatory beta blockers (BETA) and after injection of vasoconstrictive phenylephrine (PHEN). The parameter calibration to the specific individual and cardiovascular state at hand is performed using a 2-stage nonlinear multilevel method that uses a low-fidelity heart model to compute a parameter correction for the high-fidelity model optimization problem. We discuss 2 different low-fidelity model choices with respect to their ability to augment the parameter optimization. Because the periodic state conditions on the model (active stress, vascular pressures, and fluxes) are a priori unknown and also dependent on the parameters to be calibrated (and vice versa), we perform parameter calibration and periodic state condition estimation simultaneously. After a couple of heart beats, the calibration algorithm converges to a settled, periodic state because of conservation of blood volume within the closed-loop circulatory system. The proposed model and multilevel calibration method are cost-efficient and allow for an efficient determination of a patient-specific in silico heart model that reproduces physiological observations very well. Such an individual and state accurate model is an important predictive tool in intervention planning, assist device engineering and other medical applications. Copyright © 2016 John Wiley & Sons, Ltd.

Decentralization, stabilization, and estimation of large-scale linear systems

NASA Technical Reports Server (NTRS)

Siljak, D. D.; Vukcevic, M. B.

1976-01-01

In this short paper we consider three closely related aspects of large-scale systems: decentralization, stabilization, and estimation. A method is proposed to decompose a large linear system into a number of interconnected subsystems with decentralized (scalar) inputs or outputs. The procedure is preliminary to the hierarchic stabilization and estimation of linear systems and is performed on the subsystem level. A multilevel control scheme based upon the decomposition-aggregation method is developed for stabilization of input-decentralized linear systems Local linear feedback controllers are used to stabilize each decoupled subsystem, while global linear feedback controllers are utilized to minimize the coupling effect among the subsystems. Systems stabilized by the method have a tolerance to a wide class of nonlinearities in subsystem coupling and high reliability with respect to structural perturbations. The proposed output-decentralization and stabilization schemes can be used directly to construct asymptotic state estimators for large linear systems on the subsystem level. The problem of dimensionality is resolved by constructing a number of low-order estimators, thus avoiding a design of a single estimator for the overall system.

Neutron Transport Models and Methods for HZETRN and Coupling to Low Energy Light Ion Transport

NASA Technical Reports Server (NTRS)

Blattnig, S.R.; Slaba, T.C.; Heinbockel, J.H.

2008-01-01

Exposure estimates inside space vehicles, surface habitats, and high altitude aircraft exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETCHEDS and FLUKA, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light ion (A<4) transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

Mode shape analysis using a commercially available peak store video frame buffer

NASA Technical Reports Server (NTRS)

Snow, Walter L.; Childers, Brooks A.

1994-01-01

Time exposure photography, sometimes coupled with strobe illumination, is an accepted method for motion analysis that bypasses frame by frame analysis and resynthesis of data. Garden variety video cameras can now exploit this technique using a unique frame buffer that is a non-integrating memory that compares incoming data with that already stored. The device continuously outputs an analog video signal of the stored contents which can then be redigitized and analyzed using conventional equipment. Historically, photographic time exposures have been used to record the displacement envelope of harmonically oscillating structures to show mode shape. Mode shape analysis is crucial, for example, in aeroelastic testing of wind tunnel models. Aerodynamic, inertial, and elastic forces can couple together leading to catastrophic failure of a poorly designed aircraft. This paper will explore the usefulness of the peak store device as a videometric tool and in particular discuss methods for analyzing a targeted vibrating plate using the 'peak store' in conjunction with calibration methods familiar to the close-range videometry community. Results for the first three normal modes will be presented.

Mode shape analysis using a commercially available "peak-store" video frame buffer

NASA Astrophysics Data System (ADS)

Snow, Walter L.; Childers, Brooks A.

1994-10-01

Time exposure photography, sometimes coupled with strobe illumination, is an accepted method for motion analysis that bypasses frame by frame analysis and re synthesis of data. Garden variety video cameras can now exploit this technique using a unique frame buffer that is a non integrating memory that compares incoming data with that already stored. The device continuously outputs an analog video signal of the stored contents which can then be redigitized and analyzed using conventional equipment. Historically, photographic time exposures have been used to record the displacement envelope of harmonically oscillating structures to show mode shape. Mode shape analysis is crucial, for example, in aeroelastic testing of wind tunnel models. Aerodynamic, inertial, and elastic forces can couple together leading to catastrophic failure of a poorly designed aircraft. This paper will explore the usefulness of the peak store device as a videometric tool and in particular discuss methods for analyzing a targeted vibrating plate using the `peak store' in conjunction with calibration methods familiar to the close-range videometry community. Results for the first three normal modes will be presented.

Direct Simulation Monte Carlo Application of the Three Dimensional Forced Harmonic Oscillator Model

DTIC Science & Technology

2017-12-07

quasi -classical scattering theory [3,4] or trajectory [5] calculations, semiclassical, as well as close-coupled [6,7] or full [8] quantum mechanical...the quasi -classical trajectory (QCT) calculations approach for ab initio modeling of collision processes. The DMS method builds on an earlier work...nu ar y 30 , 2 01 8 | h ttp :// ar c. ai aa .o rg | D O I: 1 0. 25 14 /1 .T 52 28 to directly use quasi -classical or quantum mechanic

Proceedings of the NASTRAN (Tradename) Users’ Colloquium (15th) Held in Kansas City, Missouri on 4-8 May 1987

DTIC Science & Technology

1987-08-01

HVAC duct hanger system over an extensive frequency range. The finite element, component mode synthesis, and statistical energy analysis methods are...800-5,000 Hz) analysis was conducted with Statistical Energy Analysis (SEA) coupled with a closed-form harmonic beam analysis program. These...resonances may be obtained by using a finer frequency increment. Statistical Energy Analysis The basic assumption used in SEA analysis is that within each band

Dual Expander Cycle Rocket Engine with an Intermediate, Closed-cycle Heat Exchanger

NASA Technical Reports Server (NTRS)

Greene, William D. (Inventor)

2008-01-01

A dual expander cycle (DEC) rocket engine with an intermediate closed-cycle heat exchanger is provided. A conventional DEC rocket engine has a closed-cycle heat exchanger thermally coupled thereto. The heat exchanger utilizes heat extracted from the engine's fuel circuit to drive the engine's oxidizer turbomachinery.

Illuminating the Mechanistic Roles of Enzyme Conformational Dynamics

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

Hanson, Jeffrey A.; Dunderstadt, Karl; Watkins, Lucas P.

2007-11-13

Many enzymes mold their structures to enclose substrates in their active sites such that conformational remodeling may be required during each catalytic cycle. In adenylate kinase (AK), this involves a large-amplitude rearrangement of the enzyme’s lid domain. Using our method of high-resolution single-molecule FRET, we directly followed AK’s domain movements on its catalytic time scale. To quantitatively measure the enzyme’s entire conformational distribution, we have applied maximum entropy-based methods to remove photon-counting noise from single-molecule data. This analysis shows unambiguously that AK is capable of dynamically sampling two distinct states, which correlate well with those observed by x-ray crystallography. Unexpectedly,more » the equilibrium favors the closed, active-site-forming configurations even in the absence of substrates. Our experiments further showed that interaction with substrates, rather than locking the enzyme into a compact state, restricts the spatial extent of conformational fluctuations and shifts the enzyme’s conformational equilibrium toward the closed form by increasing the closing rate of the lid. Integrating these microscopic dynamics into macroscopic kinetics allows us to model lid opening-coupled product release as the enzyme’s rate-limiting step.« less

Closed inductively coupled plasma cell

DOEpatents

Manning, Thomas J.; Palmer, Byron A.; Hof, Douglas E.

1990-01-01

A closed inductively coupled plasma cell generates a relatively high power, low noise plasma for use in spectroscopic studies. A variety of gases can be selected to form the plasma to minimize spectroscopic interference and to provide a electron density and temperature range for the sample to be analyzed. Grounded conductors are placed at the tube ends and axially displaced from the inductive coil, whereby the resulting electromagnetic field acts to elongate the plasma in the tube. Sample materials can be injected in the plasma to be excited for spectroscopy.

Coupled mixed-field laminate theory and finite element for smart piezoelectric composite shell structures

NASA Technical Reports Server (NTRS)

Saravanos, Dimitris A.

1996-01-01

Mechanics for the analysis of laminated composite shells with piezoelectric actuators and sensors are presented. A new mixed-field laminate theory for piezoelectric shells is formulated in curvilinear coordinates which combines single-layer assumptions for the displacements and a layerwise representation for the electric potential. The resultant coupled governing equations for curvilinear piezoelectric laminates are described. Structural mechanics are subsequently developed and an 8-node finite-element is formulated for the static and dynamic analysis of adaptive composite structures of general laminations containing piezoelectric layers. Evaluations of the method and comparisons with reported results are presented for laminated piezoelectric-composite plates, a closed cylindrical shell with a continuous piezoceramic layer and a laminated composite semi-circular cantilever shell with discrete cylindrical piezoelectric actuators and/or sensors.

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

Badnell, N. R.; Ballance, C. P.

Modeling the spectral emission of low-charge iron group ions enables the diagnostic determination of the local physical conditions of many cool plasma environments such as those found in H II regions, planetary nebulae, active galactic nuclei, etc. Electron-impact excitation drives the population of the emitting levels and, hence, their emissivities. By carrying-out Breit-Pauli and intermediate coupling frame transformation (ICFT) R-matrix calculations for the electron-impact excitation of Fe{sup 2+}, which both use the exact same atomic structure and the same close-coupling expansion, we demonstrate the validity of the application of the powerful ICFT method to low-charge iron group ions. This ismore » in contradiction to the finding of Bautista et al., who carried-out ICFT and Dirac R-matrix calculations for the same ion. We discuss possible reasons.« less

Radiative loss and charge exchange in low energy Na - Ca+ collisions

NASA Astrophysics Data System (ADS)

McLaughlin, B. M.; McAlpine, K.; McCann, J. F.; Pattillo, R.; Stancil, P. C.; Forrey, R. C.; Babb, J. F.

2016-05-01

Experiments on radiative loss and capture are currently being performed at the University of Connecticut. In response to this experimental effort we have performed detailed calculations for a variety of loss and capture processes. Several low lying states of the NaCa+ cation are used with the accurate potentials energy curves, transition dipole moments and non-adiabatic coupling matrix elements between the states, obtained at the MRCI+Q level of approximation with the MOLPRO suite of quantum chemistry codes. Cross sections and rate coefficients are calculated for radiative charge transfer (RCX), radiative association (RA) and charge exchange in a fully quantum molecular close-coupling (MOCC) approximation at the higher energies. We use a variety of approaches, the optical potential method, semi-classical and MOCC methods to compare and contrast approximations. In addition a kinetic theory recently applied to SiO is utilized which illustrates the dramatic impact resonances have on the radiative association rates. Supported by NASA and HLRS at Stuttgart University.

Charge transfer and ionization in collisions of Si3+ with H from low to high energy

NASA Astrophysics Data System (ADS)

Wang, J. G.; He, B.; Ning, Y.; Liu, C. L.; Yan, J.; Stancil, P. C.; Schultz, D. R.

2006-11-01

Charge transfer processes due to collisions of ground state Si3+(3sS1) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) and classical-trajectory Monte Carlo (CTMC) methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained from Herrero [J. Phys. B 29, 5583 (1996)] which were calculated with a full configuration-interaction method. Total and state-selective single-electron capture cross sections are obtained for collision energies from 0.01eV/u to 1MeV/u . Total and state-selective rate coefficients are also presented for temperatures from 2×103K to 107K . Comparison with existing data reveals that the total CTMC cross sections are in good agreement with the experimental measurements at the higher considered energies and that previous Landau-Zener calculations underestimate the total rate coefficients by a factor of up to two. The CTMC calculations of target ionization are presented for high energies.

Properties of coupled-cluster equations originating in excitation sub-algebras

NASA Astrophysics Data System (ADS)

Kowalski, Karol

2018-03-01

In this paper, we discuss properties of single-reference coupled cluster (CC) equations associated with the existence of sub-algebras of excitations that allow one to represent CC equations in a hybrid fashion where the cluster amplitudes associated with these sub-algebras can be obtained by solving the corresponding eigenvalue problem. For closed-shell formulations analyzed in this paper, the hybrid representation of CC equations provides a natural way for extending active-space and seniority number concepts to provide an accurate description of electron correlation effects. Moreover, a new representation can be utilized to re-define iterative algorithms used to solve CC equations, especially for tough cases defined by the presence of strong static and dynamical correlation effects. We will also explore invariance properties associated with excitation sub-algebras to define a new class of CC approximations referred to in this paper as the sub-algebra-flow-based CC methods. We illustrate the performance of these methods on the example of ground- and excited-state calculations for commonly used small benchmark systems.

[Study on the determination of 28 inorganic elements in sunflower seeds by ICP-OES/ICP-MS].

PubMed

Liu, Hong-Wei; Qin, Zong-Hui; Xie, Hua-Lin; Cao, Shu

2013-01-01

The present paper describes a simple method for the determination of trace elements in sunflower seeds by using inductively coupled plasma optical emission spectrometry (ICP-OES) and inductively coupled plasma spectrometry (ICP-MS). HNO3 + H2O2 were used to achieve the complete decomposition of the organic matrix in a closed-vessel microwave oven. The contents of 10 trace elements (Al, B, Ca, Fe, K, Mg, Na, Si, P and S) in sunflower seeds were determined by ICP-OES while 18 trace elements (As, Ba, Cd, Co, Cr, Cu, Li, Mn, Mo, Ni, Pb, Rb, Sr, Sn, Sb, Ti, V and Zn) were determined by ICP-MS. The rice reference material (GBW10045) was used as standard reference materials. The results showed a good agreement between measured and certified values for all analytes. The concentrations of necessary micro elements Ca, K, Mg, P and S were higher. This method was simple, sensitive and precise and can perform simultaneous multi-elements determination of sunflower seeds.

A coupled modal-finite element method for the wave propagation modeling in irregular open waveguides.

PubMed

Pelat, Adrien; Felix, Simon; Pagneux, Vincent

2011-03-01

In modeling the wave propagation within a street canyon, particular attention must be paid to the description of both the multiple reflections of the wave on the building facades and the radiation in the free space above the street. The street canyon being considered as an open waveguide with a discontinuously varying cross-section, a coupled modal-finite element formulation is proposed to solve the three-dimensional wave equation within. The originally open configuration-the street canyon open in the sky above-is artificially turned into a close waveguiding structure by using perfectly matched layers that truncate the infinite sky without introducing numerical reflection. Then the eigenmodes of the resulting waveguide are determined by a finite element method computation in the cross-section. The eigensolutions can finally be used in a multimodal formulation of the wave propagation along the canyon, given its geometry and the end conditions at its extremities: initial field condition at the entrance and radiation condition at the output. © 2011 Acoustical Society of America

Coupled Neutron Transport for HZETRN

NASA Technical Reports Server (NTRS)

Slaba, Tony C.; Blattnig, Steve R.

2009-01-01

Exposure estimates inside space vehicles, surface habitats, and high altitude aircrafts exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETC-HEDS, FLUKA, and MCNPX, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light particle transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

Separation of Opiate Isomers Using Electrospray Ionization and Paper Spray Coupled to High-Field Asymmetric Waveform Ion Mobility Spectrometry

NASA Astrophysics Data System (ADS)

Manicke, Nicholas E.; Belford, Michael

2015-05-01

One limitation in the growing field of ambient or direct analysis methods is reduced selectivity caused by the elimination of chromatographic separations prior to mass spectrometric analysis. We explored the use of high-field asymmetric waveform ion mobility spectrometry (FAIMS), an ambient pressure ion mobility technique, to separate the closely related opiate isomers of morphine, hydromorphone, and norcodeine. These isomers cannot be distinguished by tandem mass spectrometry. Separation prior to MS analysis is, therefore, required to distinguish these compounds, which are important in clinical chemistry and toxicology. FAIMS was coupled to a triple quadrupole mass spectrometer, and ionization was performed using either a pneumatically assisted heated electrospray ionization source (H-ESI) or paper spray, a direct analysis method that has been applied to the direct analysis of dried blood spots and other complex samples. We found that FAIMS was capable of separating the three opiate structural isomers using both H-ESI and paper spray as the ionization source.

Structure Prediction of the Second Extracellular Loop in G-Protein-Coupled Receptors

PubMed Central

Kmiecik, Sebastian; Jamroz, Michal; Kolinski, Michal

2014-01-01

G-protein-coupled receptors (GPCRs) play key roles in living organisms. Therefore, it is important to determine their functional structures. The second extracellular loop (ECL2) is a functionally important region of GPCRs, which poses significant challenge for computational structure prediction methods. In this work, we evaluated CABS, a well-established protein modeling tool for predicting ECL2 structure in 13 GPCRs. The ECL2s (with between 13 and 34 residues) are predicted in an environment of other extracellular loops being fully flexible and the transmembrane domain fixed in its x-ray conformation. The modeling procedure used theoretical predictions of ECL2 secondary structure and experimental constraints on disulfide bridges. Our approach yielded ensembles of low-energy conformers and the most populated conformers that contained models close to the available x-ray structures. The level of similarity between the predicted models and x-ray structures is comparable to that of other state-of-the-art computational methods. Our results extend other studies by including newly crystallized GPCRs. PMID:24896119

New modeling method and mechanism analyses for active control of interior noise in an irregular enclosure using piezoelectric actuators.

PubMed

Geng, Hou C; Rao, Zhu S; Han, Zu S

2003-03-01

A new modeling method is developed in this paper for the active minimization of noise within a three-dimensional irregular enclosure using distributed lead zirconate titanate piezoelectric (PZT) actuators, and the control mechanisms for irregular enclosure are analyzed. The irregular enclosure is modeled with four rigid walls and two simply supported flexible panels, and PZT actuators are bound to one of the flexible panels. The process of the new modeling method is as follows. First, the modal coupling method is used to establish the motion equations, which contain important coefficients such as modal masses and modal coupling coefficients, etc., of acoustic-structural-piezoelectric coupling system. Then, the acoustic modes and the modal masses of irregular enclosure are calculated by numerical methods. Last, the modal coupling coefficients in motion equations are calculated according to the numerical results of the acoustic modes of irregular enclosure and the modes of two panels. The validity of this modeling method is verified by a regular hexahedron enclosure. Two cost functions are applied to this model. With the two cost functions, good results are obtained in minimizing the sound-pressure level (SPL) within irregular enclosure according to numerical investigations. By comparing the results obtained under controlled and uncontrolled states, the control mechanisms of the system are discussed. It is found that the control mechanisms vary with disturbance frequencies. At most disturbance frequencies, the SPL within enclosure is reduced by restructuring the modes of two panels simultaneously. When the disturbance frequency comes close to one of the natural frequencies of panel a, the dominant mode of panel a is suppressed, while the modes of panel b are reconstructed. While the disturbance frequency is near one of the natural frequencies of panel b, the modes of two panels are restructured at the same time.

Collisional excitation of ArH+ by hydrogen atoms

NASA Astrophysics Data System (ADS)

Dagdigian, Paul J.

2018-06-01

The rotational excitation of the 36ArH+ ion in collisions with hydrogen atoms is investigated in this work. The potential energy surface (PES) describing the 36ArH+-H interaction, with the ion bond length r fixed at the average of r over the radial v = 0 vibrational state distribution, was obtained with a coupled cluster method that included single, double, and (perturbatively) triple excitations [RCCSD(T)]. A deep minimum (De = 3135 cm-1) in the PES was found in linear H-ArH+ geometry at an ion-atom separation Re = 4.80a0. Energy-dependent cross-sections and rate coefficients as a function of temperature for this collision pair were computed in close-coupling (CC) calculations. Since the PES possesses a deep well, this is a good system to test the performance of the quantum statistical (QS) method developed by Manolopoulos and co-workers as a more efficient method to compute the cross-sections. Good agreement was found between rate coefficients obtained by the CC and QS methods at several temperatures. In a simple application, the excitation of ArH+ is simulated for conditions under which this ion is observed in absorption.

Dyadic Qualitative Analysis of Condom Use Scripts Among Emerging Adult Gay Male Couples.

PubMed

Starks, Tyrel J; Pawson, Mark; Stephenson, Rob; Sullivan, Patrick; Parsons, Jeffrey T

2018-04-03

Sexual risk reduction among gay male couples has received increasing attention in light of evidence that primary partners account for many-and possibly most-new HIV infections. This study examined the content of condom use scripts in interviews conducted with both members of 17 HIV-negative gay male couples. In each couple, at least one partner was an emerging adult (aged 18 to 29). Three scripts were identified: romantic love, unanticipated condomless anal intercourse (CAI), and negotiated safety. Scripts varied in their emphasis on emotional factors versus HIV risk reduction, the salience of sexual agreements, and the presence of an explicit communication goal. Results indicated that condom use may vary for couples as a result of script content and from the fluid adoption of scripts across contexts. Results highlighted potential tensions between emotional closeness and HIV prevention. Condom use cessation and sexual agreements-a potential mechanism for HIV risk reduction-may also serve as expressions of intimacy. This implies interventions that facilitate direct communication about sexual and relational goals-as well as those that expand couples' repertoires for expressing emotional closeness-may enhance sexual health for gay couples, particularly during the period of emerging adulthood.

Robust control for a biaxial servo with time delay system based on adaptive tuning technique.

PubMed

Chen, Tien-Chi; Yu, Chih-Hsien

2009-07-01

A robust control method for synchronizing a biaxial servo system motion is proposed in this paper. A new network based cross-coupled control and adaptive tuning techniques are used together to cancel out the skew error. The conventional fixed gain PID cross-coupled controller (CCC) is replaced with the adaptive cross-coupled controller (ACCC) in the proposed control scheme to maintain biaxial servo system synchronization motion. Adaptive-tuning PID (APID) position and velocity controllers provide the necessary control actions to maintain synchronization while following a variable command trajectory. A delay-time compensator (DTC) with an adaptive controller was augmented to set the time delay element, effectively moving it outside the closed loop, enhancing the stability of the robust controlled system. This scheme provides strong robustness with respect to uncertain dynamics and disturbances. The simulation and experimental results reveal that the proposed control structure adapts to a wide range of operating conditions and provides promising results under parameter variations and load changes.

Spectroscopic and electric properties of the LiCs molecule: a coupled cluster study including higher excitations

NASA Astrophysics Data System (ADS)

Sørensen, L. K.; Fleig, T.; Olsen, J.

2009-08-01

Aimed at obtaining complete and highly accurate potential energy surfaces for molecules containing heavy elements, we present a new general-order coupled cluster method which can be applied in the framework of the spin-free Dirac formalism. As an initial application we present a systematic study of electron correlation and relativistic effects on the spectroscopic and electric properties of the LiCs molecule in its electronic ground state. In particular, we closely investigate the importance of excitations higher than coupled cluster doubles, spin-free and spin-dependent relativistic effects and the correlation of outer-core electrons on the equilibrium bond length, the harmonic vibrational frequency, the dissociation energy, the dipole moment and the static electric dipole polarizability. We demonstrate that our new implementation allows for highly accurate calculations not only in the bonding region but also along the complete potential curve. The quality of our results is demonstrated by a vibrational analysis where an almost complete set of vibrational levels has been calculated accurately.

“Love Hurts”: Romantic Attachment and Depressive Symptoms in Pregnant Adolescent and Young Adult Couples

PubMed Central

Desrosiers, Alethea; Sipsma, Heather; Callands, Tamora; Hansen, Nathan; Divney, Anna; Magriples, Urania; Kershaw, Trace

2014-01-01

Objective The current study investigates the relationship between romantic attachment style and depressive symptoms between both members of pregnant adolescent and young adult couples. Method Participants were 296 pregnant young females (mean age = 18.7) and their male partners (mean age = 21.3; 592 total participants) who were recruited from obstetrics and gynecology clinics in Connecticut. The dimensions of avoidant and anxious romantic attachment were assessed using the Experiences in Close Relationships Inventory. Depressive symptoms were measured using the Center for Epidemiological Studies-Depression Scale. Results Results showed that avoidant attachment and anxious attachment were significantly positively related to depressive symptoms. Multilevel modeling for partner effects revealed that anxious attachment and depressive symptoms in partners were significantly positively associated with depressive symptoms Conclusion Findings underscore the importance of considering couples-based approaches to supporting the transition to parenthood and developing the necessary self and relationship skills to manage attachment needs and relationship challenges. PMID:23794358

Analysis of dead zone sources in a closed-loop fiber optic gyroscope.

PubMed

Chong, Kyoung-Ho; Choi, Woo-Seok; Chong, Kil-To

2016-01-01

Analysis of the dead zone is among the intensive studies in a closed-loop fiber optic gyroscope. In a dead zone, a gyroscope cannot detect any rotation and produces a zero bias. In this study, an analysis of dead zone sources is performed in simulation and experiments. In general, the problem is mainly due to electrical cross coupling and phase modulation drift. Electrical cross coupling is caused by interference between modulation voltage and the photodetector. The cross-coupled signal produces spurious gyro bias and leads to a dead zone if it is larger than the input rate. Phase modulation drift as another dead zone source is due to the electrode contamination, the piezoelectric effect of the LiNbO3 substrate, or to organic fouling. This modulation drift lasts for a short or long period of time like a lead-lag filter response and produces gyro bias error, noise spikes, or dead zone. For a more detailed analysis, the cross-coupling effect and modulation phase drift are modeled as a filter and are simulated in both the open-loop and closed-loop modes. The sources of dead zone are more clearly analyzed in the simulation and experimental results.

QCD triple Pomeron coupling from string amplitudes

NASA Astrophysics Data System (ADS)

Bialas, A.; Navelet, H.; Peschanski, R.

1998-06-01

Using the recent solution of the triple Pomeron coupling in the QCD dipole picture as a closed string amplitude with six legs, its analytical form in terms of hypergeometric functions and numerical value are derived.

Charge Exchange X-Ray Emission due to Highly Charged Ion Collisions with H, He, and H2: Line Ratios for Heliospheric and Interstellar Applications

NASA Astrophysics Data System (ADS)

Cumbee, R. S.; Mullen, P. D.; Lyons, D.; Shelton, R. L.; Fogle, M.; Schultz, D. R.; Stancil, P. C.

2018-01-01

The fundamental collisional process of charge exchange (CX) has been established as a primary source of X-ray emission from the heliosphere, planetary exospheres, and supernova remnants. In this process, X-ray emission results from the capture of an electron by a highly charged ion from a neutral atom or molecule, to form a highly excited, high-charge state ion. As the captured electron cascades down to the lowest energy level, photons are emitted, including X-rays. To provide reliable CX-induced X-ray spectral models to realistically simulate these environments, line ratios and spectra are computed using theoretical CX cross sections obtained with the multi-channel Landau-Zener, atomic-orbital close-coupling, molecular-orbital close-coupling, and classical trajectory Monte Carlo methods for various collisional velocities relevant to astrophysics. X-ray spectra were computed for collisions of bare and H-like C to Al ions with H, He, and H2 with results compared to available experimental data. Using these line ratios, XSPEC models of CX emission in the northeast rim of the Cygnus Loop supernova remnant and the heliosphere are shown as examples with ion velocity dependence.

Satisfaction with sex life in sexually active heterosexual couples dealing with breast cancer: a nationwide longitudinal study.

PubMed

Rottmann, Nina; Gilså Hansen, Dorte; dePont Christensen, René; Hagedoorn, Mariët; Frisch, Morten; Nicolaisen, Anne; Kroman, Niels; Flyger, Henrik; Johansen, Christoffer

2017-02-01

A breast cancer (BC) diagnosis can profoundly affect the sex life of patient and partner within a couple. The purpose of the present study is to examine whether individual and partner sexual functioning, affectionate behavior, emotional closeness and depressive symptoms are associated with change over time in satisfaction with sex life of sexually active heterosexual couples dealing with BC and to explore whether the associations differ between patients and partners after adjustment for basic sociodemographic characteristics, comorbidity and BC treatment. Women with BC and their male partners participated in a longitudinal study (Time 1, ≤4 months after surgery; Time 2, 5 months later). Participants completed items from the PROMIS ® Sexual Function and Satisfaction measure (version 1.0), two items measuring affectionate behavior, a single item measuring emotional closeness and the Center for Epidemiologic Studies-Depression Scale. Registers provided sociodemographic and medical information. Multilevel models were used, which take the interdependency of couples' scores into account. A total of 287 sexually active couples were included in the analyses. Less vaginal discomfort and more vaginal lubrication were associated with increases in patients' satisfaction with sex life. Patients' and partners' satisfaction increased with higher ratings of their own orgasm ability and of partners' timing of ejaculation. Patients' reports of affectionate behavior were positively associated with their partners' satisfaction, and vice versa for partners. Patients' satisfaction increased the more emotional closeness their partner experienced. Partners' depressive symptoms were negatively associated with their satisfaction. Sociodemographic factors and BC treatment were not significantly associated with change in satisfaction. Satisfaction with sex life in sexually active couples dealing with BC needs to be seen as a couple issue. Health professionals should take the partner into account when addressing sexuality issues. Couples' functioning and relationship-related factors may be promising targets for couple interventions.

Electron Capture in Slow Collisions of Si4+ With Atomic Hydrogen

NASA Astrophysics Data System (ADS)

Joseph, D. C.; Gu, J. P.; Saha, B. C.

2009-10-01

In recent years the charge transfer involving Si4+ and H at low energies has drawn considerable attention both theoretically and experimentally due to its importance not only in astronomical environments but also in modern semiconductor industries. Accurate information regarding its molecular structures and interactions are essential to understand the low energy collision dynamics. Ab initio calculations are performed using the multireference single- and double-excitation configuration-interaction (MRD-CI) method to evaluate potential energies. State selective cross sections are calculate using fully quantum and semi-classical molecular-orbital close coupling (MOCC) methods in the adiabatic representation. Detail results will be presented in the conference.

Coupling between the Voltage-sensing and Pore Domains in a Voltage-gated Potassium Channel

PubMed Central

Schow, Eric V.; Freites, J. Alfredo; Nizkorodov, Alex; White, Stephen H.; Tobias, Douglas J.

2012-01-01

Voltage-dependent potassium (Kv), sodium (Nav), and calcium channels open and close in response to changes in transmembrane (TM) potential, thus regulating cell excitability by controlling ion flow across the membrane. An outstanding question concerning voltage gating is how voltage-induced conformational changes of the channel voltage-sensing domains (VSDs) are coupled through the S4-S5 interfacial linking helices to the opening and closing of the pore domain (PD). To investigate the coupling between the VSDs and the PD, we generated a closed Kv channel configuration from Aeropyrum pernix (KvAP) using atomistic simulations with experiment-based restraints on the VSDs. Full closure of the channel required, in addition to the experimentally determined TM displacement, that the VSDs be displaced both inwardly and laterally around the PD. This twisting motion generates a tight hydrophobic interface between the S4-S5 linkers and the C-terminal ends of the pore domain S6 helices in agreement with available experimental evidence. PMID:22425907

Coupling between the voltage-sensing and pore domains in a voltage-gated potassium channel.

PubMed

Schow, Eric V; Freites, J Alfredo; Nizkorodov, Alex; White, Stephen H; Tobias, Douglas J

2012-07-01

Voltage-dependent potassium (Kv), sodium (Nav), and calcium channels open and close in response to changes in transmembrane (TM) potential, thus regulating cell excitability by controlling ion flow across the membrane. An outstanding question concerning voltage gating is how voltage-induced conformational changes of the channel voltage-sensing domains (VSDs) are coupled through the S4-S5 interfacial linking helices to the opening and closing of the pore domain (PD). To investigate the coupling between the VSDs and the PD, we generated a closed Kv channel configuration from Aeropyrum pernix (KvAP) using atomistic simulations with experiment-based restraints on the VSDs. Full closure of the channel required, in addition to the experimentally determined TM displacement, that the VSDs be displaced both inwardly and laterally around the PD. This twisting motion generates a tight hydrophobic interface between the S4-S5 linkers and the C-terminal ends of the pore domain S6 helices in agreement with available experimental evidence.

A Spatial-frequency Method for Analyzing Antenna-to-Probe Interactions in Near-field Antenna Measurements.

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

Brock, Billy C.

The measurement of the radiation characteristics of an antenna on a near-field range requires that the antenna under test be located very close to the near-field probe. Although the direct coupling is utilized for characterizing the near field, this close proximity also presents the opportunity for significant undesired interactions (for example, reflections) to occur between the antenna and the near-field probe. When uncompensated, these additional interactions will introduce error into the measurement, increasing the uncertainty in the final gain pattern obtained through the near-field-to-far-field transformation. Quantifying this gain-uncertainty contribution requires quantifying the various additional interactions. A method incorporating spatial-frequency analysismore » is described which allows the dominant interaction contributions to be easily identified and quantified. In addition to identifying the additional antenna-to-probe interactions, the method also allows identification and quantification of interactions with other nearby objects within the measurement room. Because the method is a spatial-frequency method, wide-bandwidth data is not required, and it can be applied even when data is available at only a single temporal frequency. This feature ensures that the method can be applied to narrow-band antennas, where a similar time-domain analysis would not be possible. - 3 - - 4 -« less

Sensor and methods of detecting target materials and situations in closed systems

DOEpatents

Mee, David K.; Ripley, Edward B.; Nienstedt, Zachary C.; Nienstedt, Alex W.; Howell, Jr., Layton N.

2018-03-13

Disclosed is a passive, in-situ pressure sensor. The sensor includes a sensing element having a ferromagnetic metal and a tension inducing mechanism coupled to the ferromagnetic metal. The tension inducing mechanism is operable to change a tensile stress upon the ferromagnetic metal based on a change in pressure in the sensing element. Changes in pressure are detected based on changes in the magnetic switching characteristics of the ferromagnetic metal when subjected to an alternating magnetic field caused by the change in the tensile stress. The sensing element is embeddable in a closed system for detecting pressure changes without the need for any penetrations of the system for power or data acquisition by detecting changes in the magnetic switching characteristics of the ferromagnetic metal caused by the tensile stress.

Trends in Dielectric Etch for Microelectronics Processing

NASA Astrophysics Data System (ADS)

Hudson, Eric A.

2003-10-01

Dielectric etch technology faces many challenges to meet the requirements for leading-edge microelectronics processing. The move to sub 100-nm device design rules increases the aspect ratios of certain features, imposes tighter restrictions on etched features' critical dimensions, and increases the density of closely packed arrays of features. Changes in photolithography are driving transitions to new photoresist materials and novel multilayer resist methods. The increasing use of copper metallization and low-k interlayer dielectric materials has introduced dual-damascene integration methods, with specialized dielectric etch applications. A common need is the selective removal of multiple layers which have very different compositions, while maintaining close control of the etched features' profiles. To increase productivity, there is a growing trend toward in-situ processing, which allows several films to be successively etched during a single pass through the process module. Dielectric etch systems mainly utilize capacitively coupled etch reactors, operating with medium-density plasmas and low gas residence time. Commercial technology development increasingly relies upon plasma diagnostics and modeling to reduce development cycle time and maximize performance.

Determination of musks and other fragrance compounds at ng/L levels using CLSA (closed loop stripping analysis) and GC/MS detection.

PubMed

Mitjans, D; Ventura, F

2004-01-01

Closed loop stripping analysis (CLSA), a suitable tool for the determination of volatile and semivolatile compounds at low trace levels (ng/l), has been used to determine and quantify seven selected musks and two fragrances (Acetyl cedrene and Amberonne). The obtained extracts are analyzed by high resolution gas chromatography coupled to mass spectrometry (GC/MS) operating in the SIM mode. Quality parameters such as limit of detection; matrix effects; precision expressed as repeatability and reproducibility relative standard deviations of the method and an estimation of the uncertainty have been evaluated. The method has been applied to the analysis of wastewater effluents, surface water and tap water from different places in Europe. All samples contained differents musks at ng/l levels with the polycyclic musks Galaxolide and Tonalide and both fragrances, Amberonne and Acetyl cedrene, being the most abundant. These results suggest the importance of studying and controlling the presence of these ubiquitous environmental compounds in water systems.

Electromechanical coupling and temperature-dependent polarization reversal in piezoelectric ceramics.

PubMed

Weaver, Paul M; Cain, Markys G; Correia, Tatiana M; Stewart, Mark

2011-09-01

Electrostriction plays a central role in describing the electromechanical properties of ferroelectric materials, including widely used piezoelectric ceramics. The piezoelectric properties are closely related to the underlying electrostriction. Small-field piezoelectric properties can be described as electrostriction offset by the remanent polarization which characterizes the ferroelectric state. Indeed, even large-field piezoelectric effects are accurately accounted for by quadratic electrostriction. However, the electromechanical properties deviate from this simple electrostrictive description at electric fields near the coercive field. This is particularly important for actuator applications, for which very high electromechanical coupling can be obtained in this region. This paper presents the results of an experimental study of electromechanical coupling in piezoelectric ceramics at electric field strengths close to the coercive field, and the effects of temperature on electromechanical processes during polarization reversal. The roles of intrinsic ferroelectric strain coupling and extrinsic domain processes and their temperature dependence in determining the electromechanical response are discussed.

Improved RF Measurements of SRF Cavity Quality Factors

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

Holzbauer, J. P.; Contreras, C.; Pischalnikov, Y.

SRF cavity quality factors can be accurately measured using RF-power based techniques only when the cavity is very close to critically coupled. This limitation is from systematic errors driven by non-ideal RF components. When the cavity is not close to critically coupled, these systematic effects limit the accuracy of the measurements. The combination of the complex base-band envelopes of the cavity RF signals in combination with a trombone in the circuit allow the relative calibration of the RF signals to be extracted from the data and systematic effects to be characterized and suppressed. The improved calibration allows accurate measurements tomore » be made over a much wider range of couplings. Demonstration of these techniques during testing of a single-spoke resonator with a coupling factor of near 7 will be presented, along with recommendations for application of these techniques.« less

The double universal joint wrist on a manipulator: Solution of inverse position kinematics and singularity analysis

NASA Technical Reports Server (NTRS)

Williams, Robert L., III

1992-01-01

This paper presents three methods to solve the inverse position kinematics position problem of the double universal joint attached to a manipulator: (1) an analytical solution for two specific cases; (2) an approximate closed form solution based on ignoring the wrist offset; and (3) an iterative method which repeats closed form position and orientation calculations until the solution is achieved. Several manipulators are used to demonstrate the solution methods: cartesian, cylindrical, spherical, and an anthropomorphic articulated arm, based on the Flight Telerobotic Servicer (FTS) arm. A singularity analysis is presented for the double universal joint wrist attached to the above manipulator arms. While the double universal joint wrist standing alone is singularity-free in orientation, the singularity analysis indicates the presence of coupled position/orientation singularities of the spherical and articulated manipulators with the wrist. The cartesian and cylindrical manipulators with the double universal joint wrist were found to be singularity-free. The methods of this paper can be implemented in a real-time controller for manipulators with the double universal joint wrist. Such mechanically dextrous systems could be used in telerobotic and industrial applications, but further work is required to avoid the singularities.

Spatial patterns of close relationships across the lifespan

NASA Astrophysics Data System (ADS)

Jo, Hang-Hyun; Saramäki, Jari; Dunbar, Robin I. M.; Kaski, Kimmo

2014-11-01

The dynamics of close relationships is important for understanding the migration patterns of individual life-courses. The bottom-up approach to this subject by social scientists has been limited by sample size, while the more recent top-down approach using large-scale datasets suffers from a lack of detail about the human individuals. We incorporate the geographic and demographic information of millions of mobile phone users with their communication patterns to study the dynamics of close relationships and its effect in their life-course migration. We demonstrate how the close age- and sex-biased dyadic relationships are correlated with the geographic proximity of the pair of individuals, e.g., young couples tend to live further from each other than old couples. In addition, we find that emotionally closer pairs are living geographically closer to each other. These findings imply that the life-course framework is crucial for understanding the complex dynamics of close relationships and their effect on the migration patterns of human individuals.

Equilibrium charge fluctuations of a charge detector and its effect on a nearby quantum dot

NASA Astrophysics Data System (ADS)

Ruiz-Tijerina, David; Vernek, Edson; Ulloa, Sergio

2014-03-01

We study the Kondo state of a spin-1/2 quantum dot (QD), in close proximity to a quantum point contact (QPC) charge detector near the conductance regime of the 0.7 anomaly. The electrostatic coupling between the QD and QPC introduces a remote gate on the QD level, which varies with the QPC gate voltage. Furthermore, models for the 0.7 anomaly [Y. Meir et al., PRL 89,196802(2002)] suggest that the QPC lodges a Kondo-screened level with charge-correlated hybridization, which may be also affected by capacitive coupling to the QD, giving rise to a competition between the two Kondo ground states. We model the QD-QPC system as two capacitively-coupled Kondo impurities, and explore the zero-bias transport of both the QD and the QPC for different local gate voltages and coupling strengths, using the numerical renormalization group and variational methods. We find that the capacitive coupling produces a remote gating effect, non-monotonic in the gate voltages, which reduces the gate voltage window for Kondo screening in either impurity, and which can also drive a quantum phase transition out of the Kondo regime. Our study is carried out for intermediate coupling strengths, and as such is highly relevant to experiments; particularly, to recent studies of decoherence effects on QDs. Supported by MWN/CIAM and NSF PIRE.

Determination of the electromechanical coupling factor of gallium orthophosphate (GaPO4) and its influence on resonance-frequency temperature dependencies.

PubMed

Nosek, Jaroslav; Pustka, Martin

2006-01-01

The quartz homeotype gallium orthophosphate (GaPO4) is a representative of piezoelectric single crystals of large electromechanical coupling factor. It is known that its coupling factor kappa26 associated with the resonators vibrating in the thickness-shear mode is approximately two times greater than that of quartz. This property increases the spacing between the series and parallel resonance frequencies of resonators, as well as the difference between the resonance frequency temperature dependencies of the fundamental and harmonic resonance frequencies of resonators vibrating in the thickness-shear mode. In this paper, the methods for determination of the coupling factor kappa26 are presented, and the computed values are compared with the measured ones. The influence of the coupling factor to the resonance-frequency temperature dependencies of the fundamental and third harmonics of selected rotated Y-cut GaPO4 resonators vibrating in the thickness-shear mode is presented. The purely elastic case for a laterally unbounded plate, which corresponds closely to the limiting case of high harmonic resonance frequency-temperature behavior was assumed for the calculations. The computed temperature coefficients for the Y-cut orientation and calculated turnover point temperatures TTP for different (YX1) orientations are presented.

Investigation to advance prediction techniques of the low-speed aerodynamics of V/STOL aircraft

NASA Technical Reports Server (NTRS)

Maskew, B.; Strash, D.; Nathman, J.; Dvorak, F. A.

1985-01-01

A computer program, VSAERO, has been applied to a number of V/STOL configurations with a view to advancing prediction techniques for the low-speed aerodynamic characteristics. The program couples a low-order panel method with surface streamline calculation and integral boundary layer procedures. The panel method--which uses piecewise constant source and doublet panels-includes an iterative procedure for wake shape and models boundary layer displacement effect using the source transpiration technique. Certain improvements to a basic vortex tube jet model were installed in the code prior to evaluation. Very promising results were obtained for surface pressures near a jet issuing at 90 deg from a flat plate. A solid core model was used in the initial part of the jet with a simple entrainment model. Preliminary representation of the downstream separation zone significantly improve the correlation. The program accurately predicted the pressure distribution inside the inlet on the Grumman 698-411 design at a range of flight conditions. Furthermore, coupled viscous/potential flow calculations gave very close correlation with experimentally determined operational boundaries dictated by the onset of separation inside the inlet. Experimentally observed degradation of these operational boundaries between nacelle-alone tests and tests on the full configuration were also indicated by the calculation. Application of the program to the General Dynamics STOL fighter design were equally encouraging. Very close agreement was observed between experiment and calculation for the effects of power on pressure distribution, lift and lift curve slope.

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

Streubel, Robert; Kronast, Florian; Reiche, Christopher F.

For this work, we studied curvature-driven modifications to the magnetostatic coupling of vortex circulation and polarity in soft-magnetic closely packed cap arrays. A phase diagram for the magnetic remanent/transition states at room temperature as a function of diameter and thickness was assembled. For specimens with vortex remanent state (40 nm-thick Permalloy on 330 nm spherical nanoparticles), both vortex circulation and polarity were visualized. Intercap coupling upon vortex nucleation leads to the formation of vortex circulation patterns in closely packed arrays. The remanent circulation pattern can be tailored choosing the direction of the applied magnetic field with respect to the symmetrymore » axis of the hexagonal array. An even and random distribution of vortex polarity indicates the absence of any circulation-polarity coupling.« less

Which nanowire couples better electrically to a metal contact: Armchair or zigzag nanotube?

NASA Technical Reports Server (NTRS)

Anantram, M. P.; Biegel, Bryan (Technical Monitor)

2001-01-01

The fundamental question of how chirality affects tile electronic coupling of a nanotube to metal contacts is important for tile application of nanotubes as nanowires. We show that metallic-zigzag nanotubes are superior to armchair nanotubes as nanowires, by modeling the metal-nanotube interface. More specifically, we show that as a function of coupling strength, the total electron transmission of armchair nanotubes increases and tends to be pinned close to unity for a metal with Fermi wave vector close to that of gold. In contrast, the transmission probability of zigzag nanotubes increases to the maximum possible value of two. The origin of these effects lies in the details of the wave function, which is explained.

Unidirectional reflectionless phenomenon in ultracompact non-Hermitian plasmonic waveguide system based on phase coupling

NASA Astrophysics Data System (ADS)

Zhang, Cong; Bai, Ruiping; Gu, Xintong; Jin, Yingjiu; Qiao Zhang, Ying; Jin, Xing Ri; Zhang, Shou; Lee, YoungPak

2017-12-01

Unidirectional reflectionless phenomenon is theoretically investigated based on phase coupling in an ultracompact non-Hermitian plasmonic waveguide system, which consists of two metal-insulator-metal (MIM) stub resonators side coupled to a MIM plasmonic waveguide. By appropriately tuning the phase difference between two stub resonators, the reflectivity for forward direction reaches to 0.91 and backward direction is close to 0 at the exception point (EP), while the backward absorption reaches to 0.98 and the forward absorption is close to 0.05. Hence, the unidirectional coherent perfect absorption (CPA) is realized at the vicinity of EP. This work will provide potential applications in the filter, sensor, plasmonic diode-like device, and so on.

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

NASA Astrophysics Data System (ADS)

Riplinger, Christoph; Pinski, Peter; Becker, Ute; Valeev, Edward F.; Neese, Frank

2016-01-01

Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate previous implementation.

Comparison of Chemical Constituents in Scrophulariae Radix Processed by Different Methods based on UFLC-MS Combined with Multivariate Statistical Analysis.

PubMed

Wang, Shengnan; Hua, Yujiao; Zou, Lisi; Liu, Xunhong; Yan, Ying; Zhao, Hui; Luo, Yiyuan; Liu, Juanxiu

2018-02-01

Scrophulariae Radix is one of the most popular traditional Chinese medicines (TCMs). Primary processing of Scrophulariae Radix is an important link which closely related to the quality of products in this TCM. The aim of this study is to explore the influence of different processing methods on chemical constituents in Scrophulariae Radix. The difference of chemical constituents in Scrophulariae Radix processed by different methods was analyzed by using ultra fast liquid chromatography-triple quadrupole-time of flight mass spectrometry coupled with principal component analysis and orthogonal partial least squares discriminant analysis. Furthermore, the contents of 12 index differential constituents in Scrophulariae Radix processed by different methods were simultaneously determined by using ultra fast liquid chromatography coupled with triple quadrupole-linear ion trap mass spectrometry. Gray relational analysis was performed to evaluate the different processed samples according to the contents of 12 constituents. All of the results demonstrated that the quality of Scrophulariae Radix processed by "sweating" method was better. This study will provide the basic information for revealing the change law of chemical constituents in Scrophulariae Radix processed by different methods and facilitating selection of the suitable processing method of this TCM. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory.

PubMed

Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F; Neese, Frank

2017-04-28

The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N 6 ) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is necessary, which offers large computational savings. We show that, with the default PNO truncation parameters, approximately 99.9% of the total CCSD correlation energy is recovered for open-shell species, which is comparable to the performance of the method for closed-shells. UHF-DLPNO-CCSD shows a linear scaling behavior for closed-shell systems, while linear to quadratic scaling is obtained for open-shell systems. The largest systems we have considered contain more than 500 atoms and feature more than 10 000 basis functions with a triple-ζ quality basis set.

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory

NASA Astrophysics Data System (ADS)

Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F.; Neese, Frank

2017-04-01

The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N6) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is necessary, which offers large computational savings. We show that, with the default PNO truncation parameters, approximately 99.9% of the total CCSD correlation energy is recovered for open-shell species, which is comparable to the performance of the method for closed-shells. UHF-DLPNO-CCSD shows a linear scaling behavior for closed-shell systems, while linear to quadratic scaling is obtained for open-shell systems. The largest systems we have considered contain more than 500 atoms and feature more than 10 000 basis functions with a triple-ζ quality basis set.

Improvement in magnetic field immunity of externally-coupled transcutaneous energy transmission system for a totally implantable artificial heart.

PubMed

Yamamoto, Takahiko; Koshiji, Kohji; Homma, Akihiko; Tatsumi, Eisuke; Taenaka, Yoshiyuki

2008-01-01

Transcutaneous energy transmission (TET) that uses electromagnetic induction between the external and internal coils of a transformer is the most promising method to supply driving energy to a totally implantable artificial heart without invasion. Induction-heating (IH) cookers generate magnetic flux, and if a cooker is operated near a transcutaneous transformer, the magnetic flux generated will link with the external and internal coils of the transcutaneous transformer. This will affect the performance of the TET and the artificial heart system. Hence, it is necessary to improve the magnetic field immunity of the TET system. During operation of the system, if the transcutaneous transformer is in close proximity to an IH cooker, the electric power generated by the cooker and coupled to the transformer can drive the artificial heart system. To prevent this coupling, the external coil was shielded with a conductive shield that had a slit in it. This reduces the coupling between the transformer and the magnetic field generated by the induction cooker. However, the temperature of the shield increased due to heating by eddy currents. The temperature of the shield can be reduced by separating the IH cooker and the shield.

Prediction of high-frequency vibration transmission across coupled, periodic ribbed plates by incorporating tunneling mechanisms.

PubMed

Yin, Jianfei; Hopkins, Carl

2013-04-01

Prediction of structure-borne sound transmission on built-up structures at audio frequencies is well-suited to Statistical Energy Analysis (SEA) although the inclusion of periodic ribbed plates presents challenges. This paper considers an approach using Advanced SEA (ASEA) that can incorporate tunneling mechanisms within a statistical approach. The coupled plates used for the investigation form an L-junction comprising a periodic ribbed plate with symmetric ribs and an isotropic homogeneous plate. Experimental SEA (ESEA) is carried out with input data from Finite Element Methods (FEM). This indicates that indirect coupling is significant at high frequencies where bays on the periodic ribbed plate can be treated as individual subsystems. SEA using coupling loss factors from wave theory leads to significant underestimates in the energy of the bays when the isotropic homogeneous plate is excited. This is due to the absence of tunneling mechanisms in the SEA model. In contrast, ASEA shows close agreement with FEM and laboratory measurements. The errors incurred with SEA rapidly increase as the bays become more distant from the source subsystem. ASEA provides significantly more accurate predictions by accounting for the spatial filtering that leads to non-diffuse vibration fields on these more distant bays.

Convectively coupled Kelvin waves in aquachannel simulations: 2. Life cycle and dynamical-convective coupling

NASA Astrophysics Data System (ADS)

Blanco, Joaquín. E.; Nolan, David S.; Mapes, Brian E.

2016-10-01

This second part of a two-part study uses Weather Research and Forecasting simulations with aquachannel and aquapatch domains to investigate the time evolution of convectively coupled Kelvin waves (CCKWs). Power spectra, filtering, and compositing are combined with object-tracking methods to assess the structure and phase speed propagation of CCKWs during their strengthening, mature, and decaying phases. In this regard, we introduce an innovative approach to more closely investigate the wave (Kelvin) versus entity (super cloud cluster or "SCC") dualism. In general, the composite CCKW structures represent a dynamical response to the organized convective activity. However, pressure and thermodynamic fields in the boundary layer behave differently. Further analysis of the time evolution of pressure and low-level moist static energy finds that these fields propagate eastward as a "moist" Kelvin wave (MKW), faster than the envelope of organized convection or SCC. When the separation is sufficiently large the SCC dissipates, and a new SCC generates to the east, in the region of strongest negative pressure perturbations. We revisit the concept itself of the "coupling" between convection and dynamics, and we also propose a conceptual model for CCKWs, with a clear distinction between the SCC and the MKW components.

Load distribution on a closed-coupled wing canard at transonic speeds

NASA Technical Reports Server (NTRS)

Gloss, B. B.; Washburn, K. E.

1977-01-01

A wind tunnel test where load distributions were obtained at transonic speeds on both the canard and wing surfaces of a closely coupled wing canard configuration is reported. Detailed component and configuration arrangement studies to provide insight into the various aerodynamic interference effects for the leading edge vortex flow conditions encountered are included. Data indicate that increasing the Mach number from 0.70 to 0.95 caused the wing leading edge vortex to burst over the wing when the wing was in the presence of the high canard.

Closed inductively coupled plasma cell

DOEpatents

Manning, T.J.; Palmer, B.A.; Hof, D.E.

1990-11-06

A closed inductively coupled plasma cell generates a relatively high power, low noise plasma for use in spectroscopic studies is disclosed. A variety of gases can be selected to form the plasma to minimize spectroscopic interference and to provide a electron density and temperature range for the sample to be analyzed. Grounded conductors are placed at the tube ends and axially displaced from the inductive coil, whereby the resulting electromagnetic field acts to elongate the plasma in the tube. Sample materials can be injected in the plasma to be excited for spectroscopy. 1 fig.

Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces

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

Venghaus, Florian; Eisfeld, Wolfgang, E-mail: wolfgang.eisfeld@uni-bielefeld.de

2016-03-21

Robust diabatization techniques are key for the development of high-dimensional coupled potential energy surfaces (PESs) to be used in multi-state quantum dynamics simulations. In the present study we demonstrate that, besides the actual diabatization technique, common problems with the underlying electronic structure calculations can be the reason why a diabatization fails. After giving a short review of the theoretical background of diabatization, we propose a method based on the block-diagonalization to analyse the electronic structure data. This analysis tool can be used in three different ways: First, it allows to detect issues with the ab initio reference data and ismore » used to optimize the setup of the electronic structure calculations. Second, the data from the block-diagonalization are utilized for the development of optimal parametrized diabatic model matrices by identifying the most significant couplings. Third, the block-diagonalization data are used to fit the parameters of the diabatic model, which yields an optimal initial guess for the non-linear fitting required by standard or more advanced energy based diabatization methods. The new approach is demonstrated by the diabatization of 9 electronic states of the propargyl radical, yielding fully coupled full-dimensional (12D) PESs in closed form.« less

Weak interband-coupling superconductivity in the filled skutterudite LaPt4Ge12

NASA Astrophysics Data System (ADS)

Zhang, J. L.; Pang, G. M.; Jiao, L.; Nicklas, M.; Chen, Y.; Weng, Z. F.; Smidman, M.; Schnelle, W.; Leithe-Jasper, A.; Maisuradze, A.; Baines, C.; Khasanov, R.; Amato, A.; Steglich, F.; Gumeniuk, R.; Yuan, H. Q.

2015-12-01

The superconducting pairing state of LaPt4Ge12 is studied by measuring the magnetic penetration depth λ (T ,B ) and superfluid density ρs(T ) using a tunnel-diode-oscillator (TDO)-based method and transverse-field muon-spin rotation (TF -μ SR ) spectroscopy. The penetration depth follows an exponential-type temperature dependence at T ≪Tc , but increases linearly with magnetic field at T =1.5 K. A detailed analysis demonstrates that both λL(T ) and ρsTDO(T ) , measured in the Meissner state using the TDO method, are well described by a two-gap γ model with gap sizes of Δ1(0 ) =1.31 kBTc and Δ2(0 ) =1.80 kBTc , and weak interband coupling. In contrast, ρsμ SR(T ) , derived from the μ SR data, can be fitted by a single-gap BCS model with a gap close to Δ2(0 ) . We conclude that LaPt4Ge12 is a marginal two-gap superconductor and the small gap Δ1 seems to be suppressed by a small magnetic field applied in the μ SR experiments. In comparison, the 4 f electrons in PrPt4Ge12 may enhance the interband coupling and, therefore, give rise to more robust multiband superconductivity.

Relationship of Dyadic Closeness with Work-Related Stress: A Daily Diary Study

ERIC Educational Resources Information Center

Lavee, Yoav; Ben-Ari, Adital

2007-01-01

We examined the association between work-related stress of both spouses and daily fluctuations in their affective states and dyadic closeness. Daily diary data from 169 Israeli dual-earner couples were analyzed using multilevel modeling. The findings indicate that work stress has no direct effect on dyadic closeness but rather is mediated by the…

Pre-marital genetic counselling to consanguineous couples: attitudes, beliefs and decisions among counselled, noncounselled and unrelated couples in Israel.

PubMed

Shiloh, S; Reznik, H; Bat-Miriam-Katznelson, M; Goldman, B

1995-11-01

Semi-structured interviews were conducted with 65 Israeli subjects who received genetic counselling while considering marriage to a close relative, 40 subjects married to a close relative who did not receive pre-marital genetic counselling, and 125 controls married to a nonrelative and never having considered marrying a relative. It was found that 72% of the consanguineous couples who received pre-marital genetic counselling proceeded with their plans and married their relative; 86% of them reported that the counselling influenced their final decision to some degree. Counsellees' appraisals of genetic counselling revealed unfulfilled expectations to obtain more definitive answers, and mixed reactions to the nondirective approach applied by the counsellors. Comparisons between consanguineous and control couples revealed different views about consanguinity in general, and genetic risks in particular. Consanguineous couples, unlike controls, perceived consanguinity as an ordinary form of marriage, and had more favorable attitudes towards it. Compared to the noncounselled consanguineous group, consanguineous couples who received pre-marital genetic counselling had fewer children, estimated their genetic risk as lower but its subjective significance as higher, and perceived genetic disorders as more severe. The implications of these results are discussed from both theoretical and practical standpoints.

Drug screening in medical examiner casework by high-resolution mass spectrometry (UPLC-MSE-TOF).

PubMed

Rosano, Thomas G; Wood, Michelle; Ihenetu, Kenneth; Swift, Thomas A

2013-10-01

Postmortem drug findings yield important analytical evidence in medical examiner casework, and chromatography coupled with nominal mass spectrometry (MS) serves as the predominant general unknown screening approach. We report screening by ultra performance liquid chromatography (UPLC) coupled with hybrid quadrupole time-of-flight mass spectrometer (MS(E)-TOF), with comparison to previously validated nominal mass UPLC-MS and UPLC-MS-MS methods. UPLC-MS(E)-TOF screening for over 950 toxicologically relevant drugs and metabolites was performed in a full-spectrum (m/z 50-1,000) mode using an MS(E) acquisition of both molecular and fragment ion data at low (6 eV) and ramped (10-40 eV) collision energies. Mass error averaged 1.27 ppm for a large panel of reference drugs and metabolites. The limit of detection by UPLC-MS(E)-TOF ranges from 0.5 to 100 ng/mL and compares closely with UPLC-MS-MS. The influence of column recovery and matrix effect on the limit of detection was demonstrated with ion suppression by matrix components correlating closely with early and late eluting reference analytes. Drug and metabolite findings by UPLC-MS(E)-TOF were compared with UPLC-MS and UPLC-MS-MS analyses of postmortem blood in 300 medical examiner cases. Positive findings by all methods totaled 1,528, with a detection rate of 57% by UPLC-MS, 72% by UPLC-MS-MS and 80% by combined UPLC-MS and UPLC-MS-MS screening. Compared with nominal mass screening methods, UPLC-MS(E)-TOF screening resulted in a 99% detection rate and, in addition, offered the potential for the detection of nontargeted analytes via high-resolution acquisition of molecular and fragment ion data.

Rotational Energy Transfer of N2 Determined Using a New Ab Initio Potential Energy Surface

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Stallcop, James R.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

1997-01-01

A new N2-N2 rigid-rotor surface has been determined using extensive Ab Initio quantum chemistry calculations together with recent experimental data for the second virial coefficient. Rotational energy transfer is studied using the new potential energy surface (PES) employing the close coupling method below 200 cm(exp -1) and coupled state approximation above that. Comparing with a previous calculation based on the PES of van der Avoird et al.,3 it is found that the new PES generally gives larger cross sections for large (delta)J transitions, but for small (delta)J transitions the cross sections are either comparable or smaller. Correlation between the differences in the cross sections and the two PES will be attempted. The computed cross sections will also be compared with available experimental data.

Electron capture in collisions of N+ with H and H+ with N

NASA Astrophysics Data System (ADS)

Lin, C. Y.; Stancil, P. C.; Gu, J. P.; Buenker, R. J.; Kimura, M.

2005-06-01

Charge-transfer processes due to collisions of N+ with atomic hydrogen and H+ with atomic nitrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational couplings obtained with the multireference single- and double-excitation configuration interaction approach. Total and state-selective cross sections for the energy range 0.1meV/u-1keV/u are presented and compared with existing experimental and theoretical data. A large number of low-energy resonances are obtained for exoergic channels and near thresholds of endoergic channels. Rate coefficients are also obtained and comparison to previous calculations suggests nonadiabatic effects dominate for temperatures greater than 20 000 K, but that the spin-orbit interaction plays a major role for lower temperatures.

Phase-space methods for the spin dynamics in condensed matter systems

PubMed Central

Hurst, Jérôme; Manfredi, Giovanni

2017-01-01

Using the phase-space formulation of quantum mechanics, we derive a four-component Wigner equation for a system composed of spin- fermions (typically, electrons) including the Zeeman effect and the spin–orbit coupling. This Wigner equation is coupled to the appropriate Maxwell equations to form a self-consistent mean-field model. A set of semiclassical Vlasov equations with spin effects is obtained by expanding the full quantum model to first order in the Planck constant. The corresponding hydrodynamic equations are derived by taking velocity moments of the phase-space distribution function. A simple closure relation is proposed to obtain a closed set of hydrodynamic equations. This article is part of the themed issue ‘Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces’. PMID:28320903

Time-domain finite-difference based analysis of induced crosstalk in multiwall carbon nanotube interconnects

NASA Astrophysics Data System (ADS)

Kumar, Amit; Nehra, Vikas; Kaushik, Brajesh Kumar

2017-08-01

Graphene rolled-up cylindrical sheets i.e. carbon nanotubes (CNTs) is one of the finest and emerging research area. This paper presents the investigation of induced crosstalk in coupled on-chip multiwalled carbon nanotube (MWCNT) interconnects using finite-difference analysis (FDA) in time-domain i.e. the finite-difference time-domain (FDTD) method. The exceptional properties of versatile MWCNTs profess their candidacy to replace conventional on-chip copper interconnects. Time delay and crosstalk noise have been evaluated for coupled on-chip MWCNT interconnects. With a decrease in CNT length, the obtained results for an MWCNT shows that transmission performance improves as the number of shells increases. It has been observed that the obtained results using the finite-difference time domain (FDTD) technique shows a very close match with the HSPICE simulated results.

Determination of tetrabromobisphenol-A/S and their main derivatives in water samples by high performance liquid chromatography coupled with inductively coupled plasma tandem mass spectrometry.

PubMed

Liu, Lihong; Liu, Aifeng; Zhang, Qinghua; Shi, Jianbo; He, Bin; Yun, Zhaojun; Jiang, Guibin

2017-05-12

As the most widely used brominated flame retardants (BFRs), Tetrabromobisphenol-A (TBBPA) as well as its alternative Tetrabromobisphenol-S (TBBPS) and their derivatives have raised wide concerns due to their adverse effects on human health and hence the sensitive detection of those BFRs was urgently needed. Herein, a novel analytical method based on high-performance liquid chromatography (HPLC) coupled with inductively coupled plasma tandem mass spectrometry (ICP-MS/MS) has been developed for the determination of TBBPA/S and their derivatives, including TBBPA-bis(2-hydroxyethyl ether) (TBBPA-BHEE), TBBPA-bis(allylether) (TBBPA-BAE), TBBPA-bis(glycidyl ether) (TBBPA-BGE), TBBPA-bis(2,3-dibromopropyl ether) (TBBPA-BDBPE) and TBBPS-bis(2,3-dibromopropyl ether) (TBBPS-BDBPE) in water samples. After optimization, the TBBPA/S and their derivatives, especially the TBBPA-BAE and TBBPA-BDBPE were simultaneously and sensitively quantified by determination of bromine (m/z=79) by using the ICP-MS. The instrument limits of detection (LODs) for the TBBPA, TBBPA-BHEE, TBBPA-BGE, TBBPA-BAE, TBBPA-BDBPE, TBBPS and TBBPS-BDBPE were determined to be 0.12, 0.14, 0.19, 0.14, 0.12, 0.17 and 0.13μgL -1 , respectively, which was close to or much better than the reported methods. The relative standard deviations (RSDs, n=5) of peak area and retention time were better than 2.2% and 0.2% for intra-day analysis, indicating good repeatability and high precision. The proposed method had been successfully applied for the analysis of TBBPA/S and their derivatives in water samples with satisfactory recoveries (67.7%-113%). Copyright © 2017 Elsevier B.V. All rights reserved.

On the accuracy of explicitly correlated methods to generate potential energy surfaces for scattering calculations and clustering: application to the HCl-He complex.

PubMed

Ajili, Yosra; Hammami, Kamel; Jaidane, Nejm Eddine; Lanza, Mathieu; Kalugina, Yulia N; Lique, François; Hochlaf, Majdi

2013-07-07

We closely compare the accuracy of multidimensional potential energy surfaces (PESs) generated by the recently developed explicitly correlated coupled cluster (CCSD(T)-F12) methods in connection with the cc-pVXZ-F12 (X = D, T) and aug-cc-pVTZ basis sets and those deduced using the well-established orbital-based coupled cluster techniques employing correlation consistent atomic basis sets (aug-cc-pVXZ, X = T, Q, 5) and extrapolated to the complete basis set (CBS) limit. This work is performed on the benchmark rare gas-hydrogen halide interaction (HCl-He) system. These PESs are then incorporated into quantum close-coupling scattering dynamical calculations in order to check the impact of the accuracy of the PES on the scattering calculations. For this system, we deduced inelastic collisional data including (de-)excitation collisional and pressure broadening cross sections. Our work shows that the CCSD(T)-F12/aug-cc-pVTZ PES describes correctly the repulsive wall, the van der Waals minimum and long range internuclear distances whereas cc-pVXZ-F12 (X = D,T) basis sets are not diffuse enough for that purposes. Interestingly, the collision cross sections deduced from the CCSD(T)-F12/aug-cc-pVTZ PES are in excellent agreement with those obtained with CCSD(T)/CBS methodology. The position of the resonances and the general shape of these cross sections almost coincide. Since the cost of the electronic structure computations is reduced by several orders of magnitude when using CCSD(T)-F12/aug-cc-pVTZ compared to CCSD(T)/CBS methodology, this approach can be recommended as an alternative for generation of PESs of molecular clusters and for the interpretation of accurate scattering experiments as well as for a wide production of collisional data to be included in astrophysical and atmospherical models.

An emerging reactor technology for chemical synthesis: surface acoustic wave-assisted closed-vessel Suzuki coupling reactions.

PubMed

Kulkarni, Ketav; Friend, James; Yeo, Leslie; Perlmutter, Patrick

2014-07-01

In this paper we demonstrate the use of an energy-efficient surface acoustic wave (SAW) device for driving closed-vessel SAW-assisted (CVSAW), ligand-free Suzuki couplings in aqueous media. The reactions were carried out on a mmolar scale with low to ultra-low catalyst loadings. The reactions were driven by heating resulting from the penetration of acoustic energy derived from RF Raleigh waves generated by a piezoelectric chip via a renewable fluid coupling layer. The yields were uniformly high and the reactions could be executed without added ligand and in water. In terms of energy density this new technology was determined to be roughly as efficient as microwaves and superior to ultrasound. Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.

Coupled SPH-FV method with net vorticity and mass transfer

NASA Astrophysics Data System (ADS)

Chiron, L.; Marrone, S.; Di Mascio, A.; Le Touzé, D.

2018-07-01

Recently, an algorithm for coupling a Finite Volume (FV) method, that discretize the Navier-Stokes equations on block structured Eulerian grids, with the weakly-compressible Lagrangian Smoothed Particle Hydrodynamics (SPH) was presented in [16]. The algorithm takes advantage of the SPH method to discretize flow regions close to free-surfaces and of the FV method to resolve the bulk flow and the wall regions. The continuity between the two solutions is guaranteed by overlapping zones. Here we extend the algorithm by adding the possibility to have: 1) net mass transfer between the SPH and FV sub-domains; 2) free-surface across the overlapping region. In this context, particle generation at common boundaries is required to prevent depletion or clustering of particles. This operation is not trivial, because consistency between the Lagrangian and Eulerian description of the flow must be retained to ensure mass conservation. We propose here a new coupling paradigm that extends the algorithm developed in [16] and renders it suitable to test cases where vorticity and free surface significantly pass from one domain to the other. On the SPH side, a novel technique for the creation/deletion of particle was developed. On the FV side, the information recovered from the SPH solver are exploited to improve free surface prediction in a fashion that resemble the Particle Level-Set algorithms. The combination of the two new features was tested and validated in a number of test cases where both vorticity and front evolution are important. Convergence and robustness of the algorithm are shown.

Transverse Vibration of Tapered Single-Walled Carbon Nanotubes Embedded in Viscoelastic Medium

NASA Astrophysics Data System (ADS)

Lei, Y. J.; Zhang, D. P.; Shen, Z. B.

2017-12-01

Based on the nonlocal theory, Euler-Bernoulli beam theory and Kelvin viscoelastic foundation model, free transverse vibration is studied for a tapered viscoelastic single-walled carbon nanotube (visco-SWCNT) embedded in a viscoelastic medium. Firstly, the governing equations for vibration analysis are established. And then, we derive the natural frequencies in closed form for SWCNTs with arbitrary boundary conditions by applying transfer function method and perturbation method. Numerical results are also presented to discuss the effects of nonlocal parameter, relaxation time and taper parameter of SWCNTs, and material property parameters of the medium. This study demonstrates that the proposed model is available for vibration analysis of the tapered SWCNTs-viscoelastic medium coupling system.

Study and selection of in vivo protein interactions by coupling bimolecular fluorescence complementation and flow cytometry.

PubMed

Morell, Montse; Espargaro, Alba; Aviles, Francesc Xavier; Ventura, Salvador

2008-01-01

We present a high-throughput approach to study weak protein-protein interactions by coupling bimolecular fluorescent complementation (BiFC) to flow cytometry (FC). In BiFC, the interaction partners (bait and prey) are fused to two rationally designed fragments of a fluorescent protein, which recovers its function upon the binding of the interacting proteins. For weak protein-protein interactions, the detected fluorescence is proportional to the interaction strength, thereby allowing in vivo discrimination between closely related binders with different affinity for the bait protein. FC provides a method for high-speed multiparametric data acquisition and analysis; the assay is simple, thousands of cells can be analyzed in seconds and, if required, selected using fluorescence-activated cell sorting (FACS). The combination of both methods (BiFC-FC) provides a technically straightforward, fast and highly sensitive method to validate weak protein interactions and to screen and identify optimal ligands in biologically synthesized libraries. Once plasmids encoding the protein fusions have been obtained, the evaluation of a specific interaction, the generation of a library and selection of active partners using BiFC-FC can be accomplished in 5 weeks.

Quantum scattering calculations for ro-vibrational de-excitation of CO by hydrogen atoms

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

Song, Lei; Avoird, Ad van der; Karman, Tijs

2015-05-28

We present quantum-mechanical scattering calculations for ro-vibrational relaxation of carbon monoxide (CO) in collision with hydrogen atoms. Collisional cross sections of CO ro-vibrational transitions from v = 1, j = 0 − 30 to v′ = 0, j′ are calculated using the close coupling method for collision energies between 0.1 and 15 000 cm{sup −1} based on the three-dimensional potential energy surface of Song et al. [J. Phys. Chem. A 117, 7571 (2013)]. Cross sections of transitions from v = 1, j ≥ 3 to v′ = 0, j′ are reported for the first time at this level of theory. Alsomore » calculations by the more approximate coupled states and infinite order sudden (IOS) methods are performed in order to test the applicability of these methods to H–CO ro-vibrational inelastic scattering. Vibrational de-excitation rate coefficients of CO (v = 1) are presented for the temperature range from 100 K to 3000 K and are compared with the available experimental and theoretical data. All of these results and additional rate coefficients reported in a forthcoming paper are important for including the effects of H–CO collisions in astrophysical models.« less

Simultaneous separation and determination of six arsenic species in Shiitake (Lentinus edodes) mushrooms: Method development and applications.

PubMed

Chen, Shuangyang; Yuan, Biao; Xu, Jiajia; Chen, Guitang; Hu, Qiuhui; Zhao, Liyan

2018-10-01

A method for simultaneously separating six arsenic (As) species was established by ultrasound-assisted extraction-anion exchange chromatography coupled with inductively coupled plasma mass spectrometry. Six As species could be well separated within 15 min when 0.3 M acetic acid and 25 mM NH 4 H 2 PO 4 were used as the extraction solvent and mobile phase, respectively. Under optimized conditions, the limits of detection and recovery of As species and the relative standard deviation were in the ranges of 0.31-0.59 μg/L, 94.30-102.75%, and 1.63-3.72%, respectively. Furthermore, the established method was successfully applied to fresh Shiitake (Lentinus edodes) mushrooms and processed products. The inorganic As contents of all samples ranged from 0.204 to 0.500 mg/kg, half of samples (>0.400 mg/kg) were close to the maximum contaminant level allowed by the Chinese (0.5 mg/kg). The health risk index estimation results indicated that no particular risk of As exposure to Chinese consumers existed in L. edodes. Copyright © 2018 Elsevier Ltd. All rights reserved.

A project based on multi-configuration Dirac-Fock calculations for plasma spectroscopy

NASA Astrophysics Data System (ADS)

Comet, M.; Pain, J.-C.; Gilleron, F.; Piron, R.

2017-09-01

We present a project dedicated to hot plasma spectroscopy based on a Multi-Configuration Dirac-Fock (MCDF) code, initially developed by J. Bruneau. The code is briefly described and the use of the transition state method for plasma spectroscopy is detailed. Then an opacity code for local-thermodynamic-equilibrium plasmas using MCDF data, named OPAMCDF, is presented. Transition arrays for which the number of lines is too large to be handled in a Detailed Line Accounting (DLA) calculation can be modeled within the Partially Resolved Transition Array method or using the Unresolved Transition Arrays formalism in jj-coupling. An improvement of the original Partially Resolved Transition Array method is presented which gives a better agreement with DLA computations. Comparisons with some absorption and emission experimental spectra are shown. Finally, the capability of the MCDF code to compute atomic data required for collisional-radiative modeling of plasma at non local thermodynamic equilibrium is illustrated. In addition to photoexcitation, this code can be used to calculate photoionization, electron impact excitation and ionization cross-sections as well as autoionization rates in the Distorted-Wave or Close Coupling approximations. Comparisons with cross-sections and rates available in the literature are discussed.

Establishing human heart chromium, cobalt and vanadium concentrations by inductively coupled plasma mass spectrometry.

PubMed

Day, Patrick L; Eckdahl, Steven J; Maleszewski, Joseph J; Wright, Thomas C; Murray, David L

2017-05-01

Chromium, cobalt, and vanadium are used in metallic joint prosthesis. Case studies have associated elevated heart tissue cobalt concentrations with myocardial injury. To document the long term heart metal ion concentrations, a validated inductively coupled plasma mass spectroscopy (ICP-MS) method was needed. The method utilized a closed-vessel microwave digestion system to digest the samples. An ICP-MS method utilizing Universal Cell Technology was used to determine our target analyte concentrations. Accuracy was verified using reference materials. Precision, sensitivity, recovery and linearity studies were performed. This method was used to establish a reference range for a non-implant containing cohort of 80 autopsy human heart tissues RESULTS: This method demonstrated an analytic measurement range of 0.5-100ng/mL for each element. Accuracy was within ±10% of target value for each element. Within-run precision for each element was below 20% CV. The chromium, vanadium and cobalt concentrations (mean±SD) were 0.1523±0.2157μg/g, 0.0094±0.0211μg/g and 0.1039±0.1305μg/g respectively in 80 non-implant containing human heart tissue samples. This method provides acceptable recovery of the chromium, cobalt and vanadium in heart tissue; allowing assessment of the effects of metallic joint prosthesis on myocardial health. Copyright © 2017 Elsevier GmbH. All rights reserved.

Close partner as sculptor of the ideal self: behavioral affirmation and the Michelangelo phenomenon.

PubMed

Drigotas, S M; Rusbult, C E; Wieselquist, J; Whitton, S W

1999-08-01

This work incorporates concepts from the behavioral confirmation tradition, self tradition, and interdependence tradition to identify an interpersonal process termed the Michelangelo phenomenon. The Michelangelo phenomenon describes the means by which the self is shaped by a close partner's perceptions and behavior. Specifically, self movement toward the ideal self is described as a product of partner affirmation, or the degree to which a partner's perceptions of the self and behavior toward the self are congruent with the self's ideal. The results of 4 studies revealed strong associations between perceived partner affirmation and self movement toward the ideal self, using a variety of participant populations and measurement methods. In addition, perceived partner affirmation--particularly perceived partner behavioral affirmation--was strongly associated with quality of couple functioning and stability in ongoing relationships.

Scaling of mode shapes from operational modal analysis using harmonic forces

NASA Astrophysics Data System (ADS)

Brandt, A.; Berardengo, M.; Manzoni, S.; Cigada, A.

2017-10-01

This paper presents a new method for scaling mode shapes obtained by means of operational modal analysis. The method is capable of scaling mode shapes on any structure, also structures with closely coupled modes, and the method can be used in the presence of ambient vibration from traffic or wind loads, etc. Harmonic excitation can be relatively easily accomplished by using general-purpose actuators, also for force levels necessary for driving large structures such as bridges and highrise buildings. The signal processing necessary for mode shape scaling by the proposed method is simple and the method can easily be implemented in most measurement systems capable of generating a sine wave output. The tests necessary to scale the modes are short compared to typical operational modal analysis test time. The proposed method is thus easy to apply and inexpensive relative to some other methods for scaling mode shapes that are available in literature. Although it is not necessary per se, we propose to excite the structure at, or close to, the eigenfrequencies of the modes to be scaled, since this provides better signal-to-noise ratio in the response sensors, thus permitting the use of smaller actuators. An extensive experimental activity on a real structure was carried out and the results reported demonstrate the feasibility and accuracy of the proposed method. Since the method utilizes harmonic excitation for the mode shape scaling, we propose to call the method OMAH.

Minding the close relationship.

PubMed

Harvey, J H; Omarzu, J

1997-01-01

In this theoretical analysis, we argue that a process referred to as minding is essential for a couple to feel mutually close and satisfied in a close relationship over a long period Minding represents a package of mutual self-disclosure, other forms of goal-oriented behavior aimed at facilitating the relationship, and attributions about self's and other's motivations, intentions, and Mort in the relationship. Self-disclosure and attribution activities in minding are aimed at getting to know the other, trying to understand the other's motivations and deeper disposition as they pertain to the relationship, and showing respect and acceptance for knowledge gained about other. We link the concept of minding to other major ideas and literatures about how couples achieve closeness: self-disclosure and social penetration, intimacy, empathy and empathic accuracy, and love and self-expansion. We argue that the minding process articulated here has not previously been delineated and that it is a useful composite notion about essential steps in bonding among humans. We also argue that the minding concept stretches our understanding of the interface of attribution and close relationships. We present research possibilities and implications and consider possible alternative positions and counter arguments about the merits of the minding idea for close relationship satisfaction.

Electron impact excitation of the n = 2 to n = 3 transition in atomic hydrogen near threshold

NASA Astrophysics Data System (ADS)

Hata, J.; Morgan, L. A.; McDowell, M. R. C.

1980-06-01

Close-coupling calculations of electron impact excitation of the n = 2 to n = 3 transition of atomic hydrogen at energies below the n = 4 threshold are presented. The algebraic variational close-coupling code of Morgan (1980) with an eighteen-state basis was used to obtain cross sections at eight impact energies from 2.04 to 2.45 eV, and calculations in a six-state close-coupling model were compared with the six-state calculations of Burke et al. (1967). The six-state values are found to be in satisfactory agreement with the exception of the singlet contribution to the 2s-3s transition. Near the n = 3 threshold the cross section obtained in the full calculation is found to be almost a factor of 2 lower than that predicted by Johnson (1972), thus explaining in part the discrepancy between Johnson's results and experiments on hydrogen plasmas. Estimates of rate coefficients based on the cross sections and assuming a Maxwellian velocity distribution, however, are shown to remain in disagreement with experiment.

CLOSED-LOOP STRIPPING ANALYSIS (CLSA) OF ...

EPA Pesticide Factsheets

Synthetic musk compounds have been found in surface water, fish tissues, and human breast milk. Current techniques for separating these compounds from fish tissues require tedious sample clean-upprocedures A simple method for the deterrnination of these compounds in fish tissues has been developed. Closed-loop stripping of saponified fish tissues in a I -L Wheaton purge-and-trap vessel is used to strip compounds with high vapor pressures such as synthetic musks from the matrix onto a solid sorbent (Abselut Nexus). This technique is useful for screening biological tissues that contain lipids for musk compounds. Analytes are desorbed from the sorbent trap sequentially with polar and nonpolar solvents, concentrated, and directly analyzed by high resolution gas chromatography coupled to a mass spectrometer operating in the selected ion monitoring mode. In this paper, we analyzed two homogenized samples of whole fish tissues with spiked synthetic musk compounds using closed-loop stripping analysis (CLSA) and pressurized liquid extraction (PLE). The analytes were not recovered quantitatively but the extraction yield was sufficiently reproducible for at least semi-quantitative purposes (screening). The method was less expensive to implement and required significantly less sample preparation than the PLE technique. The research focused on in the subtasks is the development and application of state-of the-art technologies to meet the needs of the public, Office of Water,

Thermal transport in dimerized harmonic lattices: Exact solution, crossover behavior, and extended reservoirs

NASA Astrophysics Data System (ADS)

Chien, Chih-Chun; Kouachi, Said; Velizhanin, Kirill A.; Dubi, Yonatan; Zwolak, Michael

2017-01-01

We present a method for calculating analytically the thermal conductance of a classical harmonic lattice with both alternating masses and nearest-neighbor couplings when placed between individual Langevin reservoirs at different temperatures. The method utilizes recent advances in analytic diagonalization techniques for certain classes of tridiagonal matrices. It recovers the results from a previous method that was applicable for alternating on-site parameters only, and extends the applicability to realistic systems in which masses and couplings alternate simultaneously. With this analytic result in hand, we show that the thermal conductance is highly sensitive to the modulation of the couplings. This is due to the existence of topologically induced edge modes at the lattice-reservoir interface and is also a reflection of the symmetries of the lattice. We make a connection to a recent work that demonstrates thermal transport is analogous to chemical reaction rates in solution given by Kramers' theory [Velizhanin et al., Sci. Rep. 5, 17506 (2015)], 10.1038/srep17506. In particular, we show that the turnover behavior in the presence of edge modes prevents calculations based on single-site reservoirs from coming close to the natural—or intrinsic—conductance of the lattice. Obtaining the correct value of the intrinsic conductance through simulation of even a small lattice where ballistic effects are important requires quite large extended reservoir regions. Our results thus offer a route for both the design and proper simulation of thermal conductance of nanoscale devices.

Mutual caring of elderly Korean couples.

PubMed

Ahn, Taesung; Kim, Kwibun

2007-01-01

The article described the experiences of elderly couples caring for each other using ethnographic methodology. Ten couples were interviewed in depth. The presence of a support system was found to be the primary requirement of elderly couples. Three taxonomies comprised the support system: (a) desire for respect in care, (b) desire for reliance, and (c) expectation. The close linkage and interaction of desire for care, desire for reliance, and expectations were confirmed. The findings suggested establishing a holistic support network for these elders.

Nonlinear Decoupling Control With ANFIS-Based Unmodeled Dynamics Compensation for a Class of Complex Industrial Processes.

PubMed

Zhang, Yajun; Chai, Tianyou; Wang, Hong; Wang, Dianhui; Chen, Xinkai

2018-06-01

Complex industrial processes are multivariable and generally exhibit strong coupling among their control loops with heavy nonlinear nature. These make it very difficult to obtain an accurate model. As a result, the conventional and data-driven control methods are difficult to apply. Using a twin-tank level control system as an example, a novel multivariable decoupling control algorithm with adaptive neural-fuzzy inference system (ANFIS)-based unmodeled dynamics (UD) compensation is proposed in this paper for a class of complex industrial processes. At first, a nonlinear multivariable decoupling controller with UD compensation is introduced. Different from the existing methods, the decomposition estimation algorithm using ANFIS is employed to estimate the UD, and the desired estimating and decoupling control effects are achieved. Second, the proposed method does not require the complicated switching mechanism which has been commonly used in the literature. This significantly simplifies the obtained decoupling algorithm and its realization. Third, based on some new lemmas and theorems, the conditions on the stability and convergence of the closed-loop system are analyzed to show the uniform boundedness of all the variables. This is then followed by the summary on experimental tests on a heavily coupled nonlinear twin-tank system that demonstrates the effectiveness and the practicability of the proposed method.

Complementary methods for the determination of dissolved oxygen content in perfluorocarbon emulsions and other solutions.

PubMed

Fraker, Christopher A; Mendez, Armando J; Stabler, Cherie L

2011-09-08

Perfluorocarbons (PFCs) are compounds with increased oxygen solubility and effective diffusivity, making them ideal candidates for improving oxygen mass transfer in numerous biological applications. Historically, quantification of the mass transfer characteristics of these liquids has relied on the use of elaborate laboratory equipment and complicated methodologies, such as in-line gas chromatography coupled with temperature-controlled glass fritted diffusion cells. In this work, we present an alternative method for the determination of dissolved oxygen content in PFC emulsions and, by extrapolation, pure PFCs. We implemented a simple stirred oxygen consumption microchamber coupled with an enzymatic reaction for the quantitative determination of oxygen by optical density measurements. Chambers were also custom fitted with lifetime oxygen sensors to permit simultaneous measurement of internal chamber oxygen levels. Analyzing the consumption of oxygen during the enzymatic reaction via recorded oxygen depletion traces, we found a strong degree of correlation between the zero-order reaction rate and the total measured oxygen concentrations, relative to control solutions. The values obtained were in close agreement with published values in the literature, establishing the accuracy of this method. Overall, this method allows for easy, reliable, and reproducible measurements of oxygen content in aqueous solutions, including, but not limited to PFC emulsions.

A second-order multi-reference perturbation method for molecular vibrations

NASA Astrophysics Data System (ADS)

Mizukami, Wataru; Tew, David P.

2013-11-01

We present a general multi-reference framework for treating strong correlation in vibrational structure theory, which we denote the vibrational active space self-consistent field (VASSCF) approach. Active configurations can be selected according to excitation level or the degrees of freedom involved, or both. We introduce a novel state-specific second-order multi-configurational perturbation correction that accounts for the remaining weak correlation between the vibrational modes. The resulting VASPT2 method is capable of accurately and efficiently treating strong correlation in the form of large anharmonic couplings, at the same time as correctly resolving resonances between states. These methods have been implemented in our new dynamics package DYNAMOL, which can currently treat up to four-body Hamiltonian coupling terms. We present a pilot application of the VASPT2 method to the trans isomer of formic acid. We have constructed a new analytic potential that reproduces frozen core CCSD(T)(F12*)/cc-pVDZ-F12 energies to within 0.25% RMSD over the energy range 0-15 000 cm-1. The computed VASPT2 fundamental transition energies are accurate to within 9 cm-1 RMSD from experimental values, which is close to the accuracy one can expect from a CCSD(T) potential energy surface.

Closed-channel contribution in the BCS-BEC crossover regime of an ultracold Fermi gas with an orbital Feshbach resonance

NASA Astrophysics Data System (ADS)

Mondal, S.; Inotani, D.; Ohashi, Y.

2018-03-01

We theoretically investigate strong-coupling properties of an ultracold Fermi gas with an orbital Feshbach resonance (OFR). Including tunable pairing interaction associated with an OFR within the framework of the strong-coupling theory developed by Nozières and Schmitt-Rink (NSR), we examine the occupation of the closed channel. We show that, although the importance of the closed channel is characteristic of the system with an OFR, the occupation number of the closed channel is found to actually be very small at the superfluid phase transition temperature T c, in the whole BCS (Bardeen-Cooper-Schrieffer)-BEC (Bose-Einstein condensation) crossover region, when we use the scattering parameters for an ultracold 173Yb Fermi gas. The occupation of the closed channel increases with increasing the temperature above T c, which is more remarkable for a stronger pairing interaction. We also present a prescription to remove effects of an experimentally inaccessible deep bound state from the NSR formalism, which we meet when we theoretically deal with a 173Yb Fermi gas with an OFR.

Resonant Polarization Spectroscopy for Hot X-ray Plasmas

DOE PAGES

Chen, Guo -Xin

2016-04-28

X-ray line polarization spectroscopy is a method of choice for probing hot plasma conditions. The precise roles of resonant structures in this method have not been realized and fully understood. With a sophisticated relativistic close coupling Dirac R-matrix calculation of polarized radiation of the quadrupole magnetic M2 line at 2.717 Å in Ba 46+, we revealed the nature of resonant structures in x-ray line polarization spectroscopy. We found that signatures with a heavy resonance forest imprinting on polarization may be used for a sensitive new spectroscopic method. The resonant polarization spectrum was used to determine or constrain the directional beammore » electron distribution of the laboratory Ba plasma. Lastly, our results provide a start of resonant polarization spectroscopy as a method for diagnostics of laboratory, fusion and astrophysical plasma source conditions.« less

Optical Spectroscopy Of Charged Quantum Dot Molecules

NASA Astrophysics Data System (ADS)

Scheibner, M.; Bracker, A. S.; Stinaff, E. A.; Doty, M. F.; Gammon, D.; Ponomarev, I. V.; Reinecke, T. L.; Korenev, V. L.

2007-04-01

Coupling between two closely spaced quantum dots is observed by means of photoluminescence spectroscopy. Hole coupling is realized by rational crystal growth and heterostructure design. We identify molecular resonances of different excitonic charge states, including the important case of a doubly charged quantum dot molecule.

Coupled spin and electron-phonon interaction at the Tl/Si(111) surface from relativistic first-principles calculations

NASA Astrophysics Data System (ADS)

Garcia-Goiricelaya, Peio; Gurtubay, Idoia G.; Eiguren, Asier

2018-05-01

We investigate the role played by the electron spin and the spin-orbit interaction in the exceptional electron-phonon coupling at the Tl/Si(111) surface. Our first-principles calculations demonstrate that the particular spin pattern of this system dominates the whole low-energy electron-phonon physics, which is remarkably explained by forbidden spin-spin scattering channels. In particular, we show that the strength of the electron-phonon coupling appears drastically weakened for surface states close to the K ¯ and K'¯ valleys, which is unambiguously attributed to the spin polarization through the associated modulation due to the spinor overlaps. However, close to the Γ ¯ point, the particular spin pattern in this area is less effective in damping the electron-phonon matrix elements, and the result is an exceptional strength of the electron-phonon coupling parameter λ ˜1.4 . These results are rationalized by a simple model for the electron-phonon matrix elements including the spinor terms.

PARALLEL MEASUREMENT AND MODELING OF TRANSPORT IN THE DARHT II BEAMLINE ON ETA II

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

Chambers, F W; Raymond, B A; Falabella, S

To successfully tune the DARHT II transport beamline requires the close coupling of a model of the beam transport and the measurement of the beam observables as the beam conditions and magnet settings are varied. For the ETA II experiment using the DARHT II beamline components this was achieved using the SUICIDE (Simple User Interface Connecting to an Integrated Data Environment) data analysis environment and the FITS (Fully Integrated Transport Simulation) model. The SUICIDE environment has direct access to the experimental beam transport data at acquisition and the FITS predictions of the transport for immediate comparison. The FITS model ismore » coupled into the control system where it can read magnet current settings for real time modeling. We find this integrated coupling is essential for model verification and the successful development of a tuning aid for the efficient convergence on a useable tune. We show the real time comparisons of simulation and experiment and explore the successes and limitations of this close coupled approach.« less

Investigation of marine stratocumulus under coupled and decoupled conditions over the arm Azores site

NASA Astrophysics Data System (ADS)

Schwantes, Adam Christopher

Stratocumuli are a type of low clouds composed of individual convective elements that together form a continuous layer of clouds. Stratocumuli cover large regions of the Earth's surface, which make them important components in the Earth's radiation budget. Stratocumuli strongly reflect solar shortwave radiation, while weakly affecting outgoing longwave radiation. This leads to a strong radiative cooling effect that affects the Earth's radiation budget. Therefore it is important to investigate the mechanisms that affect the longevity of stratocumuli, so that their impact on the Earth's radiation budget can be fully understood. One mechanism that is currently being studied as influencing the lifetime of such cloud layers is boundary layer/surface coupling. It has been shown than in some regions (i.e. the west coast of South America) stratocumuli tend to break up when the boundary layer is decoupled with the surface, because they are cut off from their moisture source. This study will investigate the macro- and micro-physical properties of stratocumuli when boundary layers are either coupled to or decoupled from the surface. This will help advance understanding of the effects these macro- and micro-physical properties have on the lifetime of stratocumuli under different boundary layer conditions. This study used the Department of Energy Atmospheric Radiation Measurement (DOE ARM) mobile measurements facility (AMF) at the Azores site from June 2009 to December 2010. The measurements that were used include temperature profiles from radiosondes, cloud liquid water path (LWP) retrieved from the Microwave radiometer, and cloud base and top heights derived from W-band ARM Cloud Radar and lidar. Satellite images provided by the NASA Langley Research Center were also used to visually decipher cloud types over the region so that only single-layered stratocumuli cases are used in the study. To differentiate between coupled and decoupled cloud layers, two methods are used. The first method compares cloud base height and lifting condensation level (LCL) for surface air parcels. The second method uses potential temperature profiles to indicate whether a boundary layer is coupled or decoupled from the surface. The results from these two methods were then compared using select cases/samples when both methods classified a sample as coupled or decoupled. In this study, a total of seven coupled or decoupled cases (2-3 days long each) have been selected from the 19 month AMF dataset. Characteristics of the coupled and decoupled cases have been studied to identify similarities and differences. Furthermore, comparison results from this study have shown that there are similarities and differences between drizzling/non-drizzling stratocumulus clouds and decoupled/coupled stratocumulus clouds. Drizzling/decoupled stratocumuli tend to have higher LWP, cloud-droplet effective radius (re), cloud-top height, and cloud thickness values while non-drizzling/coupled stratocumuli have higher cloud-droplet number concentration (Nd) and cloud condensation nuclei concentration (NCCN) values. It was also determined that during daytime hours when stratocumuli are decoupled, they tend to be open cells, while coupled stratocumuli tend to be closed cells. Finally, decoupled nighttime stratocumuli were found to have higher LWPs compared to decoupled daytime stratocumuli, which resulted in the significant amount of heavy drizzle events occurring at night.

Aerodynamic excitation and sound production of blown-closed free reeds without acoustic coupling: the example of the accordion reed.

PubMed

Ricot, Denis; Caussé, René; Misdariis, Nicolas

2005-04-01

The accordion reed is an example of a blown-closed free reed. Unlike most oscillating valves in wind musical instruments, self-sustained oscillations occur without acoustic coupling. Flow visualizations and measurements in water show that the flow can be supposed incompressible and potential. A model is developed and the solution is calculated in the time domain. The excitation force is found to be associated with the inertial load of the unsteady flow through the reed gaps. Inertial effect leads to velocity fluctuations in the reed opening and then to an unsteady Bernoulli force. A pressure component generated by the local reciprocal air movement around the reed is added to the modeled aerodynamic excitation pressure. Since the model is two-dimensional, only qualitative comparisons with air flow measurements are possible. The agreement between the simulated pressure waveforms and measured pressure in the very near-field of the reed is reasonable. In addition, an aeroacoustic model using the permeable Ffowcs Williams-Hawkings integral method is presented. The integral expressions of the far-field acoustic pressure are also computed in the time domain. In agreement with experimental data, the sound is found to be dominated by the dipolar source associated by the strong momentum fluctuations of the flow through the reed gaps.

Aerodynamic excitation and sound production of blown-closed free reeds without acoustic coupling: The example of the accordion reed

NASA Astrophysics Data System (ADS)

Ricot, Denis; Caussé, René; Misdariis, Nicolas

2005-04-01

The accordion reed is an example of a blown-closed free reed. Unlike most oscillating valves in wind musical instruments, self-sustained oscillations occur without acoustic coupling. Flow visualizations and measurements in water show that the flow can be supposed incompressible and potential. A model is developed and the solution is calculated in the time domain. The excitation force is found to be associated with the inertial load of the unsteady flow through the reed gaps. Inertial effect leads to velocity fluctuations in the reed opening and then to an unsteady Bernoulli force. A pressure component generated by the local reciprocal air movement around the reed is added to the modeled aerodynamic excitation pressure. Since the model is two-dimensional, only qualitative comparisons with air flow measurements are possible. The agreement between the simulated pressure waveforms and measured pressure in the very near-field of the reed is reasonable. In addition, an aeroacoustic model using the permeable Ffowcs Williams-Hawkings integral method is presented. The integral expressions of the far-field acoustic pressure are also computed in the time domain. In agreement with experimental data, the sound is found to be dominated by the dipolar source associated by the strong momentum fluctuations of the flow through the reed gaps. .

Breakup and fusion cross sections of the 6Li nucleus with targets of mass A = 58, 144 and 208

NASA Astrophysics Data System (ADS)

Mukeru, B.; Rampho, G. J.; Lekala, M. L.

2018-04-01

We use the continuum discretized coupled channels method to investigate the effects of continuum-continuum coupling on the breakup and fusion cross sections of the weakly bound 6Li nucleus with the 58Ni, 144Sm and 208Pb nuclear targets. The cross sections were analyzed at incident energies E cm below, close to and above the Coulomb barrier V B. We found that for the medium and heavy targets, the breakup cross sections are enhanced at energies below the Coulomb barrier (E cm/V B ≤ 0.8) owing to these couplings. For the lighter target, relatively small enhancement of the breakup cross sections appear at energies well below the barrier (E cm/V B ≤ 0.6). At energies E cm/V B > 0.8 for medium and heavy targets, and E cm/V B > 0.6 for the light target, the continuum-continuum couplings substantially suppress the breakup cross sections. On the other hand, the fusion cross sections are enhanced at energies E cm/V B < 1.4, E cm/V B < 1.2 and E cm/V B < 0.8 for the light, medium and heavy target, respectively. The enhancement decreases as the target mass increases. Above the indicated respective energies, these couplings suppress the fusion cross sections. We also compared the breakup and fusion cross sections, and found that below the barrier, the breakup cross sections are more dominant regardless of whether continuum-continuum couplings are included.

Broadening of the R(0) and P(2) Lines in the 13CO Fundamental by Helium Atoms from 300 K down to 12 K: Measurements and Comparison with Close-Coupling Calculations

NASA Technical Reports Server (NTRS)

Thibault, F.; Mantz, A. W.; Claveau, C.; Valentin, A.; Hurtmans, D.

2007-01-01

We present measurements of He-broadening parameters for the R(0) and O(2) lines in the fundamental band of 13CO at different temperatures between 12K and room temperature. The broadening parameters are determined, taking into account confinement narrowing, by simultaneous least-squares fitting of spectra recorded using a frequency stabilized diode laser spectrometer. The pressure broadening cross sections are deduced and compared to close-coupling calculations and earlier results obtained for rotational transitions of 12 CO.

Quantum phase transition in dimerised spin-1/2 chains

NASA Astrophysics Data System (ADS)

Das, Aparajita; Bhadra, Sreeparna; Saha, Sonali

2015-11-01

Quantum phase transition in dimerised antiferromagnetic Heisenberg spin chain has been studied. A staircase structure in the variation of concurrence within strongly coupled pairs with that of external magnetic field has been observed indicating multiple critical (or critical like) points. Emergence of entanglement due to external magnetic field or magnetic entanglement is observed for weakly coupled spin pairs too in the same dimer chain. Though closed dimerised isotropic XXX Heisenberg chains with different dimer strengths were mainly explored, analogous studies on open chains as well as closed anisotropic (XX interaction) chains with tilted external magnetic field have also been studied.

Self-balanced modulation and magnetic rebalancing method for parallel multilevel inverters

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

Li, Hui; Shi, Yanjun

A self-balanced modulation method and a closed-loop magnetic flux rebalancing control method for parallel multilevel inverters. The combination of the two methods provides for balancing of the magnetic flux of the inter-cell transformers (ICTs) of the parallel multilevel inverters without deteriorating the quality of the output voltage. In various embodiments a parallel multi-level inverter modulator is provide including a multi-channel comparator to generate a multiplexed digitized ideal waveform for a parallel multi-level inverter and a finite state machine (FSM) module coupled to the parallel multi-channel comparator, the FSM module to receive the multiplexed digitized ideal waveform and to generate amore » pulse width modulated gate-drive signal for each switching device of the parallel multi-level inverter. The system and method provides for optimization of the output voltage spectrum without influence the magnetic balancing.« less

Macroscopic self-oscillations and aging transition in a network of synaptically coupled quadratic integrate-and-fire neurons.

PubMed

Ratas, Irmantas; Pyragas, Kestutis

2016-09-01

We analyze the dynamics of a large network of coupled quadratic integrate-and-fire neurons, which represent the canonical model for class I neurons near the spiking threshold. The network is heterogeneous in that it includes both inherently spiking and excitable neurons. The coupling is global via synapses that take into account the finite width of synaptic pulses. Using a recently developed reduction method based on the Lorentzian ansatz, we derive a closed system of equations for the neuron's firing rate and the mean membrane potential, which are exact in the infinite-size limit. The bifurcation analysis of the reduced equations reveals a rich scenario of asymptotic behavior, the most interesting of which is the macroscopic limit-cycle oscillations. It is shown that the finite width of synaptic pulses is a necessary condition for the existence of such oscillations. The robustness of the oscillations against aging damage, which transforms spiking neurons into nonspiking neurons, is analyzed. The validity of the reduced equations is confirmed by comparing their solutions with the solutions of microscopic equations for the finite-size networks.

Utility of the CS and IOS approximations for calculating generalized phenomenological cross sections in atom-diatom systems

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

Fitz, D.E.; Kouri, D.J.; Liu, W.K.

1982-04-01

The calculation of shear viscosity and thermal conductivity coefficients in the presence of a magnetic field requires the accurate calculation of several types of generalized phenomenological cross sections in which velocity and angular momentum tensors are coupled with the orbital and rotational motion of the system. These cross sections are then averaged over energy in a fashion appropriate for the phenomenon of interest. The coupled states (CS) and/or infinite order sudden (IOS) approximations have been used to calculate several such cross sections for systems such as He-HCl, He-CO, He-H/sub 2/, HD-Ne, Ar-N/sub 2/, and Ne-H/sub 2/. Excellent results are obtainedmore » compared with close-coupled methods for cross sections which are symmetric in tensor index, especially in the CS approximation, and these results are not very sensitive to the choice of orbital wave parameter. On the other hand, the cross sections which are asymmetric in tensor index are much more sensitive to interference effects and are unsatisfactory in many cases.« less

Model for calorimetric measurements in an open quantum system

NASA Astrophysics Data System (ADS)

Donvil, Brecht; Muratore-Ginanneschi, Paolo; Pekola, Jukka P.; Schwieger, Kay

2018-05-01

We investigate the experimental setup proposed in New J. Phys. 15, 115006 (2013), 10.1088/1367-2630/15/11/115006 for calorimetric measurements of thermodynamic indicators in an open quantum system. As a theoretical model we consider a periodically driven qubit coupled with a large yet finite electron reservoir, the calorimeter. The calorimeter is initially at equilibrium with an infinite phonon bath. As time elapses, the temperature of the calorimeter varies in consequence of energy exchanges with the qubit and the phonon bath. We show how under weak-coupling assumptions, the evolution of the qubit-calorimeter system can be described by a generalized quantum jump process including as dynamical variable the temperature of the calorimeter. We study the jump process by numeric and analytic methods. Asymptotically with the duration of the drive, the qubit-calorimeter attains a steady state. In this same limit, we use multiscale perturbation theory to derive a Fokker-Planck equation governing the calorimeter temperature distribution. We inquire the properties of the temperature probability distribution close and at the steady state. In particular, we predict the behavior of measurable statistical indicators versus the qubit-calorimeter coupling constant.

Modulational instability and discrete breathers in a nonlinear helicoidal lattice model

NASA Astrophysics Data System (ADS)

Ding, Jinmin; Wu, Tianle; Chang, Xia; Tang, Bing

2018-06-01

We investigate the problem on the discrete modulation instability of plane waves and discrete breather modes in a nonlinear helicoidal lattice model, which is described by a discrete nonlinear Schrödinger equation with the first-, second-, and third-neighbor coupling. By means of the linear stability analysis, we present an analytical expression of the instability growth rate and identify the regions of modulational instability of plane waves. It is shown that the introduction of the third-neighbor coupling will affect the shape of the areas of modulational instability significantly. Based on the results obtained by the modulational instability analysis, we predict the existence conditions for the stationary breather modes. Otherwise, by making use of the semidiscrete multiple-scale method, we obtain analytical solutions of discrete breather modes and analyze their properties for different types of nonlinearities. Our results show that the discrete breathers obtained are stable for a long time only when the system exhibits the repulsive nonlinearity. In addition, it is found that the existence of the stable bright discrete breather closely relates to the presence of the third-neighbor coupling.

Neural network-based sliding mode control for atmospheric-actuated spacecraft formation using switching strategy

NASA Astrophysics Data System (ADS)

Sun, Ran; Wang, Jihe; Zhang, Dexin; Shao, Xiaowei

2018-02-01

This paper presents an adaptive neural networks-based control method for spacecraft formation with coupled translational and rotational dynamics using only aerodynamic forces. It is assumed that each spacecraft is equipped with several large flat plates. A coupled orbit-attitude dynamic model is considered based on the specific configuration of atmospheric-based actuators. For this model, a neural network-based adaptive sliding mode controller is implemented, accounting for system uncertainties and external perturbations. To avoid invalidation of the neural networks destroying stability of the system, a switching control strategy is proposed which combines an adaptive neural networks controller dominating in its active region and an adaptive sliding mode controller outside the neural active region. An optimal process is developed to determine the control commands for the plates system. The stability of the closed-loop system is proved by a Lyapunov-based method. Comparative results through numerical simulations illustrate the effectiveness of executing attitude control while maintaining the relative motion, and higher control accuracy can be achieved by using the proposed neural-based switching control scheme than using only adaptive sliding mode controller.

An algorithm for the design and tuning of RF accelerating structures with variable cell lengths

NASA Astrophysics Data System (ADS)

Lal, Shankar; Pant, K. K.

2018-05-01

An algorithm is proposed for the design of a π mode standing wave buncher structure with variable cell lengths. It employs a two-parameter, multi-step approach for the design of the structure with desired resonant frequency and field flatness. The algorithm, along with analytical scaling laws for the design of the RF power coupling slot, makes it possible to accurately design the structure employing a freely available electromagnetic code like SUPERFISH. To compensate for machining errors, a tuning method has been devised to achieve desired RF parameters for the structure, which has been qualified by the successful tuning of a 7-cell buncher to π mode frequency of 2856 MHz with field flatness <3% and RF coupling coefficient close to unity. The proposed design algorithm and tuning method have demonstrated the feasibility of developing an S-band accelerating structure for desired RF parameters with a relatively relaxed machining tolerance of ∼ 25 μm. This paper discusses the algorithm for the design and tuning of an RF accelerating structure with variable cell lengths.

Structure prediction of the second extracellular loop in G-protein-coupled receptors.

PubMed

Kmiecik, Sebastian; Jamroz, Michal; Kolinski, Michal

2014-06-03

G-protein-coupled receptors (GPCRs) play key roles in living organisms. Therefore, it is important to determine their functional structures. The second extracellular loop (ECL2) is a functionally important region of GPCRs, which poses significant challenge for computational structure prediction methods. In this work, we evaluated CABS, a well-established protein modeling tool for predicting ECL2 structure in 13 GPCRs. The ECL2s (with between 13 and 34 residues) are predicted in an environment of other extracellular loops being fully flexible and the transmembrane domain fixed in its x-ray conformation. The modeling procedure used theoretical predictions of ECL2 secondary structure and experimental constraints on disulfide bridges. Our approach yielded ensembles of low-energy conformers and the most populated conformers that contained models close to the available x-ray structures. The level of similarity between the predicted models and x-ray structures is comparable to that of other state-of-the-art computational methods. Our results extend other studies by including newly crystallized GPCRs. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Validation of an analytical method based on the high-resolution continuum source flame atomic absorption spectrometry for the fast-sequential determination of several hazardous/priority hazardous metals in soil

PubMed Central

2013-01-01

Background The aim of this paper was the validation of a new analytical method based on the high-resolution continuum source flame atomic absorption spectrometry for the fast-sequential determination of several hazardous/priority hazardous metals (Ag, Cd, Co, Cr, Cu, Ni, Pb and Zn) in soil after microwave assisted digestion in aqua regia. Determinations were performed on the ContrAA 300 (Analytik Jena) air-acetylene flame spectrometer equipped with xenon short-arc lamp as a continuum radiation source for all elements, double monochromator consisting of a prism pre-monocromator and an echelle grating monochromator, and charge coupled device as detector. For validation a method-performance study was conducted involving the establishment of the analytical performance of the new method (limits of detection and quantification, precision and accuracy). Moreover, the Bland and Altman statistical method was used in analyzing the agreement between the proposed assay and inductively coupled plasma optical emission spectrometry as standardized method for the multielemental determination in soil. Results The limits of detection in soil sample (3σ criterion) in the high-resolution continuum source flame atomic absorption spectrometry method were (mg/kg): 0.18 (Ag), 0.14 (Cd), 0.36 (Co), 0.25 (Cr), 0.09 (Cu), 1.0 (Ni), 1.4 (Pb) and 0.18 (Zn), close to those in inductively coupled plasma optical emission spectrometry: 0.12 (Ag), 0.05 (Cd), 0.15 (Co), 1.4 (Cr), 0.15 (Cu), 2.5 (Ni), 2.5 (Pb) and 0.04 (Zn). Accuracy was checked by analyzing 4 certified reference materials and a good agreement for 95% confidence interval was found in both methods, with recoveries in the range of 94–106% in atomic absorption and 97–103% in optical emission. Repeatability found by analyzing real soil samples was in the range 1.6–5.2% in atomic absorption, similar with that of 1.9–6.1% in optical emission spectrometry. The Bland and Altman method showed no statistical significant difference between the two spectrometric methods for 95% confidence interval. Conclusions High-resolution continuum source flame atomic absorption spectrometry can be successfully used for the rapid, multielemental determination of hazardous/priority hazardous metals in soil with similar analytical performances to those in inductively coupled plasma optical emission spectrometry. PMID:23452327

Validation of an analytical method based on the high-resolution continuum source flame atomic absorption spectrometry for the fast-sequential determination of several hazardous/priority hazardous metals in soil.

PubMed

Frentiu, Tiberiu; Ponta, Michaela; Hategan, Raluca

2013-03-01

The aim of this paper was the validation of a new analytical method based on the high-resolution continuum source flame atomic absorption spectrometry for the fast-sequential determination of several hazardous/priority hazardous metals (Ag, Cd, Co, Cr, Cu, Ni, Pb and Zn) in soil after microwave assisted digestion in aqua regia. Determinations were performed on the ContrAA 300 (Analytik Jena) air-acetylene flame spectrometer equipped with xenon short-arc lamp as a continuum radiation source for all elements, double monochromator consisting of a prism pre-monocromator and an echelle grating monochromator, and charge coupled device as detector. For validation a method-performance study was conducted involving the establishment of the analytical performance of the new method (limits of detection and quantification, precision and accuracy). Moreover, the Bland and Altman statistical method was used in analyzing the agreement between the proposed assay and inductively coupled plasma optical emission spectrometry as standardized method for the multielemental determination in soil. The limits of detection in soil sample (3σ criterion) in the high-resolution continuum source flame atomic absorption spectrometry method were (mg/kg): 0.18 (Ag), 0.14 (Cd), 0.36 (Co), 0.25 (Cr), 0.09 (Cu), 1.0 (Ni), 1.4 (Pb) and 0.18 (Zn), close to those in inductively coupled plasma optical emission spectrometry: 0.12 (Ag), 0.05 (Cd), 0.15 (Co), 1.4 (Cr), 0.15 (Cu), 2.5 (Ni), 2.5 (Pb) and 0.04 (Zn). Accuracy was checked by analyzing 4 certified reference materials and a good agreement for 95% confidence interval was found in both methods, with recoveries in the range of 94-106% in atomic absorption and 97-103% in optical emission. Repeatability found by analyzing real soil samples was in the range 1.6-5.2% in atomic absorption, similar with that of 1.9-6.1% in optical emission spectrometry. The Bland and Altman method showed no statistical significant difference between the two spectrometric methods for 95% confidence interval. High-resolution continuum source flame atomic absorption spectrometry can be successfully used for the rapid, multielemental determination of hazardous/priority hazardous metals in soil with similar analytical performances to those in inductively coupled plasma optical emission spectrometry.

Magnetic self-assembly for the synthesis of magnetically exchange coupled MnBi/Fe–Co composites

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

Xu, Xia; Hong, Yang-Ki, E-mail: ykhong@eng.ua.edu; Park, Jihoon

2015-11-15

Exchange coupled hard/soft MnBi/Fe–Co core/shell structured composites were synthesized using a magnetic self-assembly process. MnBi particles were prepared by arc-melting, and Fe–Co nanoparticles were synthesized by an oleic acid assisted chemical reduction method. Grinding a mixture of micron-sized MnBi and Fe–Co nanoparticles in hexane resulted in MnBi/Fe–Co core/shell structured composites. The MnBi/Fe–Co (95/5 wt%) composites showed smooth magnetic hysteresis loops, enhanced remanent magnetization, and positive values in the ΔM curve, indicating exchange coupling between MnBi and Fe–Co particles. - Graphical abstract: Both MnBi and Fe–Co particles were dispersed in hexane for grinding. Because of the oleic acid used during themore » Fe–Co nanoparticle synthesis, they could be well dispersed in hexane. During the grinding, the size of MnBi particles was decreased, hexane was evaporated, and the Fe–Co nanoparticles were concentrated in the solvent and magnetically attracted by MnBi particles, forming a core/shell structure. - Highlights: • Exchange coupled MnBi/Fe–Co composites are synthesized through magnetic selfassembly. • Magnetic exchange coupling is demonstrated by smooth magnetic hysteresis loops, enhanced remanent magnetization, and dominant positive peak in the ΔM curve. • The experimental results in magnetic properties are close to the theoretical calculation results.« less

Comparative evaluation of GFAAS and ICP-MS for analyses of cadmium in blood.

PubMed

Fukui, Yoshinari; Ohashi, Fumiko; Sakuragi, Sonoko; Moriguchi, Jiro; Ikeda, Masayuki

2011-01-01

Cadmium in blood (Cd-B) is an important indicator, next to Cd in urine, in biological monitoring of exposure to Cd. The present study was initiated to examine compatibility in results of analysis for Cd-B between graphite furnace atomic absorption spectrophotometry (GFAAS) and inductively-coupled plasma mass-spectrometry (ICP-MS). For this purpose, 1,159 blood samples were collected from adult women (with no occupational exposure to Cd) in eight prefectures nation-widely in Japan. The samples were analyzed by the two methods; geometric mean (the maximum) concentrations were 1.22 (6.90) μg/l by ICP-MS, and 1.47 (7.40) μg/l by GFAAS. Statistical analyses showed that there was a close correlation between the results by the two methods. The regression line (with ICP-MS and GFAAS results as an independent variable and a dependent variable, respectively) had a slope close to one and an intercept next to zero to suggest that ICP-MS gave values compatible with that of GFAAS. Further analysis with the ratio of Cd-B by GFAAS over that by ICP-MS revealed that the two results were close to each other, and that the agreement was even closer when Cd-B was >2 μg/l. Thus, the two methods can be employed inter-convertibly when Cd-B is relatively high, e.g. >2 μg/l. Care may need to be practiced, however, for possible 'between methods' difference when Cd-B is low, e.g., ≤2 μg/l.

Scalar-tensor theory of gravitation with negative coupling constant

NASA Technical Reports Server (NTRS)

Smalley, L. L.; Eby, P. B.

1976-01-01

The possibility of a Brans-Dicke scalar-tensor gravitation theory with a negative coupling constant is considered. The admissibility of a negative-coupling theory is investigated, and a simplified cosmological solution is obtained which allows a negative derivative of the gravitation constant. It is concluded that a Brans-Dicke theory with a negative coupling constant can be a viable alternative to general relativity and that a large negative value for the coupling constant seems to bring the original scalar-tensor theory into close agreement with perihelion-precession results in view of recent observations of small solar oblateness.

Plasmon-Exciton Coupling Interaction for Surface Catalytic Reactions.

PubMed

Wang, Jingang; Lin, Weihua; Xu, Xuefeng; Ma, Fengcai; Sun, Mengtao

2018-05-01

In this review, we firstly reveal the physical principle of plasmon-exciton coupling interaction with steady absorption spectroscopy, and ultrafast transition absorption spectroscopy, based on the pump-prop technology. Secondly, we introduce the fabrication of electro-optical device of two-dimensional semiconductor-nanostructure noble metals hybrid, based on the plasmon-exciton coupling interactions. Thirdly, we introduce the applications of plasmon-exciton coupling interaction in the field of surface catalytic reactions. Lastly, the perspective of plasmon-exciton coupling interaction and applications closed this review. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phonon coupling in optical transitions for singlet-triplet pairs of bound excitons in semiconductors

NASA Astrophysics Data System (ADS)

Pistol, M. E.; Monemar, B.

1986-05-01

A model is presented for the observed strong difference in selection rules for coupling of phonons in the one-phonon sideband of optical spectra related to bound excitons in semiconductors. The present treatment is specialized to the case of a closely spaced pair of singlet-triplet character as the lowest electronic states, as is common for bound excitons associated with neutral complexes in materials like GaP and Si. The optical transition for the singlet bound-exciton state is found to couple strongly only to symmetric A1 modes. The triplet state has a similar coupling strength to A1 modes, but in addition strong contributions are found for replicas corresponding to high-density-of-states phonons TAX, LAX, and TOX. This can be explained by a treatment of particle-phonon coupling beyond the ordinary adiabatic approximation. A weak mixing between the singlet and triplet states is mediated by the phonon coupling, as described in first-order perturbation theory. The model derived in this work, for such phonon-induced mixing of closely spaced electronic states, is shown to explain the observed phonon coupling for several bound-exciton systems of singlet-triplet character in GaP. In addition, the observed oscillator strength of the forbidden triplet state may be explained as partly derived from phonon-induced mixing with the singlet state, which has a much larger oscillator strength.

Self-closing shielded container for use with radioactive materials

DOEpatents

Smith, Jay E.

1984-01-01

A container for storage of radioactive material comprising a container body nd a closure member. The closure member being coupled to the container body to enable the closure body to move automatically from a first position (e.g., closed) to a second position (open).

Self-closing shielded container for use with radioactive materials

DOEpatents

Smith, J.E.

A container for storage of radioactive material comprises a container body and a closure member. The closure member is coupled to the container body to enable the closure body to move automatically from a first position (e.g., closed) to a second position (open).

Observation of EIA in closed and open caesium atomic system

NASA Astrophysics Data System (ADS)

Zhao, Jian-Ming; Zhao, Yan-Ting; Huang, Tao; Xiao, Lian-Tuan; Jia, Suo-Tang

2005-04-01

We present an experimental study on electromagnetically induced absorption (EIA) in the closed transition of a degenerate two-level Cs atomic system. The coupling and probe lasers coupled with the transition 6S1/2F=4 → 6P3/2F'=5 of caesium atom. The signal of EIA was obtained and the frequency detuning and intensity effect of the pumping laser were experimentally investigated. The EIA signal in 6S1/2 F=4 → 6P3/2 F'=4 and 6S1/2 F=4 → 6P3/2 F'=3 open transitions was also obtained. As the repumping laser couples with the transition of 6S1/2 F=3 → 6P3/2 F'=4, the EIA signal is increased due to the hyperfine optical pumping.

Axionic landscape for Higgs coupling near-criticality

NASA Astrophysics Data System (ADS)

Cline, James M.; Espinosa, José R.

2018-02-01

The measured value of the Higgs quartic coupling λ is peculiarly close to the critical value above which the Higgs potential becomes unstable, when extrapolated to high scales by renormalization group running. It is tempting to speculate that there is an anthropic reason behind this near-criticality. We show how an axionic field can provide a landscape of vacuum states in which λ scans. These states are populated during inflation to create a multiverse with different quartic couplings, with a probability distribution P that can be computed. If P is peaked in the anthropically forbidden region of Higgs instability, then the most probable universe compatible with observers would be close to the boundary, as observed. We discuss three scenarios depending on the Higgs vacuum selection mechanism: decay by quantum tunneling, by thermal fluctuations, or by inflationary fluctuations.

Symmetry breaking in two interacting populations of quadratic integrate-and-fire neurons.

PubMed

Ratas, Irmantas; Pyragas, Kestutis

2017-10-01

We analyze the dynamics of two coupled identical populations of quadratic integrate-and-fire neurons, which represent the canonical model for class I neurons near the spiking threshold. The populations are heterogeneous; they include both inherently spiking and excitable neurons. The coupling within and between the populations is global via synapses that take into account the finite width of synaptic pulses. Using a recently developed reduction method based on the Lorentzian ansatz, we derive a closed system of equations for the neuron's firing rates and the mean membrane potentials in both populations. The reduced equations are exact in the infinite-size limit. The bifurcation analysis of the equations reveals a rich variety of nonsymmetric patterns, including a splay state, antiphase periodic oscillations, chimera-like states, and chaotic oscillations as well as bistabilities between various states. The validity of the reduced equations is confirmed by direct numerical simulations of the finite-size networks.

Model Predictive Optimal Control of a Time-Delay Distributed-Parameter Systems

NASA Technical Reports Server (NTRS)

Nguyen, Nhan

2006-01-01

This paper presents an optimal control method for a class of distributed-parameter systems governed by first order, quasilinear hyperbolic partial differential equations that arise in many physical systems. Such systems are characterized by time delays since information is transported from one state to another by wave propagation. A general closed-loop hyperbolic transport model is controlled by a boundary control embedded in a periodic boundary condition. The boundary control is subject to a nonlinear differential equation constraint that models actuator dynamics of the system. The hyperbolic equation is thus coupled with the ordinary differential equation via the boundary condition. Optimality of this coupled system is investigated using variational principles to seek an adjoint formulation of the optimal control problem. The results are then applied to implement a model predictive control design for a wind tunnel to eliminate a transport delay effect that causes a poor Mach number regulation.

Welding shield for coupling heaters

DOEpatents

Menotti, James Louis

2010-03-09

Systems for coupling end portions of two elongated heater portions and methods of using such systems to treat a subsurface formation are described herein. A system may include a holding system configured to hold end portions of the two elongated heater portions so that the end portions are abutted together or located near each other; a shield for enclosing the end portions, and one or more inert gas inlets configured to provide at least one inert gas to flush the system with inert gas during welding of the end portions. The shield may be configured to inhibit oxidation during welding that joins the end portions together. The shield may include a hinged door that, when closed, is configured to at least partially isolate the interior of the shield from the atmosphere. The hinged door, when open, is configured to allow access to the interior of the shield.

[Study on the determination of 14 inorganic elements in coffee by inductively coupled plasma mass spectrometry].

PubMed

Nie, Xi-Du; Fu, Liang

2013-07-01

Samples of coffee were digested by microwave digestion, and inorganic elements amounts of Na, Mg, P, Ca, Cr, Mn, Fe, Co, Cu, Zn, As, Se, Mo and Pb in sample solutions were determined by inductively coupled plasma mass spectrometry (ICP-MS). HNO3 + H2O2 was used to achieve the complete decomposition of the organic matrix in a closed-vessel microwave oven. The working parameters of the instrument were optimized. The results showed that the relative standard deviation (RSD) was less than 3.84% for all the elements, and the recovery was found to be 92.00% -106.52% by adding standard recovery experiment. This method was simple, sensitive and precise and can perform simultaneous multi-elements determination of coffee, which could satisfy the sample examination request and provide scientific rationale for determining inorganic elements of coffee.

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

Deur, Alexandre; Brodsky, Stanley J.; de Téramond, Guy F.

Here, the recent determination of themore » $$\\beta$$--function of the QCD running coupling $$\\alpha_{\\overline{MS}}(Q^2)$$ to five-loops, provides a verification of the convergence of a novel method for determining the fundamental QCD parameter $$\\Lambda_s$$ based on the Light-Front Holographic approach to nonperturbative QCD. The new 5-loop analysis, together with improvements in determining the holographic QCD nonperturbative scale parameter $$\\kappa$$ from hadronic spectroscopy, leads to an improved precision of the value of $$\\Lambda_s$$ in the $${\\overline{MS}}$$ scheme close to a factor of two; we find $$\\Lambda^{(3)}_{\\overline{MS}}=0.339\\pm0.019$$ GeV for $$n_{f}=3$$, in excellent agreement with the world average, $$\\Lambda_{\\overline{MS}}^{(3)}=0.332\\pm0.017$$ GeV. Lastly, we also discuss the constraints imposed on the scale dependence of the strong coupling in the nonperturbative domain by superconformal quantum mechanics and its holographic embedding in anti-de Sitter space.« less

Symmetry breaking in two interacting populations of quadratic integrate-and-fire neurons

NASA Astrophysics Data System (ADS)

Ratas, Irmantas; Pyragas, Kestutis

2017-10-01

We analyze the dynamics of two coupled identical populations of quadratic integrate-and-fire neurons, which represent the canonical model for class I neurons near the spiking threshold. The populations are heterogeneous; they include both inherently spiking and excitable neurons. The coupling within and between the populations is global via synapses that take into account the finite width of synaptic pulses. Using a recently developed reduction method based on the Lorentzian ansatz, we derive a closed system of equations for the neuron's firing rates and the mean membrane potentials in both populations. The reduced equations are exact in the infinite-size limit. The bifurcation analysis of the equations reveals a rich variety of nonsymmetric patterns, including a splay state, antiphase periodic oscillations, chimera-like states, and chaotic oscillations as well as bistabilities between various states. The validity of the reduced equations is confirmed by direct numerical simulations of the finite-size networks.

Two-dimensional coupled mathematical modeling of fluvial processes with intense sediment transport and rapid bed evolution

NASA Astrophysics Data System (ADS)

Yue, Zhiyuan; Cao, Zhixian; Li, Xin; Che, Tao

2008-09-01

Alluvial rivers may experience intense sediment transport and rapid bed evolution under a high flow regime, for which traditional decoupled mathematical river models based on simplified conservation equations are not applicable. A two-dimensional coupled mathematical model is presented, which is generally applicable to the fluvial processes with either intense or weak sediment transport. The governing equations of the model comprise the complete shallow water hydrodynamic equations closed with Manning roughness for boundary resistance and empirical relationships for sediment exchange with the erodible bed. The second-order Total-Variation-Diminishing version of the Weighted-Average-Flux method, along with the HLLC approximate Riemann Solver, is adapted to solve the governing equations, which can properly resolve shock waves and contact discontinuities. The model is applied to the pilot study of the flooding due to a sudden outburst of a real glacial-lake.

Pb and Sr isotope measurements by inductively coupled plasma mass spectrometer: efficient time management for precision improvement

NASA Astrophysics Data System (ADS)

Monna, F.; Loizeau, J.-L.; Thomas, B. A.; Guéguen, C.; Favarger, P.-Y.

1998-08-01

One of the factors limiting the precision of inductively coupled plasma mass spectrometry is the counting statistics, which depend upon acquisition time and ion fluxes. In the present study, the precision of the isotopic measurements of Pb and Sr is examined. The time of measurement is optimally shared for each isotope, using a mathematical simulation, to provide the lowest theoretical analytical error. Different algorithms of mass bias correction are also taken into account and evaluated in term of improvement of overall precision. Several experiments allow a comparison of real conditions with theory. The present method significantly improves the precision, regardless of the instrument used. However, this benefit is more important for equipment which originally yields a precision close to that predicted by counting statistics. Additionally, the procedure is flexible enough to be easily adapted to other problems, such as isotopic dilution.

Closed vessel miniaturized microwave assisted chelating extraction for determination of trace metals in plant materials

NASA Astrophysics Data System (ADS)

Czarnecki, Sezin; Duering, Rolf-Alexander

2013-04-01

In recent years, the use of closed vessel microwave assisted extraction (MAE) for plant samples has shown increasing research interest which will probably substitute conventional procedures in the future due to their general disadvantages including consumption of time and solvents. The objective of this study was to demonstrate an innovative miniaturized closed vessel microwave assisted extraction (µMAE) method under the use of EDTA (µMAE-EDTA) to determine metal contents (Cd, Co, Cu, Mn, Ni, Pb, Zn) in plant samples (Lolio-Cynosuretum) by inductively coupled plasma-optical emission spectrometry (ICP-OES). Validation of the method was done by comparison of the results with another miniaturized closed vessel microwave HNO3 method (µMAE-H) and with two other macro scale MAE procedures (MAE-H and MAE-EDTA) which were applied by using a mixture of nitric acid (HNO3) and hydrogen peroxide (H2O2) (MAE-H) and EDTA (MAE-EDTA), respectively. The already established MAE-H method is taken into consideration as a reference validation MAE method for plant material. A conventional plant extraction (CE) method, based on dry ashing and dissolving of the plant material in HNO3, was used as a confidence comparative method. Certified plant reference materials (CRMs) were used for comparison of recovery rates from different extraction protocols. This allowed the validation of the applicability of the µMAE-EDTA procedure. For 36 real plant samples with triplicates each, µMAE-EDTA showed the same extraction yields as the MAE-H in the determination of Cd, Co, Cu, Mn, Ni, Pb, and Zn contents in plant samples. Analytical parameters in µMAE-EDTA should be further investigated and adapted for other metals of interest. By the reduction and elimination of the use of hazardous chemicals in environmental analysis and thus allowing a better understanding of metal distribution and accumulation process in plants and also the metal transfer from soil to plants and into the food chain, µMAE-EDTA is seen as a promising technique for achieving green chemistry goals.

Cortisol stress resonance in the laboratory is associated with inter-couple diurnal cortisol covariation in daily life.

PubMed

Engert, Veronika; Ragsdale, Amy M; Singer, Tania

2018-02-01

In laboratory environments individuals may display empathic cortisol stress responses merely from observing another experience psychosocial stress. Moreover, within couples, women synchronize their own to their partners' stress-induced cortisol release. We investigated whether a woman's tendency to experience such cortisol stress resonance in a controlled laboratory task is associated with the degree to which her and her partner's diurnal cortisol levels covary in a naturalistic environment. Such habitual cortisol covariation may be a pathway via which close relationships influence health outcomes. Forty-four men completed the Trier Social Stress Test while their female partners observed the situation, either via "real-life" (one-way mirror) or "virtual" (video) observation modality. Later, the couples collected diurnal cortisol samples over two weekdays. Hierarchical linear modeling indicated that the degree to which couples covaried in their daily cortisol secretion was associated with the female partner's cortisol stress resonance in the laboratory, and that this association was stronger if stress resonance was assessed in the "real-life" observation condition. Specifically, women with higher cortisol stress resonance were more closely linked to their partner's diurnal cortisol secretion. Neither momentary partner presence during sampling nor relationship duration or quality accounted for the association. By showing that covariation in the laboratory has ecological validity in naturalistic conditions, these results make an important methodological contribution to the study of dyadic processes. Given that close relationships exert immense influence over individual health outcomes, understanding the association between acute and chronic physiological linkage may provide important insight into the mechanisms by which close relationships impact well-being. Copyright © 2018 Elsevier Inc. All rights reserved.

Correlation characteristics of phase and amplitude chimeras in an ensemble of nonlocally coupled maps

NASA Astrophysics Data System (ADS)

Vadivasova, T. E.; Strelkova, G. I.; Bogomolov, S. A.; Anishchenko, V. S.

2017-01-01

Correlation characteristics of chimera states have been calculated using the coefficient of mutual correlation of elements in a closed-ring ensemble of nonlocally coupled chaotic maps. Quantitative differences between the coefficients of mutual correlation for phase and amplitude chimeras are established for the first time.

Modeling Blast Loading on Buried Reinforced Concrete Structures with Zapotec

DOE PAGES

Bessette, Greg C.

2008-01-01

A coupled Euler-Lagrange solution approach is used to model the response of a buried reinforced concrete structure subjected to a close-in detonation of a high explosive charge. The coupling algorithm is discussed along with a set of benchmark calculations involving detonations in clay and sand.

An expressed sequence tag (EST) data mining strategy succeeding in the discovery of new G-protein coupled receptors.

PubMed

Wittenberger, T; Schaller, H C; Hellebrand, S

2001-03-30

We have developed a comprehensive expressed sequence tag database search method and used it for the identification of new members of the G-protein coupled receptor superfamily. Our approach proved to be especially useful for the detection of expressed sequence tag sequences that do not encode conserved parts of a protein, making it an ideal tool for the identification of members of divergent protein families or of protein parts without conserved domain structures in the expressed sequence tag database. At least 14 of the expressed sequence tags found with this strategy are promising candidates for new putative G-protein coupled receptors. Here, we describe the sequence and expression analysis of five new members of this receptor superfamily, namely GPR84, GPR86, GPR87, GPR90 and GPR91. We also studied the genomic structure and chromosomal localization of the respective genes applying in silico methods. A cluster of six closely related G-protein coupled receptors was found on the human chromosome 3q24-3q25. It consists of four orphan receptors (GPR86, GPR87, GPR91, and H963), the purinergic receptor P2Y1, and the uridine 5'-diphosphoglucose receptor KIAA0001. It seems likely that these receptors evolved from a common ancestor and therefore might have related ligands. In conclusion, we describe a data mining procedure that proved to be useful for the identification and first characterization of new genes and is well applicable for other gene families. Copyright 2001 Academic Press.

Photophysics of phenol and pentafluorophenol: The role of nonadiabaticity in the optical transition to the lowest bright 1ππ* state

NASA Astrophysics Data System (ADS)

Rajak, Karunamoy; Ghosh, Arpita; Mahapatra, S.

2018-02-01

We report multimode vibronic coupling of the energetically low-lying electronic states of phenol and pentafluorophenol in this article. First principles nuclear dynamics calculations are carried out to elucidate the optical absorption spectrum of both of the molecules. This is motivated by the recent experimental measurements [S. Karmakar et al., J. Chem. Phys. 142, 184303 (2015)] on these systems. Diabatic vibronic coupling models are developed with the aid of adiabatic electronic energies calculated ab initio by the equation of motion coupled cluster quantum chemistry method. A nuclear dynamics study on the constructed electronic states is carried out by both the time-independent and time-dependent quantum mechanical methods. It is found that the nature of low-energy πσ* transition changes, and in pentafluorophenol the energy of the first two 1πσ* states, is lowered by about half an eV (vertically, relative to those in phenol), and they become energetically close to the optically bright first excited 1ππ* (S1) state. This results in strong vibronic coupling and multiple multi-state conical intersections among the ππ* and πσ* electronic states of pentafluorophenol. The impact of associated nonadiabatic effects on the vibronic structure and dynamics of the 1ππ* state is examined at length. The structured vibronic band of phenol becomes structureless in pentafluorophenol. The theoretical results are found to be in good accord with the experimental finding at both high energy resolution and low energy resolution.

17O nuclear quadrupole coupling constants of water bound to a metal ion: A gadolinium(III) case study

NASA Astrophysics Data System (ADS)

Yazyev, Oleg V.; Helm, Lothar

2006-08-01

Rotational correlation times of metal ion aqua complexes can be determined from O17 NMR relaxation rates if the quadrupole coupling constant of the bound water oxygen-17 nucleus is known. The rotational correlation time is an important parameter for the efficiency of Gd3+ complexes as magnetic resonance imaging contrast agents. Using a combination of density functional theory with classical and Car-Parrinello molecular dynamics simulations we performed a computational study of the O17 quadrupole coupling constants in model aqua ions and the [Gd(DOTA)(H2O)]- complex used in clinical diagnostics. For the inner sphere water molecule in the [Gd(DOTA)(H2O)]- complex the determined quadrupole coupling parameter χ√1+η2/3 of 8.7MHz is very similar to that of the liquid water (9.0MHz ). Very close values were also predicted for the the homoleptic aqua ions of Gd3+ and Ca2+. We conclude that the O17 quadrupole coupling parameters of water molecules coordinated to closed shell and lanthanide metal ions are similar to water molecules in the liquid state.

Analytical Energy Gradients for Excited-State Coupled-Cluster Methods

NASA Astrophysics Data System (ADS)

Wladyslawski, Mark; Nooijen, Marcel

The equation-of-motion coupled-cluster (EOM-CC) and similarity transformed equation-of-motion coupled-cluster (STEOM-CC) methods have been firmly established as accurate and routinely applicable extensions of single-reference coupled-cluster theory to describe electronically excited states. An overview of these methods is provided, with emphasis on the many-body similarity transform concept that is the key to a rationalization of their accuracy. The main topic of the paper is the derivation of analytical energy gradients for such non-variational electronic structure approaches, with an ultimate focus on obtaining their detailed algebraic working equations. A general theoretical framework using Lagrange's method of undetermined multipliers is presented, and the method is applied to formulate the EOM-CC and STEOM-CC gradients in abstract operator terms, following the previous work in [P.G. Szalay, Int. J. Quantum Chem. 55 (1995) 151] and [S.R. Gwaltney, R.J. Bartlett, M. Nooijen, J. Chem. Phys. 111 (1999) 58]. Moreover, the systematics of the Lagrange multiplier approach is suitable for automation by computer, enabling the derivation of the detailed derivative equations through a standardized and direct procedure. To this end, we have developed the SMART (Symbolic Manipulation and Regrouping of Tensors) package of automated symbolic algebra routines, written in the Mathematica programming language. The SMART toolkit provides the means to expand, differentiate, and simplify equations by manipulation of the detailed algebraic tensor expressions directly. The Lagrangian multiplier formulation establishes a uniform strategy to perform the automated derivation in a standardized manner: A Lagrange multiplier functional is constructed from the explicit algebraic equations that define the energy in the electronic method; the energy functional is then made fully variational with respect to all of its parameters, and the symbolic differentiations directly yield the explicit equations for the wavefunction amplitudes, the Lagrange multipliers, and the analytical gradient via the perturbation-independent generalized Hellmann-Feynman effective density matrix. This systematic automated derivation procedure is applied to obtain the detailed gradient equations for the excitation energy (EE-), double ionization potential (DIP-), and double electron affinity (DEA-) similarity transformed equation-of-motion coupled-cluster singles-and-doubles (STEOM-CCSD) methods. In addition, the derivatives of the closed-shell-reference excitation energy (EE-), ionization potential (IP-), and electron affinity (EA-) equation-of-motion coupled-cluster singles-and-doubles (EOM-CCSD) methods are derived. Furthermore, the perturbative EOM-PT and STEOM-PT gradients are obtained. The algebraic derivative expressions for these dozen methods are all derived here uniformly through the automated Lagrange multiplier process and are expressed compactly in a chain-rule/intermediate-density formulation, which facilitates a unified modular implementation of analytic energy gradients for CCSD/PT-based electronic methods. The working equations for these analytical gradients are presented in full detail, and their factorization and implementation into an efficient computer code are discussed.

Wave energy extraction by coupled resonant absorbers.

PubMed

Evans, D V; Porter, R

2012-01-28

In this article, a range of problems and theories will be introduced that will build towards a new wave energy converter (WEC) concept, with the acronym 'ROTA' standing for resonant over-topping absorber. First, classical results for wave power absorption for WECs constrained to operate in a single degree of freedom will be reviewed and the role of resonance in their operation highlighted. Emphasis will then be placed on how the introduction of further resonances can improve power take-off characteristics by extending the range of frequencies over which the efficiency is close to a theoretical maximum. Methods for doing this in different types of WECs will be demonstrated. Coupled resonant absorbers achieve this by connecting a WEC device equipped with its own resonance (determined from a hydrodynamic analysis) to a new system having separate mass/spring/damper characteristics. It is shown that a coupled resonant effect can be realized by inserting a water tank into a WEC, and this idea forms the basis of the ROTA device. In essence, the idea is to exploit the coupling between the natural sloshing frequencies of the water in the internal tank and the natural resonance of a submerged buoyant circular cylinder device that is tethered to the sea floor, allowing a rotary motion about its axis of attachment.

Composite vibrational spectroscopy of the group 12 difluorides: ZnF2, CdF2, and HgF2.

PubMed

Solomonik, Victor G; Smirnov, Alexander N; Navarkin, Ilya S

2016-04-14

The vibrational spectra of group 12 difluorides, MF2 (M = Zn, Cd, Hg), were investigated via coupled cluster singles, doubles, and perturbative triples, CCSD(T), including core correlation, with a series of correlation consistent basis sets ranging in size from triple-zeta through quintuple-zeta quality, which were then extrapolated to the complete basis set (CBS) limit using a variety of extrapolation procedures. The explicitly correlated coupled cluster method, CCSD(T)-F12b, was employed as well. Although exhibiting quite different convergence behavior, the F12b method yielded the CBS limit estimates closely matching more computationally expensive conventional CBS extrapolations. The convergence with respect to basis set size was examined for the contributions entering into composite vibrational spectroscopy, including those from higher-order correlation accounted for through the CCSDT(Q) level of theory, second-order spin-orbit coupling effects assessed within four-component and two-component relativistic formalisms, and vibrational anharmonicity evaluated via a perturbative treatment. Overall, the composite results are in excellent agreement with available experimental values, except for the CdF2 bond-stretching frequencies compared to spectral assignments proposed in a matrix isolation infrared and Raman study of cadmium difluoride vapor species [Loewenschuss et al., J. Chem. Phys. 50, 2502 (1969); Givan and Loewenschuss, J. Chem. Phys. 72, 3809 (1980)]. These assignments are called into question in the light of the composite results.

Composite vibrational spectroscopy of the group 12 difluorides: ZnF2, CdF2, and HgF2

NASA Astrophysics Data System (ADS)

Solomonik, Victor G.; Smirnov, Alexander N.; Navarkin, Ilya S.

2016-04-01

The vibrational spectra of group 12 difluorides, MF2 (M = Zn, Cd, Hg), were investigated via coupled cluster singles, doubles, and perturbative triples, CCSD(T), including core correlation, with a series of correlation consistent basis sets ranging in size from triple-zeta through quintuple-zeta quality, which were then extrapolated to the complete basis set (CBS) limit using a variety of extrapolation procedures. The explicitly correlated coupled cluster method, CCSD(T)-F12b, was employed as well. Although exhibiting quite different convergence behavior, the F12b method yielded the CBS limit estimates closely matching more computationally expensive conventional CBS extrapolations. The convergence with respect to basis set size was examined for the contributions entering into composite vibrational spectroscopy, including those from higher-order correlation accounted for through the CCSDT(Q) level of theory, second-order spin-orbit coupling effects assessed within four-component and two-component relativistic formalisms, and vibrational anharmonicity evaluated via a perturbative treatment. Overall, the composite results are in excellent agreement with available experimental values, except for the CdF2 bond-stretching frequencies compared to spectral assignments proposed in a matrix isolation infrared and Raman study of cadmium difluoride vapor species [Loewenschuss et al., J. Chem. Phys. 50, 2502 (1969); Givan and Loewenschuss, J. Chem. Phys. 72, 3809 (1980)]. These assignments are called into question in the light of the composite results.

Analysis of induced electrical currents from magnetic field coupling inside implantable neurostimulator leads.

PubMed

Pantchenko, Oxana S; Seidman, Seth J; Guag, Joshua W

2011-10-21

Over the last decade, the number of neurostimulator systems implanted in patients has been rapidly growing. Nearly 50, 000 neurostimulators are implanted worldwide annually. The most common type of implantable neurostimulators is indicated for pain relief. At the same time, commercial use of other electromagnetic technologies is expanding, making electromagnetic interference (EMI) of neurostimulator function an issue of concern. Typically reported sources of neurostimulator EMI include security systems, metal detectors and wireless equipment. When near such sources, patients with implanted neurostimulators have reported adverse events such as shock, pain, and increased stimulation. In recent in vitro studies, radio frequency identification (RFID) technology has been shown to inhibit the stimulation pulse of an implantable neurostimulator system during low frequency exposure at close distances. This could potentially be due to induced electrical currents inside the implantable neurostimulator leads that are caused by magnetic field coupling from the low frequency identification system. To systematically address the concerns posed by EMI, we developed a test platform to assess the interference from coupled magnetic fields on implantable neurostimulator systems. To measure interference, we recorded the output of one implantable neurostimulator, programmed for best therapy threshold settings, when in close proximity to an operating low frequency RFID emitter. The output contained electrical potentials from the neurostimulator system and those induced by EMI from the RFID emitter. We also recorded the output of the same neurostimulator system programmed for best therapy threshold settings without RFID interference. Using the Spatially Extended Nonlinear Node (SENN) model, we compared threshold factors of spinal cord fiber excitation for both recorded outputs. The electric current induced by low frequency RFID emitter was not significant to have a noticeable effect on electrical stimulation. We demonstrated a method for analyzing effects of coupled magnetic field interference on implantable neurostimulator system and its electrodes which could be used by device manufacturers during the design and testing phases of the development process.

Normal-Mode Splitting in a Weakly Coupled Optomechanical System

NASA Astrophysics Data System (ADS)

Rossi, Massimiliano; Kralj, Nenad; Zippilli, Stefano; Natali, Riccardo; Borrielli, Antonio; Pandraud, Gregory; Serra, Enrico; Di Giuseppe, Giovanni; Vitali, David

2018-02-01

Normal-mode splitting is the most evident signature of strong coupling between two interacting subsystems. It occurs when two subsystems exchange energy between themselves faster than they dissipate it to the environment. Here we experimentally show that a weakly coupled optomechanical system at room temperature can manifest normal-mode splitting when the pump field fluctuations are antisquashed by a phase-sensitive feedback loop operating close to its instability threshold. Under these conditions the optical cavity exhibits an effectively reduced decay rate, so that the system is effectively promoted to the strong coupling regime.

Elastic moduli of a Brownian colloidal glass former

NASA Astrophysics Data System (ADS)

Fritschi, S.; Fuchs, M.

2018-01-01

The static, dynamic and flow-dependent shear moduli of a binary mixture of Brownian hard disks are studied by an event-driven molecular dynamics simulation. Thereby, the emergence of rigidity close to the glass transition encoded in the static shear modulus G_∞ is accessed by three methods. Results from shear stress auto-correlation functions, elastic dispersion relations, and the elastic response to strain deformations upon the start-up of shear flow are compared. This enables one to sample the time-dependent shear modulus G(t) consistently over several decades in time. By that a very precise specification of the glass transition point and of G_∞ is feasible. Predictions by mode coupling theory of a finite shear modulus at the glass transition, of α-scaling in fluid states close to the transition, and of shear induced decay in yielding glass states are tested and broadly verified.

Asymmetrical field emitter

DOEpatents

Fleming, J.G.; Smith, B.K.

1995-10-10

A method is disclosed for providing a field emitter with an asymmetrical emitter structure having a very sharp tip in close proximity to its gate. One preferred embodiment of the present invention includes an asymmetrical emitter and a gate. The emitter having a tip and a side is coupled to a substrate. The gate is connected to a step in the substrate. The step has a top surface and a side wall that is substantially parallel to the side of the emitter. The tip of the emitter is in close proximity to the gate. The emitter is at an emitter potential, and the gate is at a gate potential such that with the two potentials at appropriate values, electrons are emitted from the emitter. In one embodiment, the gate is separated from the emitter by an oxide layer, and the emitter is etched anisotropically to form its tip and its asymmetrical structure. 17 figs.

Optimal control of large space structures via generalized inverse matrix

NASA Technical Reports Server (NTRS)

Nguyen, Charles C.; Fang, Xiaowen

1987-01-01

Independent Modal Space Control (IMSC) is a control scheme that decouples the space structure into n independent second-order subsystems according to n controlled modes and controls each mode independently. It is well-known that the IMSC eliminates control and observation spillover caused when the conventional coupled modal control scheme is employed. The independent control of each mode requires that the number of actuators be equal to the number of modelled modes, which is very high for a faithful modeling of large space structures. A control scheme is proposed that allows one to use a reduced number of actuators to control all modeled modes suboptimally. In particular, the method of generalized inverse matrices is employed to implement the actuators such that the eigenvalues of the closed-loop system are as closed as possible to those specified by the optimal IMSC. Computer simulation of the proposed control scheme on a simply supported beam is given.

Data mining with unsupervised clustering using photonic micro-ring resonators

NASA Astrophysics Data System (ADS)

McAulay, Alastair D.

2013-09-01

Data is commonly moved through optical fiber in modern data centers and may be stored optically. We propose an optical method of data mining for future data centers to enhance performance. For example, in clustering, a form of unsupervised learning, we propose that parameters corresponding to information in a database are converted from analog values to frequencies, as in the brain's neurons, where similar data will have close frequencies. We describe the Wilson-Cowan model for oscillating neurons. In optics we implement the frequencies with micro ring resonators. Due to the influence of weak coupling, a group of resonators will form clusters of similar frequencies that will indicate the desired parameters having close relations. Fewer clusters are formed as clustering proceeds, which allows the creation of a tree showing topics of importance and their relationships in the database. The tree can be used for instance to target advertising and for planning.

Adaptive super twisting vibration control of a flexible spacecraft with state rate estimation

NASA Astrophysics Data System (ADS)

Malekzadeh, Maryam; Karimpour, Hossein

2018-05-01

The robust attitude and vibration control of a flexible spacecraft trying to perform accurate maneuvers in spite of various sources of uncertainty is addressed here. Difficulties for achieving precise and stable pointing arise from noisy onboard sensors, parameters indeterminacy, outer disturbances as well as un-modeled or hidden dynamics interactions. Based on high-order sliding-mode methods, the non-minimum phase nature of the problem is dealt with through output redefinition. An adaptive super-twisting algorithm (ASTA) is incorporated with its observer counterpart on the system under consideration to get reliable attitude and vibration control in the presence of sensor noise and momentum coupling. The closed-loop efficiency is verified through simulations under various indeterminate situations and got compared to other methods.

Synthesis of the carbocyclic core of the cornexistins by ring-closing metathesis.

PubMed

Clark, J Stephen; Marlin, Frederic; Nay, Bastien; Wilson, Claire

2003-01-09

An advanced intermediate in the synthesis of the phytotoxins cornexistin and hydroxycornexistin has been synthesized. Sequential palladium-mediated sp(2)-sp(3) fragment coupling and ring-closing diene metathesis have been used to construct the nine-membered carbocyclic core found in the natural products. [reaction--see text

Self-closing shielded container for use with radioactive materials

DOEpatents

Smith, J.E.

1984-10-16

A container is described for storage of radioactive material comprising a container body and a closure member. The closure member being coupled to the container body to enable the closure body to move automatically from a first position (e.g., closed) to a second position (open). 1 fig.

A method of measuring the effective thermal conductivity of thermoplastic foams

NASA Astrophysics Data System (ADS)

Asséko, André Chateau Akué; Cosson, Benoit; Chaki, Salim; Duborper, Clément; Lacrampe, Marie-France; Krawczak, Patricia

2017-10-01

An inverse method for determining the in-plane effective thermal conductivity of porous thermoplastics was implemented by coupling infrared thermography experiments and numerical solution of heat transfer in straight fins having temperature-dependent convective heat transfer coefficient. The obtained effective thermal conductivity values were compared with previous results obtained using a numerical solution based on periodic homogenization techniques (NSHT) in which the microstructure heterogeneity of extruded polymeric polyethylene (PE) foam in which pores are filled with air with different levels of open and closed porosity was taken into account and Transient Plane Source Technique (TPS) in order to verify the accuracy of the proposed method. The new method proposed in the present study is in good agreement with both NSHT and TPS. It is also applicable to structural materials such as composites, e.g. unidirectional fiber-reinforced plastics, where heat transfer is very different according to the fiber direction (parallel or transverse to the fibers).

Double Diffusive Magnetohydrodynamic (MHD) Mixed Convective Slip Flow along a Radiating Moving Vertical Flat Plate with Convective Boundary Condition

PubMed Central

Rashidi, Mohammad M.; Kavyani, Neda; Abelman, Shirley; Uddin, Mohammed J.; Freidoonimehr, Navid

2014-01-01

In this study combined heat and mass transfer by mixed convective flow along a moving vertical flat plate with hydrodynamic slip and thermal convective boundary condition is investigated. Using similarity variables, the governing nonlinear partial differential equations are converted into a system of coupled nonlinear ordinary differential equations. The transformed equations are then solved using a semi-numerical/analytical method called the differential transform method and results are compared with numerical results. Close agreement is found between the present method and the numerical method. Effects of the controlling parameters, including convective heat transfer, magnetic field, buoyancy ratio, hydrodynamic slip, mixed convective, Prandtl number and Schmidt number are investigated on the dimensionless velocity, temperature and concentration profiles. In addition effects of different parameters on the skin friction factor, , local Nusselt number, , and local Sherwood number are shown and explained through tables. PMID:25343360

The effects of virtual reality game training on trunk to pelvis coupling in a child with cerebral palsy

PubMed Central

2013-01-01

Background Good control of trunk and pelvic movements is necessary for well controlled leg movements required to perform activities of daily living. The nature of movement coupling between the trunk and pelvis varies and depends on the type of activity. Children with cerebral palsy often have reduced ability to modulate coupling between the trunk and pelvis but movement patterns of the pelvis can be improved by training. The aim of this study was to examine how pelvis to trunk coupling changed while playing a computer game driven by pelvic rotations. Methods One boy with cerebral palsy diplegia played the Goblin Post Office game on the CAREN virtual rehabilitation system for six weeks. He navigated a flying dragon in a virtual cave towards randomly appearing targets by rotating the pelvis around a vertical axis. Motion of the pelvis and trunk was captured in real-time by a Vicon 612 optoelectronic system tracking two clusters of three markers attached to the sacrum and thoracic spine. Results Convex hull areas calculated from angle-angle plots of pelvic and trunk rotations showed that coupling increased over game training (F1,11 = 7.482, p = 0.019). Reaching to targets far from the midline required tighter coupling than reaching near targets (F1,12 = 10.619, p = 0.007). Conclusions Increasing coupling appears to be an initial compensation mechanism using the better controlled trunk to drive rotation of the pelvis. Co-contractions causing increased coupling are expected to reduce over longer exposure to training. The control scheme of the training game can be set to facilitate de-coupling of pelvic movements from the trunk. Using large ranges of pelvic rotation required more coupling suggesting that training of selective pelvic movements is likely to be more effective close to a neutral pelvic posture. PMID:23391156

Henry Barton Jacobs, William Osler's intimate friend

PubMed Central

2017-01-01

William Osler was considered a universal friend by physicians of his era but, as with most people, his intimate friends were few. Henry Barton Jacobs became a close friend as one of the “latchkeyers” who lived next door to the Oslers in Baltimore, and the friendship intensified after Jacobs married Mary Sloan Frick Garrett, the fabulously wealthy widow of a former patient. The couples stayed close after the Oslers moved to Oxford, vacationing together and corresponding frequently. The couple friendship between the Oslers and the Jacobses benefited American medicine in specific ways, including the care of patients with tuberculosis and the care of children. PMID:28127152

Tsunami Generation from Asteroid Airburst and Ocean Impact and Van Dorn Effect

NASA Technical Reports Server (NTRS)

Robertson, Darrel

2016-01-01

Airburst - In the simulations explored energy from the airburst couples very weakly with the water making tsunami dangerous over a shorter distance than the blast for asteroid sizes up to the maximum expected size that will still airburst (approx.250MT). Future areas of investigation: - Low entry angle airbursts create more cylindrical blasts and might couple more efficiently - Bursts very close to the ground will increase coupling - Inclusion of thermosphere (>80km altitude) may show some plume collapse effects over a large area although with much less pressure center dot Ocean Impact - Asteroid creates large cavity in ocean. Cavity backfills creating central jet. Oscillation between the cavity and jet sends out tsunami wave packet. - For deep ocean impact waves are deep water waves (Phase speed = 2x Group speed) - If the tsunami propagation and inundation calculations are correct for the small (<250MT) asteroids in these simulations where they impact deep ocean basins, the resulting tsunami is not a significant hazard unless particularly close to vulnerable communities. Future work: - Shallow ocean impact. - Effect of continental shelf and beach profiles - Tsunami vs. blast damage radii for impacts close to populated areas - Larger asteroids below presumed threshold of global effects (Ø200 - 800m).

Closed-form Static Analysis with Inertia Relief and Displacement-Dependent Loads Using a MSC/NASTRAN DMAP Alter

NASA Technical Reports Server (NTRS)

Barnett, Alan R.; Widrick, Timothy W.; Ludwiczak, Damian R.

1995-01-01

Solving for the displacements of free-free coupled systems acted upon by static loads is commonly performed throughout the aerospace industry. Many times, these problems are solved using static analysis with inertia relief. This solution technique allows for a free-free static analysis by balancing the applied loads with inertia loads generated by the applied loads. For some engineering applications, the displacements of the free-free coupled system induce additional static loads. Hence, the applied loads are equal to the original loads plus displacement-dependent loads. Solving for the final displacements of such systems is commonly performed using iterative solution techniques. Unfortunately, these techniques can be time-consuming and labor-intensive. Since the coupled system equations for free-free systems with displacement-dependent loads can be written in closed-form, it is advantageous to solve for the displacements in this manner. Implementing closed-form equations in static analysis with inertia relief is analogous to implementing transfer functions in dynamic analysis. Using a MSC/NASTRAN DMAP Alter, displacement-dependent loads have been included in static analysis with inertia relief. Such an Alter has been used successfully to solve efficiently a common aerospace problem typically solved using an iterative technique.

The energy balance in coronal holes and average quiet-sun regions

NASA Technical Reports Server (NTRS)

Raymond, J. C.; Doyle, J. G.

1981-01-01

Emission measure curves are presented for average coronal hole and quiet-sun spectra taken during the Skylab mission by Vernazza and Reeves (1978), and the curves are used to discuss the energy balance in each region. Close-coupling calculations are used for the Be sequence, assuming a 10 level ion; for B sequence ions mainly distorted wave calculations in an 11 level ion are used, but close-coupling cross sections are used for some ions; for C and Mg sequence ions, distorted wave calculations are used with 15 and 10 level ions, respectively, and close-coupling results are used for Li-like ions with two levels. Results are presented and include the following: the coronal hole spectrum shows a smaller slope in the emission measure distribution, consistent with the expected outflow effects. It is concluded that the simple constant pressure models of static coronal loops of constant cross section are basically able to match the observed emission measure distribution of the average quiet sun between 1,000,000 and 10,000,000 K. However, the cell center and network distributions are respectively steeper and shallower than predicted by the detailed cooling curve.

Computational design of environmental sensors for the potent opioid fentanyl

DOE PAGES

Bick, Matthew J.; Greisen, Per J.; Morey, Kevin J.; ...

2017-09-19

Here, we describe the computational design of proteins that bind the potent analgesic fentanyl. Our approach employs a fast docking algorithm to find shape complementary ligand placement in protein scaffolds, followed by design of the surrounding residues to optimize binding affinity. Co-crystal structures of the highest affinity binder reveal a highly preorganized binding site, and an overall architecture and ligand placement in close agreement with the design model. We also use the designs to generate plant sensors for fentanyl by coupling ligand binding to design stability. The method should be generally useful for detecting toxic hydrophobic compounds in the environment.

Computational design of environmental sensors for the potent opioid fentanyl

PubMed Central

Morey, Kevin J; Antunes, Mauricio S; La, David; Sankaran, Banumathi; Reymond, Luc; Johnsson, Kai; Medford, June I

2017-01-01

We describe the computational design of proteins that bind the potent analgesic fentanyl. Our approach employs a fast docking algorithm to find shape complementary ligand placement in protein scaffolds, followed by design of the surrounding residues to optimize binding affinity. Co-crystal structures of the highest affinity binder reveal a highly preorganized binding site, and an overall architecture and ligand placement in close agreement with the design model. We use the designs to generate plant sensors for fentanyl by coupling ligand binding to design stability. The method should be generally useful for detecting toxic hydrophobic compounds in the environment. PMID:28925919

Glauber exchange amplitudes. [electron scattering from H atoms

NASA Technical Reports Server (NTRS)

Madan, R. N.

1975-01-01

The extrapolation method of Ochkur, valid for intermediate energies (about 50 eV), is applied to the exchange form of the Glauber amplitudes. In the case of elastic scattering of electrons from hydrogen atoms at 54.4 Ev the 'post' and 'prior' forms of the exchange amplitude are equivalent, whereas for the case of inelastic scattering there is a minute discrepancy between the two forms of the amplitude. The results are compared with the close-coupling calculation. The investigation is expected to be useful for optically forbidden exchange-allowed transitions due to electron impact at intermediate energies.

Computational design of environmental sensors for the potent opioid fentanyl

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

Bick, Matthew J.; Greisen, Per J.; Morey, Kevin J.

Here, we describe the computational design of proteins that bind the potent analgesic fentanyl. Our approach employs a fast docking algorithm to find shape complementary ligand placement in protein scaffolds, followed by design of the surrounding residues to optimize binding affinity. Co-crystal structures of the highest affinity binder reveal a highly preorganized binding site, and an overall architecture and ligand placement in close agreement with the design model. We also use the designs to generate plant sensors for fentanyl by coupling ligand binding to design stability. The method should be generally useful for detecting toxic hydrophobic compounds in the environment.

The Science of Computing: Expert Systems

NASA Technical Reports Server (NTRS)

Denning, Peter J.

1986-01-01

The creative urge of human beings is coupled with tremendous reverence for logic. The idea that the ability to reason logically--to be rational--is closely tied to intelligence was clear in the writings of Plato. The search for greater understanding of human intelligence led to the development of mathematical logic, the study of methods of proving the truth of statements by manipulating the symbols in which they are written without regard to the meanings of those symbols. By the nineteenth century a search was under way for a universal system of logic, one capable of proving anything provable in any other system.

Enzymatic hydrolysis and fermentation of dilute acid pretreated cornstalk to biohydrogen

NASA Astrophysics Data System (ADS)

Pan, C. M.; Fan, Y. T.; Hou, H. W.

2010-03-01

The coupling method of acid pretreatment and enzymatic hydrolysis of cornstalk for hydrogen production was investigated in this study. Experimental results showed that temperature, pH and enzyme loading all had an individual significant influence on soluble sugar yield and Ps. The optimum condition for soluble sugar was close to that for Ps. The maximum hydrogen yield from cornstalk by anaerobic mixed microflora was 209.8 ml/g-TVS on the optimum enzymatic hydrolysis condition which was 52 °C of temperature, pH4.8 and 9.4 IU/g of enzyme loading.

High flow, low mobile weight quick disconnect system

NASA Technical Reports Server (NTRS)

Smith, Ronn G. (Inventor); Nagy, Jr., Zoltan Frank (Inventor); Moszczienski, Joseph Roch (Inventor)

2010-01-01

A fluid coupling device and coupling system that may start and stop the flow of a fluid is disclosed. In some embodiments, first and second couplings are provided having an actuator coupled with each of the couplings. The couplings and actuators may be detachable to provide quick disconnect features and, in some embodiments, provide unitary actuation for the actuators of the coupling device to facilitate connection in mobile applications. Actuation may occur as the two couplings and actuators are engaged and disengaged and may occur by rotational actuation of the actuators. Rotational actuation can be provided to ensure flow through the coupling device, which in some embodiments may further provide an offset venturi feature. Upon disengagement, a compression element such as a compression spring can be provided to return the actuators to a closed position. Some embodiments further provide a seal external to the actuators and provided at incipient engagement of the couplings.

Improvement of AOAC Official Method 984.27 for the determination of nine nutritional elements in food products by Inductively coupled plasma-atomic emission spectroscopy after microwave digestion: single-laboratory validation and ring trial.

PubMed

Poitevin, Eric; Nicolas, Marine; Graveleau, Laetitia; Richoz, Janique; Andrey, Daniel; Monard, Florence

2009-01-01

A single-laboratory validation (SLV) and a ring trial (RT) were undertaken to determine nine nutritional elements in food products by inductively coupled plasma-atomic emission spectroscopy in order to improve and update AOAC Official Method 984.27. The improvements involved optimized microwave digestion, selected analytical lines, internal standardization, and ion buffering. Simultaneous determination of nine elements (calcium, copper, iron, potassium, magnesium, manganese, sodium, phosphorus, and zinc) was made in food products. Sample digestion was performed through wet digestion of food samples by microwave technology with either closed or open vessel systems. Validation was performed to characterize the method for selectivity, sensitivity, linearity, accuracy, precision, recovery, ruggedness, and uncertainty. The robustness and efficiency of this method was proved through a successful internal RT using experienced food industry laboratories. Performance characteristics are reported for 13 certified and in-house reference materials, populating the AOAC triangle food sectors, which fulfilled AOAC criteria and recommendations for accuracy (trueness, recovery, and z-scores) and precision (repeatability and reproducibility RSD and HorRat values) regarding SLV and RT. This multielemental method is cost-efficient, time-saving, accurate, and fit-for-purpose according to ISO 17025 Norm and AOAC acceptability criteria, and is proposed as an improved version of AOAC Official Method 984.27 for fortified food products, including infant formula.

Distributed Adaptive Neural Control for Stochastic Nonlinear Multiagent Systems.

PubMed

Wang, Fang; Chen, Bing; Lin, Chong; Li, Xuehua

2016-11-14

In this paper, a consensus tracking problem of nonlinear multiagent systems is investigated under a directed communication topology. All the followers are modeled by stochastic nonlinear systems in nonstrict feedback form, where nonlinearities and stochastic disturbance terms are totally unknown. Based on the structural characteristic of neural networks (in Lemma 4), a novel distributed adaptive neural control scheme is put forward. The raised control method not only effectively handles unknown nonlinearities in nonstrict feedback systems, but also copes with the interactions among agents and coupling terms. Based on the stochastic Lyapunov functional method, it is indicated that all the signals of the closed-loop system are bounded in probability and all followers' outputs are convergent to a neighborhood of the output of leader. At last, the efficiency of the control method is testified by a numerical example.

Modelling the Effects of Electrical Coupling between Unmyelinated Axons of Brainstem Neurons Controlling Rhythmic Activity

PubMed Central

Hull, Michael J.; Soffe, Stephen R.; Willshaw, David J.; Roberts, Alan

2015-01-01

Gap junctions between fine unmyelinated axons can electrically couple groups of brain neurons to synchronise firing and contribute to rhythmic activity. To explore the distribution and significance of electrical coupling, we modelled a well analysed, small population of brainstem neurons which drive swimming in young frog tadpoles. A passive network of 30 multicompartmental neurons with unmyelinated axons was used to infer that: axon-axon gap junctions close to the soma gave the best match to experimentally measured coupling coefficients; axon diameter had a strong influence on coupling; most neurons were coupled indirectly via the axons of other neurons. When active channels were added, gap junctions could make action potential propagation along the thin axons unreliable. Increased sodium and decreased potassium channel densities in the initial axon segment improved action potential propagation. Modelling suggested that the single spike firing to step current injection observed in whole-cell recordings is not a cellular property but a dynamic consequence of shunting resulting from electrical coupling. Without electrical coupling, firing of the population during depolarising current was unsynchronised; with coupling, the population showed synchronous recruitment and rhythmic firing. When activated instead by increasing levels of modelled sensory pathway input, the population without electrical coupling was recruited incrementally to unpatterned activity. However, when coupled, the population was recruited all-or-none at threshold into a rhythmic swimming pattern: the tadpole “decided” to swim. Modelling emphasises uncertainties about fine unmyelinated axon physiology but, when informed by biological data, makes general predictions about gap junctions: locations close to the soma; relatively small numbers; many indirect connections between neurons; cause of action potential propagation failure in fine axons; misleading alteration of intrinsic firing properties. Modelling also indicates that electrical coupling within a population can synchronize recruitment of neurons and their pacemaker firing during rhythmic activity. PMID:25954930

Relationship Factors and Couples' Engagement in Sun Protection

ERIC Educational Resources Information Center

Manne, S. L.; Coups, E. J.; Kashy, D. A.

2016-01-01

Individuals may be more motivated to adopt health practices if they consider the benefits of these behaviors for their close relationships. The goal of this study was to examine couple concordance with sun protection and use the interdependence and communal coping theory to evaluate the role of relationship factors in sun protection. One hundred…

Coupling sensing to crop models for closed-loop plant production in advanced life support systems

NASA Astrophysics Data System (ADS)

Cavazzoni, James; Ling, Peter P.

1999-01-01

We present a conceptual framework for coupling sensing to crop models for closed-loop analysis of plant production for NASA's program in advanced life support. Crop status may be monitored through non-destructive observations, while models may be independently applied to crop production planning and decision support. To achieve coupling, environmental variables and observations are linked to mode inputs and outputs, and monitoring results compared with model predictions of plant growth and development. The information thus provided may be useful in diagnosing problems with the plant growth system, or as a feedback to the model for evaluation of plant scheduling and potential yield. In this paper, we demonstrate this coupling using machine vision sensing of canopy height and top projected canopy area, and the CROPGRO crop growth model. Model simulations and scenarios are used for illustration. We also compare model predictions of the machine vision variables with data from soybean experiments conducted at New Jersey Agriculture Experiment Station Horticulture Greenhouse Facility, Rutgers University. Model simulations produce reasonable agreement with the available data, supporting our illustration.

The role of stress on close relationships and marital satisfaction.

PubMed

Randall, Ashley K; Bodenmann, Guy

2009-03-01

Stress is a concept that has received increased attention in marital research during the last decade, showing that it plays an important role in understanding the quality and stability of close relationships. Evidence suggests that stress is a threat to marital satisfaction and its longevity. Research has been based upon theoretical models of stress in close relationships, specifically family stress models [e.g., Hill, R. (1958). Generic features of families under stress. Social Casework, 39, 139-150.; McCubbin, H. I., & Patterson, J. M. (1983). Family transitions: Adaptation to stress. In H. I. McCubbin & C. R. Figley (Eds.), Stress and the family: Coping with normative transitions (Vol. 2, pp. 5-25). New York: Brunner/Mazel] and couple's stress model's proposed by Karney, Story, and Bradbury [Karney, B. R., Story, L. B., & Bradbury, T. N. (2005). Marriages in context: Interactions between chronic an acute stress among newlyweds. In T. A. Revenson, K. Kayser, & G. Bodenmann (Eds.), Couples coping with stress: Emerging perspectives on dyadic coping (pp.13-32). American Psychological Association: Washington, D.C.] and Bodenmann [Bodenmann, G. (1995). A systemic-transactional conceptualization of stress and coping in couples. Swiss Journal of Psychology, 54, 34-49.; Bodenmann, G. (2005). Dyadic coping and its significant for marital functioning. In T. Revenson, K. Kayser, & G. Bodenmann (Eds.), Couples coping with stress: Emerging perspectives on dyadic coping (pp.33-50). American Psychological Association: Washington, D.C.]. In this review we: (1) examine the various theoretical models of stress, (2) analyze and summarize the typologies relating to stress models (internal versus external, major versus minor, acute versus chronic), and (3) summarize findings from stress research in couples that has practical significance and may inspire clinical work. Future directions in research and clincial significance are suggested.

Spectral biclustering of microarray data: coclustering genes and conditions.

PubMed

Kluger, Yuval; Basri, Ronen; Chang, Joseph T; Gerstein, Mark

2003-04-01

Global analyses of RNA expression levels are useful for classifying genes and overall phenotypes. Often these classification problems are linked, and one wants to find "marker genes" that are differentially expressed in particular sets of "conditions." We have developed a method that simultaneously clusters genes and conditions, finding distinctive "checkerboard" patterns in matrices of gene expression data, if they exist. In a cancer context, these checkerboards correspond to genes that are markedly up- or downregulated in patients with particular types of tumors. Our method, spectral biclustering, is based on the observation that checkerboard structures in matrices of expression data can be found in eigenvectors corresponding to characteristic expression patterns across genes or conditions. In addition, these eigenvectors can be readily identified by commonly used linear algebra approaches, in particular the singular value decomposition (SVD), coupled with closely integrated normalization steps. We present a number of variants of the approach, depending on whether the normalization over genes and conditions is done independently or in a coupled fashion. We then apply spectral biclustering to a selection of publicly available cancer expression data sets, and examine the degree to which the approach is able to identify checkerboard structures. Furthermore, we compare the performance of our biclustering methods against a number of reasonable benchmarks (e.g., direct application of SVD or normalized cuts to raw data).

Coupling of c  =  ‑2 and c =\\frac{1}{2} and c  =  0 conformal field theories: the geometrical point of view

NASA Astrophysics Data System (ADS)

Najafi, M. N.

2018-04-01

The coupling of the c  =  ‑2, c=\\frac{1}{2} and c  =  0 conformal field theories are numerically considered in this paper. As the prototypes of the couplings, (c_1=-2)\\oplus (c_2=0) and (c_1=-2)\\oplus (c_2=\\frac{1}{2}) , we consider the Bak–Tang–Weisenfeld (BTW) model on the 2D square critical site-percolation and the BTW model on Ising-correlated percolation lattices respectively. Some geometrical techniques are used to characterize the presumable conformal symmetry of the resultant systems. Based on the numerical analysis of the diffusivity parameter (κ) in the Schramm–Loewner evolution (SLE) theory we propose that the algebra of the central charges of the coupled models is closed. This result is based on the analysis of the conformal loop ensemble (CLE) analysis. The diffusivity parameter in each case is obtained by calculating the fractal dimension of loops (and the corresponding exponent of mean-square root distance), the direct SLE mapping method, the left passage probability and the winding angle analysis. More precisely we numerically show that the coupling (c_1=-2)\\oplus (c_2=\\frac{1}{2}) results to 2D self-avoiding walk (SAW) fixed point corresponding to c  =  0 conformal field theory, whereas the coupling (c_1=-2)\\oplus (c_2=0) results to the 2D critical Ising fixed point corresponding to the c=\\frac{1}{2} conformal field theory.

Magnetic-field-induced effects in the electronic structure of itinerant d- and f-metal systems

NASA Astrophysics Data System (ADS)

Grechnev, G. E.

2009-08-01

A paramagnetic response of transition metals and itinerant d- and f-metal compounds in an external magnetic field is studied by employing ab initio full-potential LMTO method in the framework of the local spin density approximation. Within this method the anisotropy of the magnetic susceptibility in hexagonal close-packed transition metals is evaluated for the first time. This anisotropy is owing to the orbital Van Vleck-like paramagnetic susceptibility, which is revealed to be substantial in transition-metal systems due to hybridization effects in the electronic structure. It is demonstrated that compounds TiCo, Ni3Al, YCo2, CeCo2, YNi5, LaNi5, and CeNi5 are strong paramagnets close to the quantum critical point. For these systems the Stoner approximation underestimates the spin susceptibility, whereas the calculated field-induced spin moments provide a good description of the large paramagnetic susceptibilities and magnetovolume effects. It is revealed that an itinerant description of hybridized f electrons produces magnetic properties of the compounds CeCo2, CeNi5, UAl3, UGa3, USi3, and UGe3 in close agreement with experiment. In the uranium compounds UX3 the strong spin-orbit coupling together with hybridization effects give rise to peculiar magnetic states in which the field-induced spin moments are antiparallel to the external field, and the magnetic response is dominated by the orbital contribution.

The comparison of two methods to manufacture fused biconical tapered optical fiber coupler

NASA Astrophysics Data System (ADS)

Wang, Yue; Liu, Hairong

2009-08-01

Optical fiber coupler is a directional coupler which is crucial component for optical fiber communication systems. The fused biconical taper is the most important method in facture of optical fiber coupler, with many advantages of low excess loss, precise coupling ratio, good consistency and stability. In this paper we have introduced a new method to manufacture optical fiber coupler. And more over the new manufacture process has been compared with the traditional manufacture method. In the traditional crafts, two optical fibers are parallel placed, and then use the method of tie a knot of the two optical fibers. In the new process, a new program of fiber placement is introduced. Two optical fibers are parallel placed in the middle of the fixture, and then in order to make the bare part of the optical fiber close as much as possible, the new plan using high temperature resistant material bind the both end of the fiber which are not removing the cladding. After many contrast tests, we can see that adopt the improved method of fiber placement, during the process of fiber pulling, the variation of optical power in the directional arm and the coupler arm are more smooth and steady. But the excess loss (EL) generated in the process of pulling is a bit higher than the traditional method of tie a knot. The tests show that the new method of optical fiber placement is feasible in the actual projects for the manufacture of coupler with low coupling ratio, but for the control of the EL still need further studying.

Chimera-type states induced by local coupling

NASA Astrophysics Data System (ADS)

Clerc, M. G.; Coulibaly, S.; Ferré, M. A.; García-Ñustes, M. A.; Rojas, R. G.

2016-05-01

Coupled oscillators can exhibit complex self-organization behavior such as phase turbulence, spatiotemporal intermittency, and chimera states. The latter corresponds to a coexistence of coherent and incoherent states apparently promoted by nonlocal or global coupling. Here we investigate the existence, stability properties, and bifurcation diagram of chimera-type states in a system with local coupling without different time scales. Based on a model of a chain of nonlinear oscillators coupled to adjacent neighbors, we identify the required attributes to observe these states: local coupling and bistability between a stationary and an oscillatory state close to a homoclinic bifurcation. The local coupling prevents the incoherent state from invading the coherent one, allowing concurrently the existence of a family of chimera states, which are organized by a homoclinic snaking bifurcation diagram.

Intimacy and Relationship Processes in Couples’ Psychosocial Adaptation to Cancer

PubMed Central

Manne, Sharon; Badr, Hoda

2015-01-01

The authors highlighted the importance of viewing cancer from a relationship perspective. This perspective not only considers the marital relationship as a resource that individual partners draw upon but also highlights the importance of focusing attention onto the relationship and engaging in communication behaviors aimed at sustaining and/or enhancing the relationship during stressful times. On the basis of existing conceptualizations, empiric research on couples and cancer, and the authors’ perspective on the literature, they formulated the relationship intimacy model of couples’ psychosocial adaptation to cancer as a first step toward building a framework for researchers and clinicians to inform their work in this area. The model proposes that patients and their partners engage in behaviors that either promote or undermine the level of closeness in their relationship and that the closeness of the marital relationship is an important determinant of patient and partner psychologic adaptation to cancer. Preliminary data from a couples’ intimacy-enhancing intervention for breast cancer patients and their partners supported the model. Of the 25 couples who consented to participate in the intervention and completed the preintervention surveys, 15 couples completed all 5 sessions, and 12 couples completed the follow-up survey. The current results suggested that the intervention improved patient and partner perceptions of the closeness of their relationship and reduced their distress. The authors also discuss limitations of the relationship intimacy model as well as future directions for empiric and clinical research on couples’ psychosocial adaptation to cancer. PMID:18428202

Orbital-optimized MP2.5 and its analytic gradients: Approaching CCSD(T) quality for noncovalent interactions

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

Bozkaya, Uğur, E-mail: ugur.bozkaya@atauni.edu.tr; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332; Sherrill, C. David

2014-11-28

Orbital-optimized MP2.5 [or simply “optimized MP2.5,” OMP2.5, for short] and its analytic energy gradients are presented. The cost of the presented method is as much as that of coupled-cluster singles and doubles (CCSD) [O(N{sup 6}) scaling] for energy computations. However, for analytic gradient computations the OMP2.5 method is only half as expensive as CCSD because there is no need to solve λ{sub 2}-amplitude equations for OMP2.5. The performance of the OMP2.5 method is compared with that of the standard second-order Møller–Plesset perturbation theory (MP2), MP2.5, CCSD, and coupled-cluster singles and doubles with perturbative triples (CCSD(T)) methods for equilibrium geometries, hydrogenmore » transfer reactions between radicals, and noncovalent interactions. For bond lengths of both closed and open-shell molecules, the OMP2.5 method improves upon MP2.5 and CCSD by 38%–43% and 31%–28%, respectively, with Dunning's cc-pCVQZ basis set. For complete basis set (CBS) predictions of hydrogen transfer reaction energies, the OMP2.5 method exhibits a substantially better performance than MP2.5, providing a mean absolute error of 1.1 kcal mol{sup −1}, which is more than 10 times lower than that of MP2.5 (11.8 kcal mol{sup −1}), and comparing to MP2 (14.6 kcal mol{sup −1}) there is a more than 12-fold reduction in errors. For noncovalent interaction energies (at CBS limits), the OMP2.5 method maintains the very good performance of MP2.5 for closed-shell systems, and for open-shell systems it significantly outperforms MP2.5 and CCSD, and approaches CCSD(T) quality. The MP2.5 errors decrease by a factor of 5 when the optimized orbitals are used for open-shell noncovalent interactions, and comparing to CCSD there is a more than 3-fold reduction in errors. Overall, the present application results indicate that the OMP2.5 method is very promising for open-shell noncovalent interactions and other chemical systems with difficult electronic structures.« less

First Principles Predictions of the Structure and Function of G-Protein-Coupled Receptors: Validation for Bovine Rhodopsin

PubMed Central

Trabanino, Rene J.; Hall, Spencer E.; Vaidehi, Nagarajan; Floriano, Wely B.; Kam, Victor W. T.; Goddard, William A.

2004-01-01

G-protein-coupled receptors (GPCRs) are involved in cell communication processes and with mediating such senses as vision, smell, taste, and pain. They constitute a prominent superfamily of drug targets, but an atomic-level structure is available for only one GPCR, bovine rhodopsin, making it difficult to use structure-based methods to design receptor-specific drugs. We have developed the MembStruk first principles computational method for predicting the three-dimensional structure of GPCRs. In this article we validate the MembStruk procedure by comparing its predictions with the high-resolution crystal structure of bovine rhodopsin. The crystal structure of bovine rhodopsin has the second extracellular (EC-II) loop closed over the transmembrane regions by making a disulfide linkage between Cys-110 and Cys-187, but we speculate that opening this loop may play a role in the activation process of the receptor through the cysteine linkage with helix 3. Consequently we predicted two structures for bovine rhodopsin from the primary sequence (with no input from the crystal structure)—one with the EC-II loop closed as in the crystal structure, and the other with the EC-II loop open. The MembStruk-predicted structure of bovine rhodopsin with the closed EC-II loop deviates from the crystal by 2.84 Å coordinate root mean-square (CRMS) in the transmembrane region main-chain atoms. The predicted three-dimensional structures for other GPCRs can be validated only by predicting binding sites and energies for various ligands. For such predictions we developed the HierDock first principles computational method. We validate HierDock by predicting the binding site of 11-cis-retinal in the crystal structure of bovine rhodopsin. Scanning the whole protein without using any prior knowledge of the binding site, we find that the best scoring conformation in rhodopsin is 1.1 Å CRMS from the crystal structure for the ligand atoms. This predicted conformation has the carbonyl O only 2.82 Å from the N of Lys-296. Making this Schiff base bond and minimizing leads to a final conformation only 0.62 Å CRMS from the crystal structure. We also used HierDock to predict the binding site of 11-cis-retinal in the MembStruk-predicted structure of bovine rhodopsin (closed loop). Scanning the whole protein structure leads to a structure in which the carbonyl O is only 2.85 Å from the N of Lys-296. Making this Schiff base bond and minimizing leads to a final conformation only 2.92 Å CRMS from the crystal structure. The good agreement of the ab initio-predicted protein structures and ligand binding site with experiment validates the use of the MembStruk and HierDock first principles' methods. Since these methods are generic and applicable to any GPCR, they should be useful in predicting the structures of other GPCRs and the binding site of ligands to these proteins. PMID:15041637

Compliant, low profile, independently releasing, non-protruding and genderless docking system for robotic modules

NASA Technical Reports Server (NTRS)

Khoshnevis, Behrokh (Inventor)

2010-01-01

An apparatus for coupling with a mating coupling module to facilitate the joining of two disjoined structures without requiring precise alignment between the disjoined structures during the coupling of them may include a rotating drive mechanism, a hollow cylindrical body operatively connected to the rotating drive mechanism, wherein the hollow cylindrical body has at least one internal spiral channel, and at least one connector claw positioned within the hollow cylindrical body and guided by the internal spiral channel, wherein the at least one connector claw is configured to extend outwardly from the coupling module to engage the mating coupling module when brought in close proximity but not necessarily in precise alignment with the mating coupling module.

Spectral modeling of radiation in combustion systems

NASA Astrophysics Data System (ADS)

Pal, Gopalendu

Radiation calculations are important in combustion due to the high temperatures encountered but has not been studied in sufficient detail in the case of turbulent flames. Radiation calculations for such problems require accurate, robust, and computationally efficient models for the solution of radiative transfer equation (RTE), and spectral properties of radiation. One more layer of complexity is added in predicting the overall heat transfer in turbulent combustion systems due to nonlinear interactions between turbulent fluctuations and radiation. The present work is aimed at the development of finite volume-based high-accuracy thermal radiation modeling, including spectral radiation properties in order to accurately capture turbulence-radiation interactions (TRI) and predict heat transfer in turbulent combustion systems correctly and efficiently. The turbulent fluctuations of temperature and chemical species concentrations have strong effects on spectral radiative intensities, and TRI create a closure problem when the governing partial differential equations are averaged. Recently, several approaches have been proposed to take TRI into account. Among these attempts the most promising approaches are the probability density function (PDF) methods, which can treat nonlinear coupling between turbulence and radiative emission exactly, i.e., "emission TRI". The basic idea of the PDF method is to treat physical variables as random variables and to solve the PDF transport equation stochastically. The actual reacting flow field is represented by a large number of discrete stochastic particles each carrying their own random variable values and evolving with time. The mean value of any function of those random variables, such as the chemical source term, can be evaluated exactly by taking the ensemble average of particles. The local emission term belongs to this class and thus, can be evaluated directly and exactly from particle ensembles. However, the local absorption term involves interactions between the local particle and energy emitted by all other particles and, hence, cannot be obtained from particle ensembles directly. To close the nonlinear coupling between turbulence and absorption, i.e., "absorption TRI", an optically thin fluctuation approximation can be applied to virtually all combustion problems and obtain acceptable accuracy. In the present study a composition-PDF method is applied, in which only the temperature and the species concentrations are treated as random variables. A closely coupled hybrid finite-volume/Monte Carlo scheme is adopted, in which the Monte Carlo method is used to solve the composition-PDF for chemical reactions and the finite volume method is used to solve for the flow field and radiation. Spherical harmonics method-based finite volume solvers (P-1 and P-3) are developed using the data structures of the high fidelity open-source code flow software OpenFOAM. Spectral radiative properties of the participating medium are modeled using full-spectrum k-distribution methods. Advancements of basic k-distribution methods are performed for nongray nonhomogeneous gas- and particulate-phase (soot, fuel droplets, ash, etc.) participating media using multi-scale and multi-group based approaches. These methods achieve close-to benchmark line-by-line (LBL) accuracy in strongly inhomogeneous media at a tiny fraction of LBL's computational cost. A portable spectral module is developed, which includes all the basic to advanced k-distribution methods along with the precompiled accurate and compact k-distribution databases. The P-1 /P-3 RTE solver coupled with the spectral module is used in conjunction with the combined Reynolds-averaged Navier-Stokes (RANS) and composition-PDF-based turbulence-chemistry solver to investigate TRI in multiphase turbulent combustion systems. The combustion solvers developed in this study is employed to simulate several turbulent jet flames, such as Sandia Flame D, and artificial nonsooting and sooting flames derived from Flame D. The effects of combustion chemistry, radiation and TRI on total heat transfer and pollutant (such as NO x) generation are studied for the above flames. The accuracy of the overall combustion solver is assessed by comparing it with the experimental data for Flame D. Comparison of the accuracy and the computational cost among various spectral models and RTE solvers is extensively done on the artificial flames derived from Flame D to demonstrate the necessity of accurate modeling of radiation in combustion problems.

Exploring the limits of the self-consistent Born approximation for inelastic electronic transport

NASA Astrophysics Data System (ADS)

Lee, William; Jean, Nicola; Sanvito, Stefano

2009-02-01

The nonequilibrium Green’s function formalism is today the standard computational method for describing elastic transport in molecular devices. This can be extended to include inelastic scattering by the so-called self-consistent Born approximation (SCBA), where the interaction of the electrons with the vibrations of the molecule is assumed to be weak and it is treated perturbatively. The validity of such assumption and therefore of the SCBA is difficult to establish with certainty. In this work we explore the limitations of the SCBA by using a simple tight-binding model with the electron-phonon coupling strength α chosen as a free parameter. As model devices we consider Au monatomic chains and a H2 molecule sandwiched between Pt electrodes. In both cases, our self-consistent calculations demonstrate a breakdown of the SCBA for large α and we identify a weak and a strong-coupling regime. For weak coupling our SCBA results compare closely with those obtained with exact scattering theory. However in the strong-coupling regime large deviations are found. In particular we demonstrate that there is a critical coupling strength, characteristic of the materials system, beyond which multiple self-consistent solutions can be found depending on the initial conditions in the simulation. These are entirely due to the large contribution of the Hartree self-energy and completely disappear when this is neglected. We attribute this feature to the breakdown of the perturbative expansion leading to the SCBA.

Aeroelastic oscillations of a cantilever with structural nonlinearities: theory and numerical simulation.

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

Robinson, Brandon; Rocha da Costa, Leandro Jose; Poirel, Dominique

Our study details the derivation of the nonlinear equations of motion for the axial, biaxial bending and torsional vibrations of an aeroelastic cantilever undergoing rigid body (pitch) rotation at the base. The primary attenstion is focussed on the geometric nonlinearities of the system, whereby the aeroelastic load is modeled by the theory of linear quasisteady aerodynamics. This modelling effort is intended to mimic the wind-tunnel experimental setup at the Royal Military College of Canada. While the derivation closely follows the work of Hodges and Dowell [1] for rotor blades, this aeroelastic system contains new inertial terms which stem from themore » fundamentally different kinematics than those exhibited by helicopter or wind turbine blades. Using the Hamilton’s principle, a set of coupled nonlinear partial differential equations (PDEs) and an ordinary differential equation (ODE) are derived which describes the coupled axial-bending-bending-torsion-pitch motion of the aeroelastic cantilever with the pitch rotation. The finite dimensional approximation of the coupled system of PDEs are obtained using the Galerkin projection, leading to a coupled system of ODEs. Subsequently, these nonlinear ODEs are solved numerically using the built-in MATLAB implicit ODE solver and the associated numerical results are compared with those obtained using Houbolt’s method. It is demonstrated that the system undergoes coalescence flutter, leading to a limit cycle oscillation (LCO) due to coupling between the rigid body pitching mode and teh flexible mode arising from the flapwise bending motion.« less

Symmetry Breaking and Optical Negative Index of Closed Nanorings

NASA Astrophysics Data System (ADS)

Kante, Boubacar; Park, Yong-Shik; O'Brien, Kevin; Shuldman, Daniel; Lanzillotti-Kimura, Norberto; Wong, Zi; Yin, Xiaobo; Zhang, Xiang; UC Berkeley Team

2013-03-01

We report the first experimental demonstration of broadband negative-index metamaterial made solely of closed metallic nanorings. Using symmetry breaking that negatively couples the discrete nanorings, we measured negative phase delay in our composite chess metamaterial. Our approach open avenues towards topological nanophotonics with on demand linear and non-linear responses.

Emission performance of ceramic preconverters evaluated by FTP and Euro Stage III emission test cycle

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

Locker, R.J.; Then, P.M.; Zink, U.

1996-09-01

Preconverters and close-coupled main converters are viewed as key components in advanced emission systems to help the auto industry comply with tightened emission regulations in North America and Europe. Due to their close position to the exhaust manifold when compared to current main catalysts, the mechanical and thermal durability requirements on such close-coupled converters are significantly increased. A set of representative preconverter systems, with respect to back pressure and surface area, ceramic and metal substrate material was exposed to a 100 hour engine aging cycle, which is equivalent to approximately 80,000 kilometers under European driving conditions. This aging cycle ismore » used by the German Autoconsortium (ZDAKW). In order to address the high thermal load in a close-coupled position, the preconverter inlet gas temperature has been elevated to a maximum of 950 C at stoichiometry. Maximum preconverter midbed temperature has been found close to 1,000 C. State-of-the-art catalytic coatings were used on the preconverters (Pd-only) and main converters (Trimetal). Emission tests using the new European test cycle (EDC 99), as well as the FTP 75 test cycle have been used to evaluate the catalytic performance. These tests were done during the aging at 20, 60 and 100 hours on the preconverters alone and on the combination of pre- and main converters. The impact of air injection has been studied on the complete preconverter/mainconverter system. The Celcor XT{trademark} ceramic preconverter proved mechanically and catalytically intact during the severe 100 hour aging cycle. The metallic and ceramic preconverter systems demonstrated equivalent catalytic performance.« less

Don't Panic! Closed String Tachyons in ALE Spacetimes

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

Silverstein, Eva M

2001-08-20

We consider closed string tachyons localized at the fixed points of noncompact nonsupersymmetric orbifolds. We argue that tachyon condensation drives these orbifolds to flat space or supersymmetric ALE spaces. The decay proceeds via an expanding shell of dilaton gradients and curvature which interpolates between two regions of distinct angular geometry. The string coupling remains weak throughout. For small tachyon VEVs, evidence comes from quiver theories on D-branes probes, in which deformations by twisted couplings smoothly connect non-supersymmetric orbifolds to supersymmetric orbifolds of reduced order. For large tachyon VEVs, evidence comes from worldsheet RG flow and spacetime gravity. For C{sup 2}/Z{submore » n}, we exhibit infinite sequences of transitions producing SUSY ALE spaces via twisted closed string condensation from non-supersymmetric ALE spaces. In a T-dual description this provides a mechanism for creating NS5-branes via closed string tachyon condensation similar to the creation of D-branes via open string tachyon condensation. We also apply our results to recent duality conjectures involving fluxbranes and the type 0 string.« less

Effective collision strengths for forbidden transitions among the 3s23p3 fine-structure levels of CL IIIIII

NASA Astrophysics Data System (ADS)

Ramsbottom, C. A.; Bell, K. L.; Keenan, F. P.

1999-08-01

Effective collision strengths for the 10 astrophysically important fine-structure forbidden transitions among the ^4S^o, ^2D^o and ^2P^o levels in the 3s^23p^3 configuration of Cliii are presented. The calculation employs the multichannel R-matrix method to compute the electron-impact excitation collision strengths in a close-coupling expansion, which incorporates the lowest 23 LS target eigenstates of Cliii. These states are formed from the 3s^23p^3, 3s3p^4, 3s^23p^23d and 3s^23p^24s configurations. The Maxwellian-averaged effective collision strengths are presented graphically for all 10 fine-structure transitions over a wide range of electron temperatures appropriate for astrophysical applications [logT(K)=3.3-logT(K)=5.9]. Comparisons are made with the earlier seven-state close-coupling calculation of Butler & Zeippen, and in general excellent agreement is found in the low-temperature region where a comparison is possible [logT(K)=3.3-logT(K)=4.7]. However, discrepancies of up to 30 per cent are found to occur for the forbidden transitions which involve the ^4S^o ground state level, particularly for the lowest temperatures considered. At the higher temperatures, the present data are the only reliable results currently available.

Microcavities coupled to multilevel atoms

NASA Astrophysics Data System (ADS)

Schmid, Sandra Isabelle; Evers, Jörg

2011-11-01

A three-level atom in the Λ configuration coupled to a microcavity is studied. The two transitions of the atom are assumed to couple to different counterpropagating mode pairs in the cavity. We analyze the dynamics both in the strong-coupling and the bad-cavity limits. We find that, compared to a two-level setup, the third atomic state and the additional control field modes crucially modify the system dynamics and enable more advanced control schemes. All results are explained using appropriate dressed-state and eigenmode representations. As potential applications, we discuss optical switching and turnstile operations and detection of particles close to the resonator surface.

Study of the Forced Response of a Clamped Circular Plate Coupled to a Uni-Dimensional Acoustic Cavity

NASA Astrophysics Data System (ADS)

Curà, F.; Curti, G.; Mantovani, M.

1996-03-01

The subject of this paper is an experimental and analytical study of a structural-acoustical coupling problem. To simplify the issue, the analytical model considered here consists of a uni-dimensional acoustic cavity coupled to a one-degree-of-freedom system (mass, spring and damper). An harmonic excitation force is applied to the mass of the oscillator. In the theoretical analysis, the uni-dimensional cavity is subjected, in correspondence of its end sections, to boundary conditions, which are either the usual ones (closed or open ended) or those deriving from the coupling with the oscillator. This simple model proved to be very useful to investigate the influence of the variation of both the geometrical parameters (i.e., the length of the cavity) and the physical parameters (i.e., mass, damping coefficient and stiffness of the oscillator). The analytical results are compared to those obtained experimentally on a real coupled system, consisting of a cavity enclosed by an acoustically rigid steel cylinder, closed at one end by a movable, acoustically rigid piston and at the other end by a flexible plate, clamped around its edge by the cylinder. Thus the length of the cavity can be varied by simply moving the rigid piston.

Charge exchange cross sections in slow collisions of Si3+ with Hydrogen atom

NASA Astrophysics Data System (ADS)

Joseph, Dwayne; Quashie, Edwin; Saha, Bidhan

2011-05-01

In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. Work supported by NSF CREST project (grant #0630370).

Charge-transfer cross sections in collisions of ground-state Ca and H+

NASA Astrophysics Data System (ADS)

Dutta, C. M.; Oubre, C.; Nordlander, P.; Kimura, M.; Dalgarno, A.

2006-03-01

We have investigated collisions of Ca(4s2) with H+ in the energy range of 200eV/u-10keV/u using the semiclassical molecular-orbital close-coupling (MOCC) method with 18 coupled molecular states ( 11Σ+1 and seven Π+1 states) to determine charge-transfer cross sections. Except for the incoming channel 6Σ+1 , the molecular states all correspond to charge-transfer channels. Inclusion of Ca2+-H- is crucial in the configuration-interaction calculation for generating the molecular wave functions and potentials. Because of the Coulomb attraction, the state separating to Ca2+-H- creates many avoided crossings, even though at infinite separation it lies energetically above all other states that we included. Because of the avoided crossings between the incoming channel 6Σ+1 and the energetically close charge-transfer channel 7Σ+1 the charge-transfer interaction occurs at long range. This makes calculations of charge-transfer cross sections by the MOCC method very challenging. The total charge-transfer cross sections increase monotonically from 3.4×10-15cm2 at 200eV/u to 4.5×10-15cm2 at 10keV/u . Charge transfer occurs mostly to the excited Ca+(5p) state in the entire energy range, which is the sum of the charge transfer to 7Σ+1 and 4Π+1 . It accounts for ˜47% of the total charge transfer cross sections at 200eV/u . However, as the energy increases, transfer to Ca+(4d) increases, and at 10keV/u the charge-transfer cross sections for Ca+(5p) and Ca+(4d) become comparable, each giving ˜38% of the total cross section.

Determination of rare earth and concomitant elements in magnesium alloys by inductively coupled plasma optical emission spectrometry.

PubMed

Fariñas, Juan C; Rucandio, Isabel; Pomares-Alfonso, Mario S; Villanueva-Tagle, Margarita E; Larrea, María T

2016-07-01

An Inductively Coupled Plasma Optical Emission Spectrometry method for simultaneous determination of Al, Ca, Cu, Fe, In, Mn, Ni, Si, Sr, Y, Zn, Zr and rare earth elements (La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu) in magnesium alloys, including the new rare earth elements-alloyed magnesium, has been developed. Robust conditions have been established as nebulizer argon flow rate of 0.5mLmin(-1) and RF incident power of 1500W, in which matrix effects were significantly reduced around 10%. Three acid digestion procedures were performed at 110°C in closed PFA vessels heated in an oven, in closed TFM vessels heated in a microwave furnace, and in open polypropylene tubes with reflux caps heated in a graphite block. The three digestion procedures are suitable to put into solution the magnesium alloys samples. From the most sensitive lines, one analytical line with lack or low spectral interferences has been selected for each element. Mg, Rh and Sc have been studied as internal standards. Among them, Rh was selected as the best one by using Rh I 343.488nm and Rh II 249.078nm lines as a function of the analytical lines. The trueness and precision have been established by using the Certified Reference Material BCS 316, as well as by means of recovery studies. Quantification limits were between 0.1 and 9mgkg(-1) for Lu and Pr, respectively, in a 2gL(-1) magnesium matrix solution. The method developed has been applied to the commercial alloys AM60, AZ80, ZK30, AJ62, WE54 and AE44. Copyright © 2016 Elsevier B.V. All rights reserved.

Dynamics of the Transition Corona

NASA Technical Reports Server (NTRS)

Masson, Sophie; McCauley, Patrick; Golub, Leon; Reeves, Katharine K.; DeLuca, Edward E.

2014-01-01

Magnetic reconnection between the open and closed magnetic fields in the corona is believed to play a crucial role in the corona/heliosphere coupling. At large scale, the exchange of open/closed connectivity is expected to occur in pseudo-streamer (PS) structures. However, there is neither clear observational evidence of how such coupling occurs in PSs, nor evidence for how the magnetic reconnection evolves. Using a newly developed technique, we enhance the off-limb magnetic fine structures observed with the Atmospheric Imaging Assembly and identify a PS-like feature located close to the northern coronal hole. We first identify that the magnetic topology associated with the observation is a PS, null-point (NP) related topology bounded by the open field. By comparing the magnetic field configuration with the extreme ultraviolet (EUV) emission regions, we determined that most of the magnetic flux associated with plasma emission are small loops below the PS basic NP and open field bounding the PS topology. In order to interpret the evolution of the PS, we referred to a three-dimensional MHD interchange reconnection modeling the exchange of connectivity between small closed loops and the open field. The observed PS fine structures follow the dynamics of the magnetic field before and after reconnecting at the NP obtained by the interchange model. Moreover, the pattern of the EUV plasma emission is the same as the shape of the expected plasma emission location derived from the simulation. These morphological and dynamical similarities between the PS observations and the results from the simulation strongly suggest that the evolution of the PS, and in particular the opening/closing of the field, occurs via interchange/slipping reconnection at the basic NP of the PS. Besides identifying the mechanism at work in the large-scale coupling between the open and closed fields, our results highlight that interchange reconnection in PSs is a gradual physical process that differs from the impulsive reconnection of the solar-jet model.

Optical mapping system with real-time control capability.

PubMed

Iravanian, Shahriar; Christini, David J

2007-10-01

Real-time, closed-loop intervention is an emerging experiment-control method that promises to provide invaluable new insight into cardiac electrophysiology. One example is the investigation of closed-loop feedback control of cardiac activity (e.g., alternans) as a possible method of preventing arrhythmia onset. To date, such methods have been investigated only in vitro using microelectrode systems, which are hindered by poor spatial resolution and are not well suited for atrial or ventricular tissue preparations. We have developed a system that uses optical mapping techniques and an electrical stimulator as the sensory and effector arms, respectively, of a closed-loop, real-time control system. The system consists of a 2,048 x 1 pixel line-scan charge-coupled device camera that records optical signals from the tissue. Custom-image processing and control software, which is implemented on top of a hard real-time operation system (RTAI Linux), process the data and make control decisions with a deterministic delay of <1 ms. The system is tested in two ways: 1) it is used to control, in real time, simulated optical signals of electrical alternans; and 2) it uses precisely timed, feedback-controlled initiation of antitachycardia pacing to terminate reentrant arrhythmias in an arterially perfused swine right ventricle stained with voltage-sensitive fluorescent dye 4{beta-[2-(di-n-butylamino)-6-napathy]vinyl}pyridinium (di-4-ANEPPS). Thus real-time control of cardiac activity using optical mapping techniques is feasible. Such a system is attractive because it offers greater measurement resolution than the electrode-based systems with which real-time control has been used previously.

Types of marital closeness and mortality risk in older couples.

PubMed

Tower, Roni Beth; Kasl, Stanislav V; Darefsky, Amy S

2002-01-01

This study examines the impact of marital closeness on survival over 6 years in a community-dwelling sample of 305 older couples. Closeness is defined as 1) naming one's spouse as a confidant or source of emotional support (vs. not naming) and 2) being named by spouse on at least one of the two dimensions (vs. not being named). The survival effects of both naming and being named are examined in Cox proportional hazard regressions, controlling for sociodemographic, health status, and behavioral variables. Husbands who were named by their wives but did not name them were least likely to have died after 6 years. Compared with them, husbands in marriages with the other three styles of closeness were from 3.30 to 4.68 times more likely to be dead. Wives' results showed the same pattern of effects, with the same marital style being most protective as for husbands, but the effects were weaker. However, wives' results were strongly moderated by parenting status: those who had ever had children who were in the marital closeness pattern of wife naming husband but not being named by him were highly protected. Compared with these wives, others who had had children were from 8.26 to 10.95 times less likely to be alive after 6 years. The same pattern of marital closeness most benefited husbands and those wives who had had children. These findings are not explained adequately by social support or marital role theory although they fit the latter more closely.

Phase Transition of a Dynamical System with a Bi-Directional, Instantaneous Coupling to a Virtual System

NASA Astrophysics Data System (ADS)

Gintautas, Vadas; Hubler, Alfred

2006-03-01

As worldwide computer resources increase in power and decrease in cost, real-time simulations of physical systems are becoming increasingly prevalent, from laboratory models to stock market projections and entire ``virtual worlds'' in computer games. Often, these systems are meticulously designed to match real-world systems as closely as possible. We study the limiting behavior of a virtual horizontally driven pendulum coupled to its real-world counterpart, where the interaction occurs on a time scale that is much shorter than the time scale of the dynamical system. We find that if the physical parameters of the virtual system match those of the real system within a certain tolerance, there is a qualitative change in the behavior of the two-pendulum system as the strength of the coupling is increased. Applications include a new method to measure the physical parameters of a real system and the use of resonance spectroscopy to refine a computer model. As virtual systems better approximate real ones, even very weak interactions may produce unexpected and dramatic behavior. The research is supported by the National Science Foundation Grant No. NSF PHY 01-40179, NSF DMS 03-25939 ITR, and NSF DGE 03-38215.

Results of including geometric nonlinearities in an aeroelastic model of an F/A-18

NASA Technical Reports Server (NTRS)

Buttrill, Carey S.

1989-01-01

An integrated, nonlinear simulation model suitable for aeroelastic modeling of fixed-wing aircraft has been developed. While the author realizes that the subject of modeling rotating, elastic structures is not closed, it is believed that the equations of motion developed and applied herein are correct to second order and are suitable for use with typical aircraft structures. The equations are not suitable for large elastic deformation. In addition, the modeling framework generalizes both the methods and terminology of non-linear rigid-body airplane simulation and traditional linear aeroelastic modeling. Concerning the importance of angular/elastic inertial coupling in the dynamic analysis of fixed-wing aircraft, the following may be said. The rigorous inclusion of said coupling is not without peril and must be approached with care. In keeping with the same engineering judgment that guided the development of the traditional aeroelastic equations, the effect of non-linear inertial effects for most airplane applications is expected to be small. A parameter does not tell the whole story, however, and modes flagged by the parameter as significant also need to be checked to see if the coupling is not a one-way path, i.e., the inertially affected modes can influence other modes.

Assess Climate Change's Impact on Coastal Rivers using a Coupled Climate-Hydrology Model

NASA Astrophysics Data System (ADS)

Xue, Z. G.; Gochis, D.; Yu, W.; Zang, Z.; Sampson, K. M.; Keim, B. D.

2016-12-01

In this study we present a coupled climate-hydrological model reproducing the water cycle of three coastal river basins along the northern Gulf of Mexico for the past three decades (1985-2014). Model simulated climate condition, surface physics, and streamflow were well validated against in situ data and satellite-derived products, giving us the confidence that the newly developed WRF-Hydro model can be a robust tool for evaluating climate change's impact on hydrological regime. Trend analysis of model simulated monthly and annual time series indicates that local climate is getting hotter and dryer, specifically during the growing season. Wavelet analysis reveals that local evapotranspiration is strongly correlated with temperature, while soil moisture, water surplus, and streamflow are coupled with precipitation. In addition, local climate is closely correlated with large-scale climate dynamics such as AMO and ENSO. A possible change-point is detected around year 2004, after which, the monthly precipitation decreased by 14.2%, evapotranspiration increased by 2.9%, and water surplus decreased by 36.5%. The implication of the difference between the water surplus (runoff) calculated using the classic Thornthwaite method and river discharge estimated using streamflow records to the coastal environment is also discussed.

Radiation patterns of dual concentric conductor microstrip antennas for superficial hyperthermia.

PubMed

Stauffer, P R; Rossetto, F; Leoncini, M; Gentilli, G B

1998-05-01

The finite difference time domain (FDTD) method has been used to calculate electromagnetic radiation patterns from 915-MHz dual concentric conductor (DCC) microwave antennas that are constructed from thin and flexible printed circuit board (PCB) materials. Radiated field distributions are calculated in homogeneous lossy muscle tissue loads located under variable thickness coupling bolus layers. This effort extends the results of previous investigations to consider more realistic applicator configurations with smaller 2-cm-square apertures and different coupling bolus materials and thicknesses, as well as various spacings of multiple-element arrays. Results are given for practical applicator designs with microstrip feedlines etched on the backside of the PCB antenna array instead of previously tested bulky coaxial-cable feedline connections to each radiating aperture. The results demonstrate that for an optimum coupling bolus thickness of 2.5-5 mm, the thin, flexible, and lightweight DCC antennas produce effective heating to the periphery of each aperture to a depth of approximately 1 cm, and may be combined into arrays for uniform heating of large area superficial tissue regions with the 50% power deposition contour conforming closely to the outer perimeter of the array.

Understanding of Coupled Terrestrial Carbon, Nitrogen and Water Dynamics—An Overview

PubMed Central

Chen, Baozhang; Coops, Nicholas C.

2009-01-01

Coupled terrestrial carbon (C), nitrogen (N) and hydrological processes play a crucial role in the climate system, providing both positive and negative feedbacks to climate change. In this review we summarize published research results to gain an increased understanding of the dynamics between vegetation and atmosphere processes. A variety of methods, including monitoring (e.g., eddy covariance flux tower, remote sensing, etc.) and modeling (i.e., ecosystem, hydrology and atmospheric inversion modeling) the terrestrial carbon and water budgeting, are evaluated and compared. We highlight two major research areas where additional research could be focused: (i) Conceptually, the hydrological and biogeochemical processes are closely linked, however, the coupling processes between terrestrial C, N and hydrological processes are far from well understood; and (ii) there are significant uncertainties in estimates of the components of the C balance, especially at landscape and regional scales. To address these two questions, a synthetic research framework is needed which includes both bottom-up and top-down approaches integrating scalable (footprint and ecosystem) models and a spatially nested hierarchy of observations which include multispectral remote sensing, inventories, existing regional clusters of eddy-covariance flux towers and CO2 mixing ratio towers and chambers. PMID:22291528

Understanding of coupled terrestrial carbon, nitrogen and water dynamics-an overview.

PubMed

Chen, Baozhang; Coops, Nicholas C

2009-01-01

Coupled terrestrial carbon (C), nitrogen (N) and hydrological processes play a crucial role in the climate system, providing both positive and negative feedbacks to climate change. In this review we summarize published research results to gain an increased understanding of the dynamics between vegetation and atmosphere processes. A variety of methods, including monitoring (e.g., eddy covariance flux tower, remote sensing, etc.) and modeling (i.e., ecosystem, hydrology and atmospheric inversion modeling) the terrestrial carbon and water budgeting, are evaluated and compared. We highlight two major research areas where additional research could be focused: (i) Conceptually, the hydrological and biogeochemical processes are closely linked, however, the coupling processes between terrestrial C, N and hydrological processes are far from well understood; and (ii) there are significant uncertainties in estimates of the components of the C balance, especially at landscape and regional scales. To address these two questions, a synthetic research framework is needed which includes both bottom-up and top-down approaches integrating scalable (footprint and ecosystem) models and a spatially nested hierarchy of observations which include multispectral remote sensing, inventories, existing regional clusters of eddy-covariance flux towers and CO(2) mixing ratio towers and chambers.

Analytical Solution for the Aeroelastic Response of a Two-Dimensional Elastic Plate in Axial Flow

NASA Astrophysics Data System (ADS)

Medina, Cory; Kang, Chang-Kwon

2017-11-01

The aeroelastic response of an elastic plate in an unsteady flow describes many engineering problems from bio-locomotion, deforming airfoils, to energy harvesting. However, the analysis is challenging because the shape of the plate is a priori unknown. This study presents an analytical model that can predict the two-way tightly coupled aeroelastic response of a two-dimensional elastic plate including the effects of plate curvature along the flow direction. The plate deforms due to the dynamic balance of wing inertia, elastic restoring force, and aerodynamic force. The coupled model utilizes the linearized Euler-Bernoulli beam theory for the structural model and thin airfoil theory as presented by Theodorsen, which assumes incompressible potential flow, for the aerodynamic model. The coupled equations of motion are solved via Galerkin's method, where closed form solutions for the plate deformation are obtained by deriving the unsteady aerodynamic pressure with respect to the plate normal functions, expressed in a Chebyshev polynomial expansion. Stability analysis is performed for a range of mass ratios obtaining the flutter velocities and corresponding frequencies and the results agree well with the results reported in the literature.

Scaling theory of tunneling diffusion of a heavy particle interacting with phonons

NASA Astrophysics Data System (ADS)

Itai, K.

1988-05-01

The author discusses motion of a heavy particle in a d-dimensional lattice interacting with phonons by different couplings. The models discussed are characterized by the dimension (d) and the set of two indices (λ,ν) which specify the momentum dependence of the dispersion of phonon energy (ω~kν) and of the particle-phonon coupling (~kλ). Scaling equations are derived by eliminating the short-time behavior in a renormalization-group scheme using Feynman's path-integral method, and the technique developed by Anderson, Yuval, and Hamann for the Kondo problem. The scaling equations show that the particle is localized in the strict sense when (2λ+d+2)/ν<2 and is not localized when (2λ+d+2)/ν>2. In the marginal case, i.e., (2λ+d+2)/ν=2, localization occurs for couplings larger than a critical value. This marginal case shows Ohmic dissipation and is a close analogy to the Caldeira-Leggett model for macroscopic quantum tunneling and the hopping models of Schmid's type. For large-enough (2λ+d+2)/ν, the particle is considered practically localized, but the origin of the localization is quite different from that for (2λ+d+2)/ν<=2. .AE

Gender inequality and the 'East-West' divide in contraception: An analysis at the individual, the couple, and the country level.

PubMed

Dereuddre, Rozemarijn; Van de Velde, Sarah; Bracke, Piet

2016-07-01

Despite generally low fertility rates in Europe, contraceptive behavior varies to a substantial extent. The dichotomy between Western, and Central and Eastern European countries is particularly relevant. Whereas the former are characterized by the widespread use of modern contraception, the latter show a high prevalence of traditional methods to control fertility. The current study aims to examine whether these differences can be attributed to differences in women's individual status, and in gender inequality at the couple and the country level. We combine data from the Generations and Gender Survey (2004-2011) and the Demographic Health Survey (2005-2009), covering seventeen European countries, to perform multinomial multilevel analyses. The results confirm that higher educated and employed women, and women who have an equal occupational status relative to their partner are more likely to use modern reversible contraception instead of no, traditional, or permanent methods. Absolute and relative employment are also positively related to using female instead of male methods. Furthermore, it is shown that higher levels of country-level gender equality are associated with a higher likelihood of using modern reversible and female methods, but not sterilization. Particularly country levels of gender equality are linked to the East-West divide in type of contraceptive method used. Our findings underscore that women's higher status is closely related to their use of effective, female contraception. Copyright © 2016 Elsevier Ltd. All rights reserved.

Determination of calcium, copper, iron, magnesium, manganese, potassium, phosphorus, sodium, and zinc in fortified food products by microwave digestion and inductively coupled plasma-optical emission spectrometry: single-laboratory validation and ring trial.

PubMed

Poitevin, Eric

2012-01-01

A single-laboratory validation (SLV) and a ring trial (RT) were undertaken to determine nine nutritional elements in food products by inductively coupled plasma-optical emission spectrometry in order to modernize AOAC Official Method 984.27. The improvements involved extension of the scope to all food matrixes (including infant formula), optimized microwave digestion, selected analytical lines, internal standardization, and ion buffering. Simultaneous determination of nine elements (calcium, copper, iron, potassium, magnesium, manganese, sodium, phosphorus, and zinc) was made in food products. Sample digestion was performed through wet digestion of food samples by microwave technology with either closed- or open-vessel systems. Validation was performed to characterize the method for selectivity, sensitivity, linearity, accuracy, precision, recovery, ruggedness, and uncertainty. The robustness and efficiency of this method was proven through a successful RT using experienced independent food industry laboratories. Performance characteristics are reported for 13 certified and in-house reference materials, populating the AOAC triangle food sectors, which fulfilled AOAC criteria and recommendations for accuracy (trueness, recovery, and z-scores) and precision (repeatability and reproducibility RSD, and HorRat values) regarding SLVs and RTs. This multielemental method is cost-efficient, time-saving, accurate, and fit-for-purpose according to ISO 17025 Norm and AOAC acceptability criteria, and is proposed as an extended updated version of AOAC Official Method 984.27 for fortified food products, including infant formula.

The precarious couple effect: verbally inhibited men + critical, disinhibited women = bad chemistry.

PubMed

Swann, William B; Rentfrow, Peter J; Gosling, Samuel D

2003-12-01

When critical, verbally disinhibited women are paired with verbally inhibited men, relationship quality suffers, rendering the relationship precarious. This effect theoretically emerges when (a). verbally disinhibited women pair with relatively inhibited men (man-more-inhibited couples) and (b). the disinhibition of women in man-more-inhibited couples amplifies women's criticalness and alienates men. Three studies (Ns=437, 300, and 564) provided evidence that relationship quality suffered in man-more-inhibited couples; a 4th study (N=168) showed that the criticalness of women in man-more-inhibited couples did indeed undermine relationship quality. Implications for understanding the impact of gender expectations on relationships and for integrating behavioral and personological approaches to close relationships are discussed.

Microsystem enabled photovoltaic modules and systems

DOEpatents

Nielson, Gregory N.; Sweatt, William C.; Okandan, Murat

2017-09-12

A photovoltaic (PV) module includes an absorber layer coupled to an optic layer. The absorber layer includes an array of PV elements. The optic layer includes a close-packed array of Keplerian telescope elements, each corresponding to one of an array of pupil elements. The Keplerian telescope substantially couple radiation that is incident on their objective surfaces into the corresponding pupil elements. Each pupil element relays radiation that is coupled into it from the corresponding Keplerian telescope element into the corresponding PV element.

Infrared fixed point of SU(2) gauge theory with six flavors

NASA Astrophysics Data System (ADS)

Leino, Viljami; Rummukainen, Kari; Suorsa, Joni; Tuominen, Kimmo; Tähtinen, Sara

2018-06-01

We compute the running of the coupling in SU(2) gauge theory with six fermions in the fundamental representation of the gauge group. We find strong evidence that this theory has an infrared stable fixed point at strong coupling and measure also the anomalous dimension of the fermion mass operator at the fixed point. This theory therefore likely lies close to the boundary of the conformal window and will display novel infrared dynamics if coupled with the electroweak sector of the Standard Model.

Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method

NASA Astrophysics Data System (ADS)

Neese, Frank; Wennmohs, Frank; Hansen, Andreas

2009-03-01

Coupled-electron pair approximations (CEPAs) and coupled-pair functionals (CPFs) have been popular in the 1970s and 1980s and have yielded excellent results for small molecules. Recently, interest in CEPA and CPF methods has been renewed. It has been shown that these methods lead to competitive thermochemical, kinetic, and structural predictions. They greatly surpass second order Møller-Plesset and popular density functional theory based approaches in accuracy and are intermediate in quality between CCSD and CCSD(T) in extended benchmark studies. In this work an efficient production level implementation of the closed shell CEPA and CPF methods is reported that can be applied to medium sized molecules in the range of 50-100 atoms and up to about 2000 basis functions. The internal space is spanned by localized internal orbitals. The external space is greatly compressed through the method of pair natural orbitals (PNOs) that was also introduced by the pioneers of the CEPA approaches. Our implementation also makes extended use of density fitting (or resolution of the identity) techniques in order to speed up the laborious integral transformations. The method is called local pair natural orbital CEPA (LPNO-CEPA) (LPNO-CPF). The implementation is centered around the concepts of electron pairs and matrix operations. Altogether three cutoff parameters are introduced that control the size of the significant pair list, the average number of PNOs per electron pair, and the number of contributing basis functions per PNO. With the conservatively chosen default values of these thresholds, the method recovers about 99.8% of the canonical correlation energy. This translates to absolute deviations from the canonical result of only a few kcal mol-1. Extended numerical test calculations demonstrate that LPNO-CEPA (LPNO-CPF) has essentially the same accuracy as parent CEPA (CPF) methods for thermochemistry, kinetics, weak interactions, and potential energy surfaces but is up to 500 times faster. The method performs best in conjunction with large and flexible basis sets. These results open the way for large-scale chemical applications.

Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method.

PubMed

Neese, Frank; Wennmohs, Frank; Hansen, Andreas

2009-03-21

Coupled-electron pair approximations (CEPAs) and coupled-pair functionals (CPFs) have been popular in the 1970s and 1980s and have yielded excellent results for small molecules. Recently, interest in CEPA and CPF methods has been renewed. It has been shown that these methods lead to competitive thermochemical, kinetic, and structural predictions. They greatly surpass second order Moller-Plesset and popular density functional theory based approaches in accuracy and are intermediate in quality between CCSD and CCSD(T) in extended benchmark studies. In this work an efficient production level implementation of the closed shell CEPA and CPF methods is reported that can be applied to medium sized molecules in the range of 50-100 atoms and up to about 2000 basis functions. The internal space is spanned by localized internal orbitals. The external space is greatly compressed through the method of pair natural orbitals (PNOs) that was also introduced by the pioneers of the CEPA approaches. Our implementation also makes extended use of density fitting (or resolution of the identity) techniques in order to speed up the laborious integral transformations. The method is called local pair natural orbital CEPA (LPNO-CEPA) (LPNO-CPF). The implementation is centered around the concepts of electron pairs and matrix operations. Altogether three cutoff parameters are introduced that control the size of the significant pair list, the average number of PNOs per electron pair, and the number of contributing basis functions per PNO. With the conservatively chosen default values of these thresholds, the method recovers about 99.8% of the canonical correlation energy. This translates to absolute deviations from the canonical result of only a few kcal mol(-1). Extended numerical test calculations demonstrate that LPNO-CEPA (LPNO-CPF) has essentially the same accuracy as parent CEPA (CPF) methods for thermochemistry, kinetics, weak interactions, and potential energy surfaces but is up to 500 times faster. The method performs best in conjunction with large and flexible basis sets. These results open the way for large-scale chemical applications.

Summary of low-speed longitudinal aerodynamics of two powered close-coupled wing-canard fighter configurations. [conducted in Langley C/STOL tunnel

NASA Technical Reports Server (NTRS)

Paulson, J. W., Jr.; Thomas, J. L.

1979-01-01

Investigations of the low speed longitudinal characteristics of two powered close coupled wing-canard fighter configurations are discussed. Data obtained at angles of attack from -2 deg to 42 deg, Mach numbers from 0.12 to 0.20, nozzle and flap deflections from 0 deg to 40 deg, and thrust coefficients from 0 to 2.0, to represent both high angle of attack subsonic maneuvering characteristics and conventional takeoff and landing characteristics are examined. Data obtained with the nozzles deflected either 60 deg or 90 deg and the flaps deflected 60 deg to represent vertical or short takeoff and landing characteristics are discussed.

Hot gas filter and system assembly

DOEpatents

Lippert, Thomas Edwin; Palmer, Kathryn Miles; Bruck, Gerald Joseph; Alvin, Mary Anne; Smeltzer, Eugene E.; Bachovchin, Dennis Michael

1999-01-01

A filter element for separating fine dirty particles from a hot gas. The filter element comprises a first porous wall and a second porous wall. Each porous wall has an outer surface and an inner surface. The first and second porous walls being coupled together thereby forming a substantially closed figure and open at one end. The open end is formed to be coupled to a hot gas clean up system support structure. The first and second porous walls define a channel beginning at the open end and terminate at the closed end through which a filtered clean gas can flow through and out into the clean gas side of a hot gas clean up system.

Hot gas filter and system assembly

DOEpatents

Lippert, T.E.; Palmer, K.M.; Bruck, G.J.; Alvin, M.A.; Smeltzer, E.E.; Bachovchin, D.M.

1999-08-31

A filter element is described for separating fine dirty particles from a hot gas. The filter element comprises a first porous wall and a second porous wall. Each porous wall has an outer surface and an inner surface. The first and second porous walls being coupled together thereby forming a substantially closed figure and open at one end. The open end is formed to be coupled to a hot gas clean up system support structure. The first and second porous walls define a channel beginning at the open end and terminate at the closed end through which a filtered clean gas can flow through and out into the clean gas side of a hot gas clean up system. 8 figs.

Convergent close coupling versus the generalized Sturmian function approach: Wave-function analysis

NASA Astrophysics Data System (ADS)

Ambrosio, M.; Mitnik, D. M.; Gasaneo, G.; Randazzo, J. M.; Kadyrov, A. S.; Fursa, D. V.; Bray, I.

2015-11-01

We compare the physical information contained in the Temkin-Poet (TP) scattering wave function representing electron-impact ionization of hydrogen, calculated by the convergent close-coupling (CCC) and generalized Sturmian function (GSF) methodologies. The idea is to show that the ionization cross section can be extracted from the wave functions themselves. Using two different procedures based on hyperspherical Sturmian functions we show that the transition amplitudes contained in both GSF and CCC scattering functions lead to similar single-differential cross sections. The single-continuum channels were also a subject of the present studies, and we show that the elastic and excitation amplitudes are essentially the same as well.

Closed-form solutions for a class of optimal quadratic regulator problems with terminal constraints

NASA Technical Reports Server (NTRS)

Juang, J.-N.; Turner, J. D.; Chun, H. M.

1984-01-01

Closed-form solutions are derived for coupled Riccati-like matrix differential equations describing the solution of a class of optimal finite time quadratic regulator problems with terminal constraints. Analytical solutions are obtained for the feedback gains and the closed-loop response trajectory. A computational procedure is presented which introduces new variables for efficient computation of the terminal control law. Two examples are given to illustrate the validity and usefulness of the theory.

A field survey of metal binding to metallothionein and other cytosolic ligands in liver of eels using an on-line isotope dilution method in combination with size exclusion (SE) high pressure liquid chromatography (HPLC) coupled to Inductively Coupled Plasma time-of-flight Mass Spectrometry (ICP-TOFMS).

PubMed

Van Campenhout, Karen; Goenaga Infante, Heidi; Goemans, Geert; Belpaire, Claude; Adams, Freddy; Blust, Ronny; Bervoets, Lieven

2008-05-15

The effect of metal exposure on the accumulation and cytosolic speciation of metals in livers of wild populations of European eel with special emphasis on metallothioneins (MT) was studied. Four sampling sites in Flanders showing different degrees of heavy metal contamination were selected for this purpose. An on-line isotope dilution method in combination with size exclusion (SE) high pressure liquid chromatography (HPLC) coupled to Inductively Coupled Plasma time-of-flight Mass Spectrometry (ICP-TOFMS) was used to study the cytosolic speciation of the metals. The distribution of the metals Cd, Cu, Ni, Pb and Zn among cytosolic fractions displayed strong differences. The cytosolic concentration of Cd, Ni and Pb increased proportionally with the total liver levels. However, the cytosolic concentrations of Cu and Zn only increased above a certain liver tissue threshold level. Cd, Cu and Zn, but not Pb and Ni, were largely associated with the MT pool in correspondence with the environmental exposure and liver tissue concentrations. Most of the Pb and Ni and a considerable fraction of Cu and Zn, but not Cd, were associated to High Molecular Weight (HMW) fractions. The relative importance of the Cu and Zn in the HMW fraction decreased with increasing contamination levels while the MT pool became progressively more important. The close relationship between the cytosolic metal load and the total MT levels or the metals bound on the MT pool indicates that the metals, rather than other stress factors, are the major factor determining MT induction.

Rg-Lg coupling as a Lg-wave excitation mechanism

NASA Astrophysics Data System (ADS)

Ge, Z.; Xie, X.

2003-12-01

Regional phase Lg is predominantly comprised of shear wave energy trapped in the crust. Explosion sources are expected to be less efficient for excitation of Lg phases than earthquakes to the extent that the source can be approximated as isotropic. Shallow explosions generate relatively large surface wave Rg compared to deeper earthquakes, and Rg is readily disrupted by crustal heterogeneity. Rg energy may thus scatter into trapped crustal S-waves near the source region and contribute to low-frequency Lg wave. In this study, a finite-difference modeling plus the slowness analysis are used for investigating the above mentioned Lg-wave excitation mechanism. The method allows us to investigate near source energy partitioning in multiple domains including frequency, slowness and time. The main advantage of this method is that it can be applied at close range, before Lg is actually formed, which allows us to use very fine near source velocity model to simulate the energy partitioning process. We use a layered velocity structure as the background model and add small near source random velocity patches to the model to generate the Rg to Lg coupling. Two types of simulations are conducted, (1) a fixed shallow explosion source vs. randomness at different depths and (2) a fixed shallow randomness vs. explosion sources at different depths. The results show apparent couplings between the Rg and Lg waves at lower frequencies (0.3-1.5 Hz). A shallow source combined with shallow randomness generates the maximum Lg-wave, which is consistent with the Rg energy distribution of a shallow explosion source. The Rg energy and excited Lg energy show a near linear relationship. The numerical simulation and slowness analysis suggest that the Rg to Lg coupling is an effective excitation mechanism for low frequency Lg-waves from a shallow explosion source.

Determination of thimerosal in pharmaceutical industry effluents and river waters by HPLC coupled to atomic fluorescence spectrometry through post-column UV-assisted vapor generation.

PubMed

Acosta, Gimena; Spisso, Adrián; Fernández, Liliana P; Martinez, Luis D; Pacheco, Pablo H; Gil, Raúl A

2015-03-15

A high performance liquid chromatography coupled with atomic fluorescence spectrometry method for the determination of thimerosal (sodium ethylmercury thiosalicylate, C9H9HgNaO2S), ethylmercury, and inorganic mercury is proposed. Mercury vapor is generated by the post-column reduction of mercury species in formic acid media using UV-radiation. Thimerosal is quantitatively converted to Hg(II) followed by the reduction of Hg(II) to Hg(0). This method is applied to the determination of thimerosal (THM), ethylmercury (EtHg) and inorganic Hg in samples of a pharmaceutical industry effluent, and in waters of the San Luis River situated in the west side of San Luis city (Middle West, Argentine) where the effluents are dumped. The limit of detections, calculated on the basis of the 3σ criterion, where 0.09, 0.09 and 0.07 μg L(-1) for THM, EtHg(II) and for Hg(II), respectively. Linearity was attained from levels close to the detection limit up to at least 100 μg L(-1). Copyright © 2014 Elsevier B.V. All rights reserved.

Determination of metalaxyl and identification of adjuvants in wettable powder pesticide technical formulas.

PubMed

Pose-Juan, Eva; Rial-Otero, Raquel; Martínez-Carballo, Elena; López-Periago, Eugenio; Simal-Gándara, Jesús

2009-07-01

Foliar runoff is one of the most important processes affecting off-target movement of fungicides. In this way, Ridomil Gold Plus and Ridomil Gold MZ are two types of wettable powder technical formulations which contain metalaxyl and they are used for such a purpose. A method for quantitative determination of metalaxyl in pesticide formulas has been developed, validated, and subsequently applied to Ridomil Gold Plus and Ridomil Gold MZ. The method employs liquid-liquid extraction followed by liquid chromatography coupled with UV detection (LC-UV), using gas chromatography coupled with mass spectrometry as confirmation technique and to carry out a screening of organic adjuvants of these two selected pesticide formulas. Metalaxyl of 26.5 and 41 g/kg was detected in Ridomil Gold Plus and Ridomil Gold MZ, close to the manufacture specified level of 25 and 40 g/kg, respectively. Activator and utility adjuvants were detected in these two wettable powder technical formulations. Only methyl-ester-based surfactants were found within the group of nonionic surfactants, but the long-term fates of most adjuvants in soils and elsewhere in the environment are largely unknown, partially because of the lack of long-term monitoring data.

Electronic and magnetic properties of double perovskite Sr2CoUO6: Heisenberg model

NASA Astrophysics Data System (ADS)

Nid-bahami, A.; Ahmed, S. Sidi; Ait-Tamerd, M.; Zaari, H.; El Kenz, A.; Benyoussef, A.

2018-01-01

This work will be focused on the electronic and magnetic properties of Sr2CoUO6 (SCUO) using ab-initio calculations and Monte Carlo Simulation (MCS). Firstly, we calculate the exchange coupling and the crystal field, then, the electronic and magnetic properties will be studied, using the full-potential linearized augmented plane wave (FP-LAPW) method, as implemented in the Wien2k code. This method employing the generalized gradient approximation (GGA) for exchange-correlation term. The half-metallic ferromagnetic nature implies a potential application of this new compound in spintronics devices. Also, we have presented the results of the band structures and densities of states for the two up and down spin polarizations. The exchange coupling and the crystal field calculated are J = 0 . 567 meV and δ = 0 . 559meV, and total spin magnetic moments is 2.96 μB closed to experimental values 3 μB. Secondly, we have presented the results for the magnetization and the susceptibility as a function of temperature. Finally, we obtain the critical temperature T = 9 . 20 K by MCS in good agreement with the experimental value.

Full-dimensional quantum dynamics of rovibrationally inelastic scattering between CN and H2

NASA Astrophysics Data System (ADS)

Yang, Benhui; Wang, X. H.; Stancil, P. C.; Bowman, J. M.; Balakrishnan, N.; Forrey, R. C.

2016-12-01

We report six-dimensional (6D) potential energy surface (PES) and rovibrational scattering calculations for the CN-H2 collision system. The PES was computed using the high-level ab initio spin-restricted coupled-cluster with single, double, and perturbative triple excitations-F12B method and fitted to an analytic function using an invariant polynomial method in 6D. Quantum close-coupling calculations are reported for rotational transitions in CN by H2 and D2 collisions in 6D as well as four-dimensional (4D) within a rigid rotor model for collision energies of 1.0-1500 cm-1. Comparisons with experimental data and previous 4D calculations are presented for CN rotational levels j1 = 4 and 11. For the first time, rovibrational quenching cross sections and rate coefficients of CN (v1 = 1,j1 = 0) in collisions with para- and ortho-H2 are also reported in full-dimension. Agreement for pure rotational transitions is found to be good, but no experimental data on rovibrational collisional quenching for CN-H2 are available. Applications of the current rotational and rovibrational rate coefficients in astrophysical modeling are briefly discussed.

Prediction of break-out sound from a rectangular cavity via an elastically mounted panel.

PubMed

Wang, Gang; Li, Wen L; Du, Jingtao; Li, Wanyou

2016-02-01

The break-out sound from a cavity via an elastically mounted panel is predicted in this paper. The vibroacoustic system model is derived based on the so-called spectro-geometric method in which the solution over each sub-domain is invariably expressed as a modified Fourier series expansion. Unlike the traditional modal superposition methods, the continuity of the normal velocities is faithfully enforced on the interfaces between the flexible panel and the (interior and exterior) acoustic media. A fully coupled vibro-acoustic system is obtained by taking into account the strong coupling between the vibration of the elastic panel and the sound fields on the both sides. The typical time-consuming calculations of quadruple integrals encountered in determining the sound power radiation from a panel has been effectively avoided by reducing them, via discrete cosine transform, into a number of single integrals which are subsequently calculated analytically in a closed form. Several numerical examples are presented to validate the system model, understand the effects on the sound transmissions of panel mounting conditions, and demonstrate the dependence on the size of source room of the "measured" transmission loss.

Rigid-flexible coupling dynamic modeling and investigation of a redundantly actuated parallel manipulator with multiple actuation modes

NASA Astrophysics Data System (ADS)

Liang, Dong; Song, Yimin; Sun, Tao; Jin, Xueying

2017-09-01

A systematic dynamic modeling methodology is presented to develop the rigid-flexible coupling dynamic model (RFDM) of an emerging flexible parallel manipulator with multiple actuation modes. By virtue of assumed mode method, the general dynamic model of an arbitrary flexible body with any number of lumped parameters is derived in an explicit closed form, which possesses the modular characteristic. Then the completely dynamic model of system is formulated based on the flexible multi-body dynamics (FMD) theory and the augmented Lagrangian multipliers method. An approach of combining the Udwadia-Kalaba formulation with the hybrid TR-BDF2 numerical algorithm is proposed to address the nonlinear RFDM. Two simulation cases are performed to investigate the dynamic performance of the manipulator with different actuation modes. The results indicate that the redundant actuation modes can effectively attenuate vibration and guarantee higher dynamic performance compared to the traditional non-redundant actuation modes. Finally, a virtual prototype model is developed to demonstrate the validity of the presented RFDM. The systematic methodology proposed in this study can be conveniently extended for the dynamic modeling and controller design of other planar flexible parallel manipulators, especially the emerging ones with multiple actuation modes.

Detecting GNSS spoofing attacks using INS coupling

NASA Astrophysics Data System (ADS)

Tanil, Cagatay

Vulnerability of Global Navigation Satellite Systems (GNSS) users to signal spoofing is a critical threat to positioning integrity, especially in aviation applications, where the consequences are potentially catastrophic. In response, this research describes and evaluates a new approach to directly detect spoofing using integrated Inertial Navigation Systems (INS) and fault detection concepts based on integrity monitoring. The monitors developed here can be implemented into positioning systems using INS/GNSS integration via 1) tightly-coupled, 2) loosely-coupled, and 3) uncoupled schemes. New evaluation methods enable the statistical computation of integrity risk resulting from a worst-case spoofing attack - without needing to simulate an unmanageably large number of individual aircraft approaches. Integrity risk is an absolute measure of safety and a well-established metric in aircraft navigation. A novel closed-form solution to the worst-case time sequence of GNSS signals is derived to maximize the integrity risk for each monitor and used in the covariance analyses. This methodology tests the performance of the monitors against the most sophisticated spoofers, capable of tracking the aircraft position - for example, by means of remote tracking or onboard sensing. Another contribution is a comprehensive closed-loop model that encapsulates the vehicle and compensator (estimator and controller) dynamics. A sensitivity analysis uses this model to quantify the leveraging impact of the vehicle's dynamic responses (e.g., to wind gusts, or to autopilot's acceleration commands) on the monitor's detection capability. The performance of the monitors is evaluated for two safety-critical terminal area navigation applications: 1) autonomous shipboard landing and 2) Boeing 747 (B747) landing assisted with Ground Based Augmentation Systems (GBAS). It is demonstrated that for both systems, the monitors are capable of meeting the most stringent precision approach and landing integrity requirements of the International Civil Aviation Organization (ICAO). The statistical evaluation methods developed here can be used as a baseline procedure in the Federal Aviation Administration's (FAA) certification of spoof-free navigation systems. The final contribution is an investigation of INS sensor quality on detection performance. This determines the minimum sensor requirements to perform standalone GNSS positioning in general en route applications with guaranteed spoofing detection integrity.

Soliton-impurity interaction in two Ablowitz-Ladik chains with different coupling

NASA Astrophysics Data System (ADS)

Kamburova, R. S.; Primatarowa, M. T.

2014-12-01

The interaction of solitons with point defects in a system of coupled Ablowitz- Ladik (AL) chains is studied numerically. The system is a discrete analog of coupled nonlinear Schrodinger equations. Two types of interchain coupling are investigated: one which admits reduction of the system to the standard integrable AL model (dispersive coupling) and one which couples opposite sites of the chains and does not admit reduction to the AL model (nondispersive coupling). The action of the two coupling types is additive and they can compensate each other in some cases. We have obtained that the single-peak bound soliton-defect solution (attractive impurity) is stable against perturbations, while the double-peak bound soliton-defect solution (repulsive impurity) is unstable and can be easily destroyed. Linear point defects do not influence the period of energy transfer and it is close to the period for the homogeneous case.

A combined analytical and numerical analysis of the flow-acoustic coupling in a cavity-pipe system

NASA Astrophysics Data System (ADS)

Langthjem, Mikael A.; Nakano, Masami

2018-05-01

The generation of sound by flow through a closed, cylindrical cavity (expansion chamber) accommodated with a long tailpipe is investigated analytically and numerically. The sound generation is due to self-sustained flow oscillations in the cavity. These oscillations may, in turn, generate standing (resonant) acoustic waves in the tailpipe. The main interest of the paper is in the interaction between these two sound sources. An analytical, approximate solution of the acoustic part of the problem is obtained via the method of matched asymptotic expansions. The sound-generating flow is represented by a discrete vortex method, based on axisymmetric vortex rings. It is demonstrated through numerical examples that inclusion of acoustic feedback from the tailpipe is essential for a good representation of the sound characteristics.

Steady-State Electrodiffusion from the Nernst-Planck Equation Coupled to Local Equilibrium Monte Carlo Simulations.

PubMed

Boda, Dezső; Gillespie, Dirk

2012-03-13

We propose a procedure to compute the steady-state transport of charged particles based on the Nernst-Planck (NP) equation of electrodiffusion. To close the NP equation and to establish a relation between the concentration and electrochemical potential profiles, we introduce the Local Equilibrium Monte Carlo (LEMC) method. In this method, Grand Canonical Monte Carlo simulations are performed using the electrochemical potential specified for the distinct volume elements. An iteration procedure that self-consistently solves the NP and flux continuity equations with LEMC is shown to converge quickly. This NP+LEMC technique can be used in systems with diffusion of charged or uncharged particles in complex three-dimensional geometries, including systems with low concentrations and small applied voltages that are difficult for other particle simulation techniques.

Sensitivity of Simulated Warm Rain Formation to Collision and Coalescence Efficiencies, Breakup, and Turbulence: Comparison of Two Bin-Resolved Numerical Models

NASA Technical Reports Server (NTRS)

Fridlind, Ann; Seifert, Axel; Ackerman, Andrew; Jensen, Eric

2004-01-01

Numerical models that resolve cloud particles into discrete mass size distributions on an Eulerian grid provide a uniquely powerful means of studying the closely coupled interaction of aerosols, cloud microphysics, and transport that determine cloud properties and evolution. However, such models require many experimentally derived paramaterizations in order to properly represent the complex interactions of droplets within turbulent flow. Many of these parameterizations remain poorly quantified, and the numerical methods of solving the equations for temporal evolution of the mass size distribution can also vary considerably in terms of efficiency and accuracy. In this work, we compare results from two size-resolved microphysics models that employ various widely-used parameterizations and numerical solution methods for several aspects of stochastic collection.

Study of magnetization switching in coupled magnetic nanostructured systems

NASA Astrophysics Data System (ADS)

Radu, Cosmin

A study of magnetization dynamics experiments in nanostructured materials using the rf susceptibility tunnel diode oscillator (TDO) method is presented along with a extensive theoretical analysis. An original, computer controlled experimental setup that measures the change in susceptibility with the variation in external magnetic field and sample temperature was constructed. The TDO-based experiment design and construction is explained in detail, showing all the elements of originality. This experimental technique has proven reliable for characterizing samples with uncoupled magnetic structure and various magnetic anisotropies like: CrO2, FeCo/IrMn and Co/SiO2 thin films. The TDO was subsequently used to explore the magnetization switching in coupled magnetic systems, like synthetic antiferromagnet (SAF) structures. Magnetoresistive random access memory (MRAM) is an important example of devices where the use of SAF structure is essential. To support the understanding of the SAF magnetic behavior, its configuration and application are reviewed and more details are provided in an appendix. Current problems in increasing the scalability and decreasing the error rate of MRAM devices are closely connected to the switching properties of the SAF structures. Several theoretical studies that were devoted to the understanding of the concepts of SAF critical curve are reviewed. As one can notice, there was no experimental determination of SAF critical curve, due to the difficulties in characterizing a magnetic coupled structure. Depending of the coupling strength between the two ferromagnetic layers, on the SAF critical curve one distinguishes several new features, inexistent in the case of uncoupled systems. Knowing the configuration of the SAF critical curve is of great importance in order to control its switching characteristics. For the first time a method of experimentally recording the critical curve for SAF is proposed in this work. In order to overcome technological limitations, a new way of recording the critical curve by using an additional magnetic bias field was explored. Keywords: magnetization dynamics, magnetic susceptibility, tunnel diode oscillator, critical curve, synthetic antiferromagnet, coupled magnetic structures, MRAM.

Development of a dedicated ethanol ultra-low emission vehicle (ULEV): Final report

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

Dodge, L.; Bourn, G.; Callahan, T.

The objective of this project was to develop a commercially competitive vehicle powered by ethanol (or an ethanol blend) that can meet California`s ultra-low emission vehicle (ULEV) standards and equivalent corporate average fuel economy (CAFE) energy efficiency for a light-duty passenger car application. The definition of commercially competitive is independent of fuel cost, but does include technical requirements for competitive power, performance, refueling times, vehicle range, driveability, fuel handling safety, and overall emissions performance. This report summarizes the fourth and final phase of this project, and also the overall project. The focus of this report is the technology used tomore » develop a dedicated ethanol-fueled ULEV, and the emissions results documenting ULV performance. Some of the details for the control system and hardware changes are presented in two appendices that are SAE papers. The demonstrator vehicle has a number of advanced technological features, but it is currently configured with standard original equipment manufacturer (OEM) under-engine catalysts. Close-coupled catalysts would improve emissions results further, but no close-coupled catalysts were available for this testing. Recently, close-coupled catalysts were obtained, but installation and testing will be performed in the future. This report also briefly summarizes work in several other related areas that supported the demonstrator vehicle work.« less

The cooperative voltage sensor motion that gates a potassium channel.

PubMed

Pathak, Medha; Kurtz, Lisa; Tombola, Francesco; Isacoff, Ehud

2005-01-01

The four arginine-rich S4 helices of a voltage-gated channel move outward through the membrane in response to depolarization, opening and closing gates to generate a transient ionic current. Coupling of voltage sensing to gating was originally thought to operate with the S4s moving independently from an inward/resting to an outward/activated conformation, so that when all four S4s are activated, the gates are driven to open or closed. However, S4 has also been found to influence the cooperative opening step (Smith-Maxwell et al., 1998a), suggesting a more complex mechanism of coupling. Using fluorescence to monitor structural rearrangements in a Shaker channel mutant, the ILT channel (Ledwell and Aldrich, 1999), that energetically isolates the steps of activation from the cooperative opening step, we find that opening is accompanied by a previously unknown and cooperative movement of S4. This gating motion of S4 appears to be coupled to the internal S6 gate and to two forms of slow inactivation. Our results suggest that S4 plays a direct role in gating. While large transmembrane rearrangements of S4 may be required to unlock the gating machinery, as proposed before, it appears to be the gating motion of S4 that drives the gates to open and close.

The Cooperative Voltage Sensor Motion that Gates a Potassium Channel

PubMed Central

Pathak, Medha; Kurtz, Lisa; Tombola, Francesco; Isacoff, Ehud

2005-01-01

The four arginine-rich S4 helices of a voltage-gated channel move outward through the membrane in response to depolarization, opening and closing gates to generate a transient ionic current. Coupling of voltage sensing to gating was originally thought to operate with the S4s moving independently from an inward/resting to an outward/activated conformation, so that when all four S4s are activated, the gates are driven to open or closed. However, S4 has also been found to influence the cooperative opening step (Smith-Maxwell et al., 1998a), suggesting a more complex mechanism of coupling. Using fluorescence to monitor structural rearrangements in a Shaker channel mutant, the ILT channel (Ledwell and Aldrich, 1999), that energetically isolates the steps of activation from the cooperative opening step, we find that opening is accompanied by a previously unknown and cooperative movement of S4. This gating motion of S4 appears to be coupled to the internal S6 gate and to two forms of slow inactivation. Our results suggest that S4 plays a direct role in gating. While large transmembrane rearrangements of S4 may be required to unlock the gating machinery, as proposed before, it appears to be the gating motion of S4 that drives the gates to open and close. PMID:15623895

Catalytic coupling of sp2- and sp-hybridized carbon-hydrogen bonds with vinylmetalloid compounds.

PubMed

Marciniec, Bogdan

2007-10-01

In the Account given herein, it has been shown that silylative coupling of olefins, well-recognized as a new catalytic route for the activation of double bond C-H bond of olefins and double bond C-Si bond of vinylsilicon compounds with ethylene elimination, can be extended over both other vinylmetalloid derivatives (double bond C-E) (where E = Ge, B, and others) as well as the activation of triple bond C-H, double bond C aryl-H, and -O-H bond of alcohols and silanols. This general transformation is catalyzed by transition-metal complexes (mainly Ru and Rh) containing or initiating TM-H and/or TM-E bonds (inorganometallics). This new general catalytic route for the activation of double bond C-H and triple bond C-H as well as double bond C-E bonds called metallative coupling or trans-metalation (cross-coupling, ring-closing, and polycondensation) constitutes an efficient method (complementary to metathesis) for stereo- and regioselective synthesis of a variety of molecular and macromolecular compounds of vinyl-E (E = Si, B, and Ge) and ethynyl-E (E = Si and Ge) functionality, also potent organometallic reagents for efficient synthesis of highly pi-conjugated organic compounds. The mechanisms of the catalysis of this deethenative metalation have been supported by equimolar reactions of TM-H and/or TM-E with initial substances and reactions with deuterium-labeled reagents.

A hydrodynamic model for granular material flows including segregation effects

NASA Astrophysics Data System (ADS)

Gilberg, Dominik; Klar, Axel; Steiner, Konrad

2017-06-01

The simulation of granular flows including segregation effects in large industrial processes using particle methods is accurate, but very time-consuming. To overcome the long computation times a macroscopic model is a natural choice. Therefore, we couple a mixture theory based segregation model to a hydrodynamic model of Navier-Stokes-type, describing the flow behavior of the granular material. The granular flow model is a hybrid model derived from kinetic theory and a soil mechanical approach to cover the regime of fast dilute flow, as well as slow dense flow, where the density of the granular material is close to the maximum packing density. Originally, the segregation model has been formulated by Thornton and Gray for idealized avalanches. It is modified and adapted to be in the preferred form for the coupling. In the final coupled model the segregation process depends on the local state of the granular system. On the other hand, the granular system changes as differently mixed regions of the granular material differ i.e. in the packing density. For the modeling process the focus lies on dry granular material flows of two particle types differing only in size but can be easily extended to arbitrary granular mixtures of different particle size and density. To solve the coupled system a finite volume approach is used. To test the model the rotational mixing of small and large particles in a tumbler is simulated.

On the coupling of resonance and Bragg scattering effects in three-dimensional locally resonant sonic materials.

PubMed

Yuan, Bo; Humphrey, Victor F; Wen, Jihong; Wen, Xisen

2013-09-01

Three-dimensional (3D) locally resonant sonic materials (LRSMs) are studied theoretically for purpose of optimising their sub-wavelength performance by coupling resonance and Bragg scattering effects together. Through the study of effective sound speeds of LRSMs, we find that the starting frequency of Bragg scattering can be shifted to sub-wavelength region by softening coats of resonators when the matrix is a low shear-velocity medium. A similar result can be achieved by compressing the lattice constant. By using a layer-multiple-scattering method, we investigate the complex band structure and the transmission spectrum of an LRSM whose Bragg gap is already close to the resonance gap in frequency. The wave fields of the composite simulated by COMSOL are further analysed at several typical frequencies. The result shows that the approaching of two kinds of gaps not only broadens the bandwidth of the resonance gap, but also increases the depth of the Bragg gap since the interaction between resonant modes and scattering waves are enhanced. By varying the shear velocity of coats, we obtain a coupled gap, which exhibits a broad transmission gap in the sub-wavelength region. When the loss of coats is considered, the coupled gap can not only maintain a good sound blocking performance, but also perform an efficient absorption in the low frequency region. Copyright © 2013 Elsevier B.V. All rights reserved.

Hydroelastic behaviour of a structure exposed to an underwater explosion

PubMed Central

Colicchio, G.; Greco, M.; Brocchini, M.; Faltinsen, O. M.

2015-01-01

The hydroelastic interaction between an underwater explosion and an elastic plate is investigated num- erically through a domain-decomposition strategy. The three-dimensional features of the problem require a large computational effort, which is reduced through a weak coupling between a one-dimensional radial blast solver, which resolves the blast evolution far from the boundaries, and a three-dimensional compressible flow solver used where the interactions between the compression wave and the boundaries take place and the flow becomes three-dimensional. The three-dimensional flow solver at the boundaries is directly coupled with a modal structural solver that models the response of the solid boundaries like elastic plates. This enables one to simulate the fluid–structure interaction as a strong coupling, in order to capture hydroelastic effects. The method has been applied to the experimental case of Hung et al. (2005 Int. J. Impact Eng. 31, 151–168 (doi:10.1016/j.ijimpeng.2003.10.039)) with explosion and structure sufficiently far from other boundaries and successfully validated in terms of the evolution of the acceleration induced on the plate. It was also used to investigate the interaction of an underwater explosion with the bottom of a close-by ship modelled as an orthotropic plate. In the application, the acoustic phase of the fluid–structure interaction is examined, highlighting the need of the fluid–structure coupling to capture correctly the possible inception of cavitation. PMID:25512585

Energetics of subdomain movements and fluorescence probe solvation environment change in ATP-bound myosin.

PubMed

Harris, Michael J; Woo, Hyung-June

2008-11-01

Energetics of conformational changes experienced by an ATP-bound myosin head detached from actin was studied by all-atom explicit water umbrella sampling simulations. The statistics of coupling between large scale domain movements and smaller scale structural features were examined, including the closing of the ATP binding pocket, and a number of key hydrogen bond formations shown to play roles in structural and biochemical studies. The statistics for the ATP binding pocket open/close transition show an evolution of the relative stability from the open state in the early stages of the recovery stroke to the stable closed state after the stroke. The change in solvation environment of the fluorescence probe Trp507 (scallop numbering; 501 in Dictyostelium discoideum) indicates that the probe faithfully reflects the closing of the binding pocket as previously shown in experimental studies, while being directly coupled to roughly the early half of the overall large scale conformational change of the converter domain rotation. The free energy change of this solvation environment change, in particular, is -1.3 kcal/mol, in close agreement with experimental estimates. In addition, our results provide direct molecular level data allowing for interpretations of the fluorescence experiments of myosin conformational change in terms of the de-solvation of Trp side chain.

Hydrophobic cluster analysis of G protein-coupled receptors: a powerful tool to derive structural and functional information from 2D-representation of protein sequences.

PubMed

Lentes, K U; Mathieu, E; Bischoff, R; Rasmussen, U B; Pavirani, A

1993-01-01

Current methods for comparative analyses of protein sequences are 1D-alignments of amino acid sequences based on the maximization of amino acid identity (homology) and the prediction of secondary structure elements. This method has a major drawback once the amino acid identity drops below 20-25%, since maximization of a homology score does not take into account any structural information. A new technique called Hydrophobic Cluster Analysis (HCA) has been developed by Lemesle-Varloot et al. (Biochimie 72, 555-574), 1990). This consists of comparing several sequences simultaneously and combining homology detection with secondary structure analysis. HCA is primarily based on the detection and comparison of structural segments constituting the hydrophobic core of globular protein domains, with or without transmembrane domains. We have applied HCA to the analysis of different families of G-protein coupled receptors, such as catecholamine receptors as well as peptide hormone receptors. Utilizing HCA the thrombin receptor, a new and as yet unique member of the family of G-protein coupled receptors, can be clearly classified as being closely related to the family of neuropeptide receptors rather than to the catecholamine receptors for which the shape of the hydrophobic clusters and the length of their third cytoplasmic loop are very different. Furthermore, the potential of HCA to predict relationships between new putative and already characterized members of this family of receptors will be presented.

Automatic treatment of the variance estimation bias in TRIPOLI-4 criticality calculations

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

Dumonteil, E.; Malvagi, F.

2012-07-01

The central limit (CLT) theorem States conditions under which the mean of a sufficiently large number of independent random variables, each with finite mean and variance, will be approximately normally distributed. The use of Monte Carlo transport codes, such as Tripoli4, relies on those conditions. While these are verified in protection applications (the cycles provide independent measurements of fluxes and related quantities), the hypothesis of independent estimates/cycles is broken in criticality mode. Indeed the power iteration technique used in this mode couples a generation to its progeny. Often, after what is called 'source convergence' this coupling almost disappears (the solutionmore » is closed to equilibrium) but for loosely coupled systems, such as for PWR or large nuclear cores, the equilibrium is never found, or at least may take time to reach, and the variance estimation such as allowed by the CLT is under-evaluated. In this paper we first propose, by the mean of two different methods, to evaluate the typical correlation length, as measured in cycles number, and then use this information to diagnose correlation problems and to provide an improved variance estimation. Those two methods are based on Fourier spectral decomposition and on the lag k autocorrelation calculation. A theoretical modeling of the autocorrelation function, based on Gauss-Markov stochastic processes, will also be presented. Tests will be performed with Tripoli4 on a PWR pin cell. (authors)« less

Systems and methods for measuring a parameter of a landfill including a barrier cap and wireless sensor systems and methods

DOEpatents

Kunerth, Dennis C.; Svoboda, John M.; Johnson, James T.

2007-03-06

A method of measuring a parameter of a landfill including a cap, without passing wires through the cap, includes burying a sensor apparatus in the landfill prior to closing the landfill with the cap; providing a reader capable of communicating with the sensor apparatus via radio frequency (RF); placing an antenna above the barrier, spaced apart from the sensor apparatus; coupling the antenna to the reader either before or after placing the antenna above the barrier; providing power to the sensor apparatus, via the antenna, by generating a field using the reader; accumulating and storing power in the sensor apparatus; sensing a parameter of the landfill using the sensor apparatus while using power; and transmitting the sensed parameter to the reader via a wireless response signal. A system for measuring a parameter of a landfill is also provided.

High-performance liquid chromatography/electrospray mass spectrometry for the analysis of modified bases in DNA: 7-(2-hydroxyethyl)guanine, the major ethylene oxide-DNA adduct.

PubMed

Leclercq, L; Laurent, C; De Pauw, E

1997-05-15

A method was developed for the analysis of 7-(2-hydroxyethyl)guanine (7HEG), the major DNA adduct formed after exposure to ethylene oxide (EO). The method is based on DNA neutral thermal hydrolysis, adduct micro-concentration, and final characterization and quantification by HPLC coupled to single-ion monitoring electrospray mass spectrometry (HPLC/SIR-ESMS). The method was found to be selective, sensitive, and easy to handle with no need for enzymatic digestion or previous sample derivatization. Detection limit was found to be close to 1 fmol of adduct injected (10(-10) M), thus allowing the detection of approximately three modified bases on 10(8) intact nucleotides in blood sample analysis. Quantification results are shown for 7HEG after calf thymus DNA and blood exposure to various doses of EO, in both cases obtaining clear dose-response relationships.

Methods in Symbolic Computation and p-Adic Valuations of Polynomials

NASA Astrophysics Data System (ADS)

Guan, Xiao

Symbolic computation has widely appear in many mathematical fields such as combinatorics, number theory and stochastic processes. The techniques created in the area of experimental mathematics provide us efficient ways of symbolic computing and verification of complicated relations. Part I consists of three problems. The first one focuses on a unimodal sequence derived from a quartic integral. Many of its properties are explored with the help of hypergeometric representations and automatic proofs. The second problem tackles the generating function of the reciprocal of Catalan number. It springs from the closed form given by Mathematica. Furthermore, three methods in special functions are used to justify this result. The third issue addresses the closed form solutions for the moments of products of generalized elliptic integrals , which combines the experimental mathematics and classical analysis. Part II concentrates on the p-adic valuations of polynomials from the perspective of trees. For a given polynomial f( n) indexed in positive integers, the package developed in Mathematica will create certain tree structure following a couple of rules. The evolution of such trees are studied both rigorously and experimentally from the view of field extension, nonparametric statistics and random matrix.

Determination of mercury in SRM crude oils and refined products by isotope dilution cold vapor ICP-MS using closed-system combustion.

PubMed

Kelly, W Robert; Long, Stephen E; Mann, Jacqueline L

2003-07-01

Mercury was determined by isotope dilution cold-vapor inductively coupled plasma mass spectrometry (ID-CV-ICP-MS) in four different liquid petroleum SRMs. Samples of approximately 0.3 g were spiked with stable (201)Hg and wet ashed in a closed system (Carius tube) using 6 g of high-purity nitric acid. Three different types of commercial oils were measured: two Texas crude oils, SRM 2721 (41.7+/-5.7 pg g(-1)) and SRM 2722 (129+/-13 pg g(-1)), a low-sulfur diesel fuel, SRM 2724b (34+/-26 pg g(-1)), and a low-sulfur residual fuel oil, SRM 1619b (3.5+/-0.74 ng g(-1)) (mean value and 95% CI). The Hg values for the crude oils and the diesel fuel are the lowest values ever reported for these matrices. The method detection limit, which is ultimately limited by method blank uncertainty, is approximately 10 pg g(-1) for a 0.3 g sample. Accurate Hg measurements in petroleum products are needed to assess the contribution to the global Hg cycle and may be needed in the near future to comply with reporting regulations for toxic elements.

Kinetic theory molecular dynamics and hot dense matter: theoretical foundations.

PubMed

Graziani, F R; Bauer, J D; Murillo, M S

2014-09-01

Electrons are weakly coupled in hot, dense matter that is created in high-energy-density experiments. They are also mildly quantum mechanical and the ions associated with them are classical and may be strongly coupled. In addition, the dynamical evolution of plasmas under these hot, dense matter conditions involve a variety of transport and energy exchange processes. Quantum kinetic theory is an ideal tool for treating the electrons but it is not adequate for treating the ions. Molecular dynamics is perfectly suited to describe the classical, strongly coupled ions but not the electrons. We develop a method that combines a Wigner kinetic treatment of the electrons with classical molecular dynamics for the ions. We refer to this hybrid method as "kinetic theory molecular dynamics," or KTMD. The purpose of this paper is to derive KTMD from first principles and place it on a firm theoretical foundation. The framework that KTMD provides for simulating plasmas in the hot, dense regime is particularly useful since current computational methods are generally limited by their inability to treat the dynamical quantum evolution of the electronic component. Using the N-body von Neumann equation for the electron-proton plasma, three variations of KTMD are obtained. Each variant is determined by the physical state of the plasma (e.g., collisional versus collisionless). The first variant of KTMD yields a closed set of equations consisting of a mean-field quantum kinetic equation for the electron one-particle distribution function coupled to a classical Liouville equation for the protons. The latter equation includes both proton-proton Coulombic interactions and an effective electron-proton interaction that involves the convolution of the electron density with the electron-proton Coulomb potential. The mean-field approach is then extended to incorporate equilibrium electron-proton correlations through the Singwi-Tosi-Land-Sjolander (STLS) ansatz. This is the second variant of KTMD. The STLS contribution produces an effective electron-proton interaction that involves the electron-proton structure factor, thereby extending the usual mean-field theory to correlated but near equilibrium systems. Finally, a third variant of KTMD is derived. It includes dynamical electrons and their correlations coupled to a MD description for the ions. A set of coupled equations for the one-particle electron Wigner function and the electron-electron and electron-proton correlation functions are coupled to a classical Liouville equation for the protons. This latter variation has both time and momentum dependent correlations.

Closed-Form Evaluation of Mutual Coupling in a Planar Array of Circular Apertures

NASA Technical Reports Server (NTRS)

Bailey, M. C.

1996-01-01

The integral expression for the mutual admittance between circular apertures in a planar array is evaluated in closed form. Very good accuracy is realized when compared with values that were obtained by numerical integration. Utilization of this closed-form expression, for all element pairs that are separated by more than one element spacing, yields extremely accurate results and significantly reduces the computation time that is required to analyze the performance of a large electronically scanning antenna array.

Modeling, simulation and control of pulsed DE-GMA welding process for joining of aluminum to steel

NASA Astrophysics Data System (ADS)

Zhang, Gang; Shi, Yu; Li, Jie; Huang, Jiankang; Fan, Ding

2014-09-01

Joining of aluminum to steel has attracted significant attention from the welding research community, automotive and rail transportation industries. Many current welding methods have been developed and applied, however, they can not precisely control the heat input to work-piece, they are high costs, low efficiency and consist lots of complex welding devices, and the generated intermetallic compound layer in weld bead interface is thicker. A novel pulsed double electrode gas metal arc welding(Pulsed DE-GMAW) method is developed. To achieve a stable welding process for joining of aluminum to steel, a mathematical model of coupled arc is established, and a new control scheme that uses the average feedback arc voltage of main loop to adjust the wire feed speed to control coupled arc length is proposed and developed. Then, the impulse control simulation of coupled arc length, wire feed speed and wire extension is conducted to demonstrate the mathematical model and predict the stability of welding process by changing the distance of contact tip to work-piece(CTWD). To prove the proposed PSO based PID control scheme's feasibility, the rapid prototyping experimental system is setup and the bead-on-plate control experiments are conducted to join aluminum to steel. The impulse control simulation shows that the established model can accurately represent the variation of coupled arc length, wire feed speed and the average main arc voltage when the welding process is disturbed, and the developed controller has a faster response and adjustment, only runs about 0.1 s. The captured electric signals show the main arc voltage gradually closes to the supposed arc voltage by adjusting the wire feed speed in 0.8 s. The obtained typical current waveform demonstrates that the main current can be reduced by controlling the bypass current under maintaining a relative large total current. The control experiment proves the accuracy of proposed model and feasibility of new control scheme further. The beautiful and smooth weld beads are also obtained by this method. Pulsed DE-GMAW can thus be considered as an alternative method for low cost, high efficiency joining of aluminum to steel.

Metal-enhanced fluorescence exciplex emission.

PubMed

Zhang, Yongxia; Mali, Buddha L; Geddes, Chris D

2012-01-01

In this letter, we report the first observation of metal-enhanced exciplex fluorescence, observed from anthracene in the presence of diethylaniline. Anthracene in the presence of diethylaniline in close proximity to Silver Island Films (SIFs) shows enhanced monomer and exciplex emission as compared to a non-silvered control sample containing no silver nanoparticles. Our findings suggest two complementary methods for the enhancement: (i) surface plasmons can radiate coupled monomer and exciplex fluorescence efficiently, and (ii) enhanced absorption (enhanced electric near-field) further facilitates enhanced emission. Our exciplex studies help us to further understand the complex photophysics of the metal-enhanced fluorescence technology. Copyright © 2011 Elsevier B.V. All rights reserved.

System and method for filling a plurality of isolated vehicle fluid circuits through a common fluid fill port

DOEpatents

Sullivan, Scott C; Fansler, Douglas

2014-10-14

A vehicle having multiple isolated fluid circuits configured to be filled through a common fill port includes a first fluid circuit disposed within the vehicle, the first fluid circuit having a first fill port, a second fluid circuit disposed within the vehicle, and a conduit defining a fluid passageway between the first fluid circuit and second fluid circuit, the conduit including a valve. The valve is configured such that the first and second fluid circuits are fluidly coupled via the passageway when the valve is open, and are fluidly isolated when the valve is closed.

Qubit transfer between photons at telecom and visible wavelengths in a slow-light atomic medium

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

Gogyan, A.

We propose a method that enables efficient conversion of the quantum information frequency between different regions of a spectrum of light based on recently demonstrated strong parametric coupling between two narrow-band single-photon pulses propagating in a slow-light atomic medium [N. Sisakyan and Yu. Malakyan, Phys. Rev. A, 75, 063831 (2007)]. We show that an input qubit at telecom wavelength is transformed into another at a visible domain in a lossless and shape-conserving manner while keeping the initial quantum coherence and entanglement. These transformations can be realized with a quantum efficiency close to its maximum value.

Laser-fiber coupling by means of a silicon micro-optical bench and a self-aligned soldering process

NASA Astrophysics Data System (ADS)

Schmidt, Jan P.; Cordes, A.; Mueller, Joerg; Burkhardt, Hans

1995-02-01

The alignment of laser diodes to monomode fibers has to meet extremely close tolerances for a low coupling loss. Typically < 0.5 micrometers in lateral and vertical direction and less than two degrees in angle deviation are allowed for a coupling loss below 2 dB. Presently such close tolerances can only be met by gluing or soldering both components on separate base plates and combining them via piezoactivated alignment monitoring the output of the circuit and then gluing them using UV-hardening epoxies. Such a procedure is not very economical and not useful for mass applications. This paper presents the principle and realization of a silicon micro-optical bench for laser-fiber-coupling, which avoids the above mentioned disadvantages. The micro-optical bench is realized using well controlled plasma etching processes to transfer the guiding patterns for the laser and the fiber into the silicon substrate, keeping geometry tolerances below +/- 0.5 micrometers in lateral and vertical direction. Mounting the laser diode by means of a self-aligned soldering process, an additional contribution to the precise alignment of the laser is further improved.

Integrable subsectors from holography

NASA Astrophysics Data System (ADS)

de Mello Koch, Robert; Kim, Minkyoo; Van Zyl, Hendrik J. R.

2018-05-01

We consider operators in N=4 super Yang-Mills theory dual to closed string states propagating on a class of LLM geometries. The LLM geometries we consider are specified by a boundary condition that is a set of black rings on the LLM plane. When projected to the LLM plane, the closed strings are polygons with all corners lying on the outer edge of a single ring. The large N limit of correlators of these operators receives contributions from non-planar diagrams even for the leading large N dynamics. Our interest in these fluctuations is because a previous weak coupling analysis argues that the net effect of summing the huge set of non-planar diagrams, is a simple rescaling of the 't Hooft coupling. We carry out some nontrivial checks of this proposal. Using the su(2|2)2 symmetry we determine the two magnon S-matrix and demonstrate that it agrees, up to two loops, with a weak coupling computation performed in the CFT. We also compute the first finite size corrections to both the magnon and the dyonic magnon by constructing solutions to the Nambu-Goto action that carry finite angular momentum. These finite size computations constitute a strong coupling confirmation of the proposal.

Closing in on the radiative weak chiral couplings

NASA Astrophysics Data System (ADS)

Cappiello, Luigi; Catà, Oscar; D'Ambrosio, Giancarlo

2018-03-01

We point out that, given the current experimental status of radiative kaon decays, a subclass of the O (p^4) counterterms of the weak chiral lagrangian can be determined in closed form. This involves in a decisive way the decay K^± → π ^± π ^0 l^+ l^-, currently being measured at CERN by the NA48/2 and NA62 collaborations. We show that consistency with other radiative kaon decay measurements leads to a rather clean prediction for the {O}(p^4) weak couplings entering this decay mode. This results in a characteristic pattern for the interference Dalitz plot, susceptible to be tested already with the limited statistics available at NA48/2. We also provide the first analysis of K_S→ π ^+π ^-γ ^*, which will be measured by LHCb and will help reduce (together with the related K_L decay) the experimental uncertainty on the radiative weak chiral couplings. A precise experimental determination of the {O}(p^4) weak couplings is important in order to assess the validity of the existing theoretical models in a conclusive way. We briefly comment on the current theoretical situation and discuss the merits of the different theoretical approaches.

A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity.

PubMed

Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

2015-10-14

While diabatic approaches are ubiquitous for the understanding of electron-transfer reactions and have been mooted as being of general relevance, alternate applications have not been able to unify the same wide range of observed spectroscopic and kinetic properties. The cause of this is identified as the fundamentally different orbital configurations involved: charge-transfer phenomena involve typically either 1 or 3 electrons in two orbitals whereas most reactions are typically closed shell. As a result, two vibrationally coupled electronic states depict charge-transfer scenarios whereas three coupled states arise for closed-shell reactions of non-degenerate molecules and seven states for the reactions implicated in the aromaticity of benzene. Previous diabatic treatments of closed-shell processes have considered only two arbitrarily chosen states as being critical, mapping these states to those for electron transfer. We show that such effective two-state diabatic models are feasible but involve renormalized electronic coupling and vibrational coupling parameters, with this renormalization being property dependent. With this caveat, diabatic models are shown to provide excellent descriptions of the spectroscopy and kinetics of the ammonia inversion reaction, proton transfer in N2H7(+), and aromaticity in benzene. This allows for the development of a single simple theory that can semi-quantitatively describe all of these chemical phenomena, as well as of course electron-transfer reactions. It forms a basis for understanding many technologically relevant aspects of chemical reactions, condensed-matter physics, chemical quantum entanglement, nanotechnology, and natural or artificial solar energy capture and conversion.

Enzymatic electrochemical detection coupled to multivariate calibration for the determination of phenolic compounds in environmental samples.

PubMed

Hernandez, Silvia R; Kergaravat, Silvina V; Pividori, Maria Isabel

2013-03-15

An approach based on the electrochemical detection of the horseradish peroxidase enzymatic reaction by means of square wave voltammetry was developed for the determination of phenolic compounds in environmental samples. First, a systematic optimization procedure of three factors involved in the enzymatic reaction was carried out using response surface methodology through a central composite design. Second, the enzymatic electrochemical detection coupled with a multivariate calibration method based in the partial least-squares technique was optimized for the determination of a mixture of five phenolic compounds, i.e. phenol, p-aminophenol, p-chlorophenol, hydroquinone and pyrocatechol. The calibration and validation sets were built and assessed. In the calibration model, the LODs for phenolic compounds oscillated from 0.6 to 1.4 × 10(-6) mol L(-1). Recoveries for prediction samples were higher than 85%. These compounds were analyzed simultaneously in spiked samples and in water samples collected close to tanneries and landfills. Published by Elsevier B.V.

Determination of $${{\\rm{\\Lambda }}}_{\\overline{{\\rm{MS}}}}$$ at five loops from holographic QCD

DOE PAGES

Deur, Alexandre; Brodsky, Stanley J.; de Téramond, Guy F.

2017-08-25

Here, the recent determination of themore » $$\\beta$$--function of the QCD running coupling $$\\alpha_{\\overline{MS}}(Q^2)$$ to five-loops, provides a verification of the convergence of a novel method for determining the fundamental QCD parameter $$\\Lambda_s$$ based on the Light-Front Holographic approach to nonperturbative QCD. The new 5-loop analysis, together with improvements in determining the holographic QCD nonperturbative scale parameter $$\\kappa$$ from hadronic spectroscopy, leads to an improved precision of the value of $$\\Lambda_s$$ in the $${\\overline{MS}}$$ scheme close to a factor of two; we find $$\\Lambda^{(3)}_{\\overline{MS}}=0.339\\pm0.019$$ GeV for $$n_{f}=3$$, in excellent agreement with the world average, $$\\Lambda_{\\overline{MS}}^{(3)}=0.332\\pm0.017$$ GeV. Lastly, we also discuss the constraints imposed on the scale dependence of the strong coupling in the nonperturbative domain by superconformal quantum mechanics and its holographic embedding in anti-de Sitter space.« less

Fine-structure resolved rotational transitions and database for CN+H2 collisions

NASA Astrophysics Data System (ADS)

Burton, Hannah; Mysliwiec, Ryan; Forrey, Robert C.; Yang, B. H.; Stancil, P. C.; Balakrishnan, N.

2018-06-01

Cross sections and rate coefficients for CN+H2 collisions are calculated using the coupled states (CS) approximation. The calculations are benchmarked against more accurate close-coupling (CC) calculations for transitions between low-lying rotational states. Comparisons are made between the two formulations for collision energies greater than 10 cm-1. The CS approximation is used to construct a database which includes highly excited rotational states that are beyond the practical limitations of the CC method. The database includes fine-structure resolved rotational quenching transitions for v = 0 and j ≤ 40, where v and j are the vibrational and rotational quantum numbers of the initial state of the CN molecule. Rate coefficients are computed for both para-H2 and ortho-H2 colliders. The results are shown to be in good agreement with previous calculations, however, the rates are substantially different from mass-scaled CN+He rates that are often used in astrophysical models.

Ultra-compact Marx-type high-voltage generator

DOEpatents

Goerz, David A.; Wilson, Michael J.

2000-01-01

An ultra-compact Marx-type high-voltage generator includes individual high-performance components that are closely coupled and integrated into an extremely compact assembly. In one embodiment, a repetitively-switched, ultra-compact Marx generator includes low-profile, annular-shaped, high-voltage, ceramic capacitors with contoured edges and coplanar extended electrodes used for primary energy storage; low-profile, low-inductance, high-voltage, pressurized gas switches with compact gas envelopes suitably designed to be integrated with the annular capacitors; feed-forward, high-voltage, ceramic capacitors attached across successive switch-capacitor-switch stages to couple the necessary energy forward to sufficiently overvoltage the spark gap of the next in-line switch; optimally shaped electrodes and insulator surfaces to reduce electric field stresses in the weakest regions where dissimilar materials meet, and to spread the fields more evenly throughout the dielectric materials, allowing them to operate closer to their intrinsic breakdown levels; and uses manufacturing and assembly methods to integrate the capacitors and switches into stages that can be arranged into a low-profile Marx generator.

Theoretical prediction of nuclear magnetic shieldings and indirect spin-spin coupling constants in 1,1-, cis-, and trans-1,2-difluoroethylenes

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

Nozirov, Farhod, E-mail: teobaldk@gmail.com, E-mail: farhod.nozirov@gmail.com; Stachów, Michał, E-mail: michal.stachow@gmail.com; Kupka, Teobald, E-mail: teobaldk@gmail.com, E-mail: farhod.nozirov@gmail.com

2014-04-14

A theoretical prediction of nuclear magnetic shieldings and indirect spin-spin coupling constants in 1,1-, cis- and trans-1,2-difluoroethylenes is reported. The results obtained using density functional theory (DFT) combined with large basis sets and gauge-independent atomic orbital calculations were critically compared with experiment and conventional, higher level correlated electronic structure methods. Accurate structural, vibrational, and NMR parameters of difluoroethylenes were obtained using several density functionals combined with dedicated basis sets. B3LYP/6-311++G(3df,2pd) optimized structures of difluoroethylenes closely reproduced experimental geometries and earlier reported benchmark coupled cluster results, while BLYP/6-311++G(3df,2pd) produced accurate harmonic vibrational frequencies. The most accurate vibrations were obtained using B3LYP/6-311++G(3df,2pd)more » with correction for anharmonicity. Becke half and half (BHandH) density functional predicted more accurate {sup 19}F isotropic shieldings and van Voorhis and Scuseria's τ-dependent gradient-corrected correlation functional yielded better carbon shieldings than B3LYP. A surprisingly good performance of Hartree-Fock (HF) method in predicting nuclear shieldings in these molecules was observed. Inclusion of zero-point vibrational correction markedly improved agreement with experiment for nuclear shieldings calculated by HF, MP2, CCSD, and CCSD(T) methods but worsened the DFT results. The threefold improvement in accuracy when predicting {sup 2}J(FF) in 1,1-difluoroethylene for BHandH density functional compared to B3LYP was observed (the deviations from experiment were −46 vs. −115 Hz)« less

The structural coupling between ATPase activation and recovery stroke in the myosin II motor

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

Koppole, Sampath; Smith, Jeremy C; Fischer, S.

2007-07-01

Before the myosin motor head can perform the next power stroke, it undergoes a large conformational transition in which the converter domain, bearing the lever arm, rotates {approx} 65{sup o}. Simultaneous with this 'recovery stroke', myosin activates its ATPase function by closing the Switch-2 loop over the bound ATP. This coupling between the motions of the converter domain and of the 40 {angstrom}-distant Switch-2 loop is essential to avoid unproductive ATP hydrolysis. The coupling mechanism is determined here by finding a series of optimized intermediates between crystallographic end structures of the recovery stroke (Dictyostelium discoideum), yielding movies of the transitionmore » at atomic detail. The successive formation of two hydrogen bonds by the Switch-2 loop is correlated with the successive see-saw motions of the relay and SH1 helices that hold the converter domain. SH1 helix and Switch-2 loop communicate via a highly conserved loop that wedges against the SH1-helix upon Switch-2 closing.« less

The structural coupling between ATPase activation and recovery stroke in the myosin II motor.

PubMed

Koppole, Sampath; Smith, Jeremy C; Fischer, Stefan

2007-07-01

Before the myosin motor head can perform the next power stroke, it undergoes a large conformational transition in which the converter domain, bearing the lever arm, rotates approximately 65 degrees . Simultaneous with this "recovery stroke," myosin activates its ATPase function by closing the Switch-2 loop over the bound ATP. This coupling between the motions of the converter domain and of the 40 A-distant Switch-2 loop is essential to avoid unproductive ATP hydrolysis. The coupling mechanism is determined here by finding a series of optimized intermediates between crystallographic end structures of the recovery stroke (Dictyostelium discoideum), yielding movies of the transition at atomic detail. The successive formation of two hydrogen bonds by the Switch-2 loop is correlated with the successive see-saw motions of the relay and SH1 helices that hold the converter domain. SH1 helix and Switch-2 loop communicate via a highly conserved loop that wedges against the SH1-helix upon Switch-2 closing.

Touch increases autonomic coupling between romantic partners

PubMed Central

Chatel-Goldman, Jonas; Congedo, Marco; Jutten, Christian; Schwartz, Jean-Luc

2014-01-01

Interpersonal touch is of paramount importance in human social bonding and close relationships, allowing a unique channel for affect communication. So far the effect of touch on human physiology has been studied at an individual level. The present study aims at extending the study of affective touch from isolated individuals to truly interacting dyads. We have designed an ecological paradigm where romantic partners interact only via touch and we manipulate their empathic states. Simultaneously, we collected their autonomic activity (skin conductance, pulse, respiration). Fourteen couples participated to the experiment. We found that interpersonal touch increased coupling of electrodermal activity between the interacting partners, regardless the intensity and valence of the emotion felt. In addition, physical touch induced strong and reliable changes in physiological states within individuals. These results support an instrumental role of interpersonal touch for affective support in close relationships. Furthermore, they suggest that touch alone allows the emergence of a somatovisceral resonance between interacting individuals, which in turn is likely to form the prerequisites for emotional contagion and empathy. PMID:24734009

Interactions of toroidally coupled tearing modes in the KSTAR tokamak

NASA Astrophysics Data System (ADS)

Kim, Gnan; Yun, Gunsu S.; Woo, Minho; Park, Hyeon K.; KSTAR Team2, the

2018-03-01

The evolutions of toroidally coupled radially-distant and radially-adjacent tearing modes are visualized in 2D in detail on the Korea superconducting tokamak for advanced research. The coupled tearing modes are in-phase on the out-board mid-plane and become destabilized or compete with each other depending on their spatial separation. When two coupled tearing modes are far apart, both are increasingly destabilized. On the other hand, when they become close to each other, one becomes stabilized while the other becomes destabilized. In such cases, an additional tearing mode is often formed on outer rational flux surface and the three tearing modes compete. The competitions suggest that spatial overlap (merging) of coupled magnetic islands is difficult.

COSMOLOGY OF CHAMELEONS WITH POWER-LAW COUPLINGS

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

Mota, David F.; Winther, Hans A.

2011-05-20

In chameleon field theories, a scalar field can couple to matter with gravitational strength and still evade local gravity constraints due to a combination of self-interactions and the couplings to matter. Originally, these theories were proposed with a constant coupling to matter; however, the chameleon mechanism also extends to the case where the coupling becomes field dependent. We study the cosmology of chameleon models with power-law couplings and power-law potentials. It is found that these generalized chameleons, when viable, have a background expansion very close to {Lambda}CDM, but can in some special cases enhance the growth of the linear perturbationsmore » at low redshifts. For the models we consider, it is found that this region of the parameter space is ruled out by local gravity constraints. Imposing a coupling to dark matter only, the local constraints are avoided, and it is possible to have observable signatures on the linear matter perturbations.« less

Androgynous, Reconfigurable Closed Loop Feedback Controlled Low Impact Docking System With Load Sensing Electromagnetic Capture Ring

NASA Technical Reports Server (NTRS)

Lewis, James L. (Inventor); Carroll, Monty B. (Inventor); Morales, Ray H. (Inventor); Le, Thang D. (Inventor)

2002-01-01

The present invention relates to a fully androgynous, reconfigurable closed loop feedback controlled low impact docking system with load sensing electromagnetic capture ring. The docking system of the present invention preferably comprises two Docking- assemblies, each docking assembly comprising a load sensing ring having an outer face, one of more electromagnets, one or more load cells coupled to said load sensing ring. The docking assembly further comprises a plurality of actuator arms coupled to said load sensing ring and capable of dynamically adjusting the orientation of said load sensing ring and a reconfigurable closed loop control system capable of analyzing signals originating from said plurality of load cells and of outputting real time control for each of the actuators. The docking assembly of the present invention incorporates an active load sensing system to automatically dynamically adjust the load sensing ring during capture instead of requiring significant force to push and realign the ring.

Chromosomal Arrangement of Phosphorelay Genes Couples Sporulation and DNA Replication.

PubMed

Narula, Jatin; Kuchina, Anna; Lee, Dong-Yeon D; Fujita, Masaya; Süel, Gürol M; Igoshin, Oleg A

2015-07-16

Genes encoding proteins in a common regulatory network are frequently located close to one another on the chromosome to facilitate co-regulation or couple gene expression to growth rate. Contrasting with these observations, here, we demonstrate a functional role for the arrangement of Bacillus subtilis sporulation network genes on opposite sides of the chromosome. We show that the arrangement of two sporulation network genes, one located close to the origin and the other close to the terminus, leads to a transient gene dosage imbalance during chromosome replication. This imbalance is detected by the sporulation network to produce cell-cycle coordinated pulses of the sporulation master regulator Spo0A∼P. This pulsed response allows cells to decide between sporulation and continued vegetative growth during each cell cycle spent in starvation. The simplicity of this coordination mechanism suggests that it may be widely applicable in a variety of gene regulatory and stress-response settings. VIDEO ABSTRACT. Copyright © 2015 Elsevier Inc. All rights reserved.

Shared Relationship Efficacy of Dyad Can Increase Life Satisfaction in Close Relationships: Multilevel Study

PubMed Central

Ito, Kenichi; Yoshida, Toshikazu

2016-01-01

Characteristics of relationship itself play an important role in determining well-being of individuals who participate in the relationship. We used efficacy expectations mutually shared between close friends or romantic partners as a characteristic of relationship and investigated its impact on their life satisfaction. In Study 1, we conducted a cross-sectional study among 137 pairs of close same-sex friends to test whether the efficacy expectations shared between friends are associated with levels of life satisfaction. In Study 2, we conducted a longitudinal study among 114 heterosexual romantic couples to test predictive validity of the efficacy expectations shared between couples predict levels of life satisfaction 2 month later. In both studies we found a consistent result that as degrees of the efficacy expectations shared between individuals in a relationship increased, the degree of their life satisfaction also increased. Underlying mechanisms that explain how characteristics of relationship itself increase life satisfaction are discussed. PMID:27437946

Formation of Circumbinary Planets in a Dead Zone

NASA Astrophysics Data System (ADS)

Martin, Rebecca G.; Armitage, Philip J.; Alexander, Richard D.

2013-08-01

Circumbinary planets have been observed at orbital radii where binary perturbations may have significant effects on the gas disk structure, on planetesimal velocity dispersion, and on the coupling between turbulence and planetesimals. Here, we note that the impact of all of these effects on planet formation is qualitatively altered if the circumbinary disk structure is layered, with a non-turbulent midplane layer (dead zone) and strongly turbulent surface layers. For close binaries, we find that the dead zone typically extends from a radius close to the inner disk edge up to a radius of around 10-20 AU from the center of mass of the binary. The peak in the surface density occurs within the dead zone, far from the inner disk edge, close to the snow line, and may act as a trap for aerodynamically coupled solids. We suggest that circumbinary planet formation may be easier near this preferential location than for disks around single stars. However, dead zones around wide binaries are less likely, and hence planet formation may be more difficult there.

Closed-Loop Control of Humidification for Artifact Reduction in Capacitive ECG Measurements.

PubMed

Leicht, Lennart; Eilebrecht, Benjamin; Weyer, Soren; Leonhardt, Steffen; Teichmann, Daniel

2017-04-01

Recording biosignals without the need for direct skin contact offers new opportunities for ubiquitous health monitoring. Electrodes with capacitive coupling have been shown to be suitable for the monitoring of electrical potentials on the body surface, in particular ECG. However, due to triboelectric charge generation and motion artifacts, signal and thus diagnostic quality is inferior to galvanic coupling. Active closed-loop humidification of capacitive electrodes is proposed in this work as a new concept to improve signal quality. A capacitive ECG recording system integrated into a common car seat is presented. It can regulate the micro climate at the interface of electrode and patient by actively dispensing water vapour and monitoring humidity in a closed-loop approach. As a regenerative water reservoir, silica gel is used. The system was evaluated with respect to subjective and objective ECG signal quality. Active humidification was found to have a significant positive effect in case of previously poor quality. Also, it had no diminishing effect in case of already good signal quality.

Concerted Dynamic Motions of an FABP4 Model and Its Ligands Revealed by Microsecond Molecular Dynamics Simulations

PubMed Central

2015-01-01

In this work, we investigate the dynamic motions of fatty acid binding protein 4 (FABP4) in the absence and presence of a ligand by explicitly solvated all-atom molecular dynamics simulations. The dynamics of one ligand-free FABP4 and four ligand-bound FABP4s is compared via multiple 1.2 μs simulations. In our simulations, the protein interconverts between the open and closed states. Ligand-free FABP4 prefers the closed state, whereas ligand binding induces a conformational transition to the open state. Coupled with opening and closing of FABP4, the ligand adopts distinct binding modes, which are identified and compared with crystal structures. The concerted dynamics of protein and ligand suggests that there may exist multiple FABP4–ligand binding conformations. Thus, this work provides details about how ligand binding affects the conformational preference of FABP4 and how ligand binding is coupled with a conformational change of FABP4 at an atomic level. PMID:25231537

Concerted dynamic motions of an FABP4 model and its ligands revealed by microsecond molecular dynamics simulations.

PubMed

Li, Yan; Li, Xiang; Dong, Zigang

2014-10-14

In this work, we investigate the dynamic motions of fatty acid binding protein 4 (FABP4) in the absence and presence of a ligand by explicitly solvated all-atom molecular dynamics simulations. The dynamics of one ligand-free FABP4 and four ligand-bound FABP4s is compared via multiple 1.2 μs simulations. In our simulations, the protein interconverts between the open and closed states. Ligand-free FABP4 prefers the closed state, whereas ligand binding induces a conformational transition to the open state. Coupled with opening and closing of FABP4, the ligand adopts distinct binding modes, which are identified and compared with crystal structures. The concerted dynamics of protein and ligand suggests that there may exist multiple FABP4-ligand binding conformations. Thus, this work provides details about how ligand binding affects the conformational preference of FABP4 and how ligand binding is coupled with a conformational change of FABP4 at an atomic level.

Ab initio excited states from the in-medium similarity renormalization group

NASA Astrophysics Data System (ADS)

Parzuchowski, N. M.; Morris, T. D.; Bogner, S. K.

2017-04-01

We present two new methods for performing ab initio calculations of excited states for closed-shell systems within the in-medium similarity renormalization group (IMSRG) framework. Both are based on combining the IMSRG with simple many-body methods commonly used to target excited states, such as the Tamm-Dancoff approximation (TDA) and equations-of-motion (EOM) techniques. In the first approach, a two-step sequential IMSRG transformation is used to drive the Hamiltonian to a form where a simple TDA calculation (i.e., diagonalization in the space of 1 p 1 h excitations) becomes exact for a subset of eigenvalues. In the second approach, EOM techniques are applied to the IMSRG ground-state-decoupled Hamiltonian to access excited states. We perform proof-of-principle calculations for parabolic quantum dots in two dimensions and the closed-shell nuclei 16O and 22O. We find that the TDA-IMSRG approach gives better accuracy than the EOM-IMSRG when calculations converge, but it is otherwise lacking the versatility and numerical stability of the latter. Our calculated spectra are in reasonable agreement with analogous EOM-coupled-cluster calculations. This work paves the way for more interesting applications of the EOM-IMSRG approach to calculations of consistently evolved observables such as electromagnetic strength functions and nuclear matrix elements, and extensions to nuclei within one or two nucleons of a closed shell by generalizing the EOM ladder operator to include particle-number nonconserving terms.

CC, CS, and IOS generalized phenomenological cross sections for atom--diatom mixtures

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

Fitz, D.E.; Kouri, D.J.; Evans, D.

1981-05-01

Close coupled expressions for phenomenological cross sections which describe transport properties of atom--diatom mixtures are obtained in the total-J coupling scheme and are related to the bracket integrals of kinetic theory. Coupled states and infinite order sudden expressions for the generalized phenomenological cross sections using initial, final, and average l-labeling are also given. Particular care is taken to use a phase convention for the CS and IOS approximations which is consistent with the Arthurs--Dalgarno formalism and which gives the correct behavior of degeneracy averaged differential cross sections.