A quasiparticle-based multi-reference coupled-cluster method.

PubMed

Rolik, Zoltán; Kállay, Mihály

2014-10-07

The purpose of this paper is to introduce a quasiparticle-based multi-reference coupled-cluster (MRCC) approach. The quasiparticles are introduced via a unitary transformation which allows us to represent a complete active space reference function and other elements of an orthonormal multi-reference (MR) basis in a determinant-like form. The quasiparticle creation and annihilation operators satisfy the fermion anti-commutation relations. On the basis of these quasiparticles, a generalization of the normal-ordered operator products for the MR case can be introduced as an alternative to the approach of Mukherjee and Kutzelnigg [Recent Prog. Many-Body Theor. 4, 127 (1995); Mukherjee and Kutzelnigg, J. Chem. Phys. 107, 432 (1997)]. Based on the new normal ordering any quasiparticle-based theory can be formulated using the well-known diagram techniques. Beyond the general quasiparticle framework we also present a possible realization of the unitary transformation. The suggested transformation has an exponential form where the parameters, holding exclusively active indices, are defined in a form similar to the wave operator of the unitary coupled-cluster approach. The definition of our quasiparticle-based MRCC approach strictly follows the form of the single-reference coupled-cluster method and retains several of its beneficial properties. Test results for small systems are presented using a pilot implementation of the new approach and compared to those obtained by other MR methods.

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

Bridging single and multireference coupled cluster theories with universal state selective formalism

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

Bhaskaran-Nair, Kiran; Kowalski, Karol

2013-05-28

The universal state selective (USS) multireference approach is used to construct new energy functionals which offers a unique possibility of bridging single and multireference coupled cluster theories (SR/MRCC). These functionals, which can be used to develop iterative and non-iterative approaches, utilize a special form of the trial wavefunctions, which assure additive separability (or size-consistency) of the USS energies in the non-interacting subsystem limit. When the USS formalism is combined with approximate SRCC theories, the resulting formalism can be viewed as a size-consistent version of the method of moments of coupled cluster equations (MMCC) employing a MRCC trial wavefunction. Special casesmore » of the USS formulations, which utilize single reference state specific CC (V.V. Ivanov, D.I. Lyakh, L. Adamowicz, Phys. Chem. Chem. Phys. 11, 2355 (2009)) and tailored CC (T. Kinoshita, O. Hino, R.J. Bartlett, J. Chem. Phys. 123, 074106 (2005)) expansions are also discussed.« less

Attenuated coupled cluster: a heuristic polynomial similarity transformation incorporating spin symmetry projection into traditional coupled cluster theory

NASA Astrophysics Data System (ADS)

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

2017-11-01

In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak correlation but fails catastrophically under strong correlation. Spin-projected unrestricted Hartree-Fock (SUHF), on the other hand, misses weak correlation but captures a large portion of strong correlation. The theoretical description of many important processes, e.g. molecular dissociation, requires a method capable of accurately capturing both weak and strong correlation simultaneously, and would likely benefit from a combined CC-SUHF approach. Based on what we have recently learned about SUHF written as particle-hole excitations out of a symmetry-adapted reference determinant, we here propose a heuristic CC doubles model to attenuate the dominant spin collective channel of the quadratic terms in the CC equations. Proof of principle results presented here are encouraging and point to several paths forward for improving the method further.

Phenomenology of electromagnetic coupling: Conductors penetrating an aperture

NASA Astrophysics Data System (ADS)

Wright, D. B.; King, R. J.

1987-06-01

The purpose of this study was to investigate the coupling effects of penetrating conductors through free-standing apertures. This penetrating conductor and aperture arrangement are referred to as a modified aperture. A penetrating conductor is defined here to be a thin, single wire bent twice at 90 angles. The wire was inserted through a rectangular aperture in a metal wall. Vertical segments on both sides of the wall coupled energy from one region to the other. Energy was incident upon the modified aperture from what is referred to as the exterior region. The amount of coupling was measured by a D sensor on the other (interior) side of the wall. This configuration of an aperture in a metal wall was used as opposed to an aperture in a cavity in order to simplify the interpretation of resulting data. The added complexity of multiple cavity resonances was therefore eliminated. Determining the effects of penetrating conductors on aperture coupling is one of several topics being investigated as part of on-going research at Lawrence Livermore National Laboratory on the phenomenology of electromagnetic coupling. These phenomenology studies are concerned with the vulnerability of electronic systems to high intensity electromagnetic fields. The investigation is relevant to high altitude EMP (HEMP), enhanced HEMP (EHEMP), and high power microwave (HPM) coupling.

Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

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

Mai, Sebastian; Marquetand, Philipp; González, Leticia

2014-08-21

An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbitmore » coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.« less

Strong coupling and stimulated emission in single parabolic quantum well microcavity for terahertz cascade

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

Tzimis, A.; Savvidis, P. G.; Institute of Electronic Structure and Laser, Foundation for Research and Technology - Hellas, 71110 Heraklion, Crete

2015-09-07

We report observation of strong light-matter coupling in an AlGaAs microcavity (MC) with an embedded single parabolic quantum well. The parabolic potential is achieved by varying aluminum concentration along the growth direction providing equally spaced energy levels, as confirmed by Brewster angle reflectivity from a reference sample without MC. It acts as an active region of the structure which potentially allows cascaded emission of terahertz (THz) light. Spectrally and time resolved pump-probe spectroscopy reveals characteristic quantum beats whose frequencies range from 0.9 to 4.5 THz, corresponding to energy separation between relevant excitonic levels. The structure exhibits strong stimulated nonlinear emissionmore » with simultaneous transition to weak coupling regime. The present study highlights the potential of such devices for creating cascaded relaxation of bosons, which could be utilized for THz emission.« less

Development of New Open-Shell Perturbation and Coupled-Cluster Theories Based on Symmetric Spin Orbitals

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Arnold, James O. (Technical Monitor)

1994-01-01

A new spin orbital basis is employed in the development of efficient open-shell coupled-cluster and perturbation theories that are based on a restricted Hartree-Fock (RHF) reference function. The spin orbital basis differs from the standard one in the spin functions that are associated with the singly occupied spatial orbital. The occupied orbital (in the spin orbital basis) is assigned the delta(+) = 1/square root of 2(alpha+Beta) spin function while the unoccupied orbital is assigned the delta(-) = 1/square root of 2(alpha-Beta) spin function. The doubly occupied and unoccupied orbitals (in the reference function) are assigned the standard alpha and Beta spin functions. The coupled-cluster and perturbation theory wave functions based on this set of "symmetric spin orbitals" exhibit much more symmetry than those based on the standard spin orbital basis. This, together with interacting space arguments, leads to a dramatic reduction in the computational cost for both coupled-cluster and perturbation theory. Additionally, perturbation theory based on "symmetric spin orbitals" obeys Brillouin's theorem provided that spin and spatial excitations are both considered. Other properties of the coupled-cluster and perturbation theory wave functions and models will be discussed.

Singlet Excited States of Cl and Br Molecules: New Theories Applied to the -XO and -XO2 (X=C1 and Br) Chromophores

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Srinivasan, Parthiban; Head-Gordon, Martin; Huo, Winifred (Technical Monitor)

1998-01-01

Electronic excitation energies are determined using single-reference based theories derived from response equations involving perturbation theory and coupled-cluster theory. These methods are applied to the singlet manifold of excited electronic states of the HClO, HBrO, HOClO, HOBrO, HClO2, and HBrO2 molecules. The reliability of the various perturbation theory approaches is assessed by comparison to the linear-response singles and doubles coupled-cluster (LRCCSD) method. The excitation energies for the Y-XO compounds are compared and contrasted for Y=H and HO, and X=Cl and Br. A similar comparison is performed for the H-XO2 compounds.

Comparison of the quadratic configuration interaction and coupled cluster approaches to electron correlation including the effect of triple excitations

NASA Technical Reports Server (NTRS)

Taylor, Peter R.; Lee, Timothy J.; Rendell, Alistair P.

1990-01-01

The recently proposed quadratic configuration interaction (QCI) method is compared with the more rigorous coupled cluster (CC) approach for a variety of chemical systems. Some of these systems are well represented by a single-determinant reference function and others are not. The finite order singles and doubles correlation energy, the perturbational triples correlation energy, and a recently devised diagnostic for estimating the importance of multireference effects are considered. The spectroscopic constants of CuH, the equilibrium structure of cis-(NO)2 and the binding energies of Be3, Be4, Mg3, and Mg4 were calculated using both approaches. The diagnostic for estimating multireference character clearly demonstrates that the QCI method becomes less satisfactory than the CC approach as non-dynamical correlation becomes more important, in agreement with a perturbational analysis of the two methods and the numerical estimates of the triple excitation energies they yield. The results for CuH show that the differences between the two methods become more apparent as the chemical systems under investigation becomes more multireference in nature and the QCI results consequently become less reliable. Nonetheless, when the system of interest is dominated by a single reference determinant both QCI and CC give very similar results.

A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: theory, implementation, and examples.

PubMed

Dutta, Achintya Kumar; Vaval, Nayana; Pal, Sourav

2015-01-28

We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N(6) does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B2N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base.

Quantitative analysis of gold nanoparticles in single cells by laser ablation inductively coupled plasma-mass spectrometry.

PubMed

Wang, Meng; Zheng, Ling-Na; Wang, Bing; Chen, Han-Qing; Zhao, Yu-Liang; Chai, Zhi-Fang; Reid, Helen J; Sharp, Barry L; Feng, Wei-Yue

2014-10-21

Single cell analysis has become an important field of research in recent years reflecting the heterogeneity of cellular responses in biological systems. Here, we demonstrate a new method, based on laser ablation inductively coupled plasma mass spectrometry (LA-ICPMS), which can quantify in situ gold nanoparticles (Au NPs) in single cells. Dried residues of picoliter droplets ejected by a commercial inkjet printer were used to simulate matrix-matched calibration standards. The gold mass in single cells exposed to 100 nM NIST Au NPs (Reference material 8012, 30 nm) for 4 h showed a log-normal distribution, ranging from 1.7 to 72 fg Au per cell, which approximately corresponds to 9 to 370 Au NPs per cell. The average result from 70 single cells (15 ± 13 fg Au per cell) was in good agreement with the result from an aqua regia digest solution of 1.2 × 10(6) cells (18 ± 1 fg Au per cell). The limit of quantification was 1.7 fg Au. This paper demonstrates the great potential of LA-ICPMS for single cell analysis and the beneficial study of biological responses to metal drugs or NPs at the single cell level.

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1993-01-01

The period from Jan. 1993 thru Aug. 1993 is covered. The primary tasks during this period were the development of a single and multi-vibrational temperature preferential vibration-dissociation coupling model, the development of a normal shock nonequilibrium radiation-gasdynamic coupling model based upon the blunt body model, and the comparison of results obtained with these models with experimental data. In addition, an extensive series of computations were conducted using the blunt body model to develop a set of reference results covering a wide range of vehicle sizes, altitudes, and entry velocities.

Brillouin Optomechanics in Coupled Silicon Microcavities

NASA Astrophysics Data System (ADS)

Espinel, Y. A. V.; Santos, F. G. S.; Luiz, G. O.; Alegre, T. P. Mayer; Wiederhecker, G. S.

2017-03-01

The simultaneous control of optical and mechanical waves has enabled a range of fundamental and technological breakthroughs, from the demonstration of ultra-stable frequency reference devices, to the exploration of the quantum-classical boundaries in optomechanical laser-cooling experiments. More recently, such an optomechanical interaction has been observed in integrated nano-waveguides and microcavities in the Brillouin regime, where short-wavelength mechanical modes scatter light at several GHz. Here we engineer coupled optical microcavities to enable a low threshold excitation of mechanical travelling-wave modes through backward stimulated Brillouin scattering. Exploring the backward scattering we propose silicon microcavity designs based on laterally coupled single and double-layer cavities, the proposed structures enable optomechanical coupling with very high frequency modes (11 to 25 GHz) and large optomechanical coupling rates (g0/2π) from 50 kHz to 90 kHz.

RANS Simulation (Rotating Reference Frame Model [RRF]) of Single Full Scale DOE RM1 MHK Turbine

DOE Data Explorer

Javaherchi, Teymour; Stelzenmuller, Nick; Aliseda, Alberto

2013-04-10

Attached are the .cas and .dat files for the Reynolds Averaged Navier-Stokes (RANS) simulation of a single full scale DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. In this case study taking advantage of the symmetry of the DOE RM1 geometry, only half of the geometry is modeled using (Single) Rotating Reference Frame model [RRF]. In this model RANS equations, coupled with k-\\omega turbulence closure model, are solved in the rotating reference frame. The actual geometry of the turbine blade is included and the turbulent boundary layer along the blade span is simulated using wall-function approach. The rotation of the blade is modeled by applying periodic boundary condition to sets of plane of symmetry. This case study simulates the performance and flow field in both the near and far wake of the device at the desired operating conditions. The results of these simulations showed good agreement to the only publicly available numerical simulation of the device done in the NREL. Please see the attached paper.

Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems

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

Bhaskaran-Nair, Kiran; Ma, Wenjing; Krishnamoorthy, Sriram

2013-04-09

A novel parallel algorithm for non-iterative multireference coupled cluster (MRCC) theories, which merges recently introduced reference-level parallelism (RLP) [K. Bhaskaran-Nair, J.Brabec, E. Aprà, H.J.J. van Dam, J. Pittner, K. Kowalski, J. Chem. Phys. 137, 094112 (2012)] with the possibility of accelerating numerical calculations using graphics processing unit (GPU) is presented. We discuss the performance of this algorithm on the example of the MRCCSD(T) method (iterative singles and doubles and perturbative triples), where the corrections due to triples are added to the diagonal elements of the MRCCSD (iterative singles and doubles) effective Hamiltonian matrix. The performance of the combined RLP/GPU algorithmmore » is illustrated on the example of the Brillouin-Wigner (BW) and Mukherjee (Mk) state-specific MRCCSD(T) formulations.« less

A comparison of the coupled cluster and internally contracted averaged coupled-pair functional levels of theory for the calculation of the MCH2(+) binding energies for M = Sc to Cu

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Partridge, Harry; Scuseria, Gustavo E.

1992-01-01

The correlation contribution to the M-C binding energy for the MCH2(+) systems can exceed 100 kcal/mol. At the self-consistent field (SCF) level, these systems can be more than 50 kcal/mol above the fragment energies. In spite of the poor zeroth-order reference, the coupled cluster single and double excitation method with a perturbational estimate of triple excitations, CCSD(T), method is shown to provide an accurate description of these systems. The maximum difference between the CCSD(T) and internally contracted averaged coupled-pair functional binding energies is 1.5 kcal/mol for CrCH2(+), with the remaining systems agreeing to within 1.0 kcal/mol.

Microwave-assisted wet digestion with H2O2 at high temperature and pressure using single reaction chamber for elemental determination in milk powder by ICP-OES and ICP-MS.

PubMed

Muller, Edson I; Souza, Juliana P; Muller, Cristiano C; Muller, Aline L H; Mello, Paola A; Bizzi, Cezar A

2016-08-15

In this work a green digestion method which only used H2O2 as an oxidant and high temperature and pressure in the single reaction chamber system (SRC-UltraWave™) was applied for subsequent elemental determination by inductively coupled plasma-based techniques. Milk powder was chosen to demonstrate the feasibility and advantages of the proposed method. Samples masses up to 500mg were efficiently digested, and the determination of Ca, Fe, K, Mg and Na was performed by inductively coupled plasma optical emission spectrometry (ICP-OES), while trace elements (B, Ba, Cd, Cu, Mn, Mo, Pb, Sr and Zn) were determined by inductively coupled plasma mass spectrometry (ICP-MS). Residual carbon (RC) lower than 918mgL(-1) of C was obtained for digests which contributed to minimizing interferences in determination by ICP-OES and ICP-MS. Accuracy was evaluated using certified reference materials NIST 1549 (non-fat milk powder certified reference material) and NIST 8435 (whole milk powder reference material). The results obtained by the proposed method were in agreement with the certified reference values (t-test, 95% confidence level). In addition, no significant difference was observed between results obtained by the proposed method and conventional wet digestion using concentrated HNO3. As digestion was performed without using any kind of acid, the characteristics of final digests were in agreement with green chemistry principles when compared to digests obtained using conventional wet digestion method with concentrated HNO3. Additionally, H2O2 digests were more suitable for subsequent analysis by ICP-based techniques due to of water being the main product of organic matrix oxidation. The proposed method was suitable for quality control of major components and trace elements present in milk powder in consonance with green sample preparation. Copyright © 2016 Elsevier B.V. All rights reserved.

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.

Value assignment and uncertainty evaluation for single-element reference solutions

NASA Astrophysics Data System (ADS)

Possolo, Antonio; Bodnar, Olha; Butler, Therese A.; Molloy, John L.; Winchester, Michael R.

2018-06-01

A Bayesian statistical procedure is proposed for value assignment and uncertainty evaluation for the mass fraction of the elemental analytes in single-element solutions distributed as NIST standard reference materials. The principal novelty that we describe is the use of information about relative differences observed historically between the measured values obtained via gravimetry and via high-performance inductively coupled plasma optical emission spectrometry, to quantify the uncertainty component attributable to between-method differences. This information is encapsulated in a prior probability distribution for the between-method uncertainty component, and it is then used, together with the information provided by current measurement data, to produce a probability distribution for the value of the measurand from which an estimate and evaluation of uncertainty are extracted using established statistical procedures.

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X˜ 1A1 and excited C˜ 1B2(21A') states of SO2

NASA Astrophysics Data System (ADS)

Kłos, Jacek; Alexander, Millard H.; Kumar, Praveen; Poirier, Bill; Jiang, Bin; Guo, Hua

2016-05-01

We report new and more accurate adiabatic potential energy surfaces (PESs) for the ground X˜ 1A1 and electronically excited C˜ 1B2(21A') states of the SO2 molecule. Ab initio points are calculated using the explicitly correlated internally contracted multi-reference configuration interaction (icMRCI-F12) method. A second less accurate PES for the ground X ˜ state is also calculated using an explicitly correlated single-reference coupled-cluster method with single, double, and non-iterative triple excitations [CCSD(T)-F12]. With these new three-dimensional PESs, we determine energies of the vibrational bound states and compare these values to existing literature data and experiment.

Device for monitoring cell voltage

DOEpatents

Doepke, Matthias [Garbsen, DE; Eisermann, Henning [Edermissen, DE

2012-08-21

A device for monitoring a rechargeable battery having a number of electrically connected cells includes at least one current interruption switch for interrupting current flowing through at least one associated cell and a plurality of monitoring units for detecting cell voltage. Each monitoring unit is associated with a single cell and includes a reference voltage unit for producing a defined reference threshold voltage and a voltage comparison unit for comparing the reference threshold voltage with a partial cell voltage of the associated cell. The reference voltage unit is electrically supplied from the cell voltage of the associated cell. The voltage comparison unit is coupled to the at least one current interruption switch for interrupting the current of at least the current flowing through the associated cell, with a defined minimum difference between the reference threshold voltage and the partial cell voltage.

Universal state-selective corrections to multireference coupled-cluster theories with single and double excitations

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

Brabec, Jiri; van Dam, Hubertus JJ; Pittner, Jiri

2012-03-28

The recently proposed Universal State-Selective (USS) corrections [K. Kowalski, J. Chem. Phys. 134, 194107 (2011)] to approximate Multi-Reference Coupled Cluster (MRCC) energies can be commonly applied to any type of MRCC theory based on the Jeziorski-Monkhorst [B. Jeziorski, H.J. Monkhorst, Phys. Rev. A 24, 1668 (1981)] exponential Ansatz. In this letter we report on the performance of a simple USS correction to the Brillouin-Wigner MRCC (BW-MRCC) formalism employing single and double excitations (BW-MRCCSD). It is shown that the resulting formalism (USS-BW-MRCCSD), which uses the manifold of single and double excitations to construct the correction, can be related to a posteriorimore » corrections utilized in routine BW-MRCCSD calculations. In several benchmark calculations we compare the results of the USS-BW-MRCCSD method with results of the BW-MRCCSD approach employing a posteriori corrections and with results obtained with the Full Configuration Interaction (FCI) method.« less

Why are we afraid to love?

PubMed

Tavormina, Romina

2014-11-01

The crisis of the couple in today's society, increases the number of singles and causes difficulty in creating stable and lasting relationships over time. The last two censuses of the Italian population show an increase in the number of singles, especially among the young generation. From this figure we have tried to understand the causes of this phenomenon both from the point of view of sociology and psychology. The sociologist Baumann considers the crisis of the couple and the increase in singles as a result of the crisis of modern society. The author says that we live in a fluid world where everything changes quickly and there is nothing stable and this also affects the couple. From a psychological point of view, reference has been made to all that psychoanalytic writers from Freud, have said about the crisis of the couple. It is clear that some subjects have difficulty maintaining stable and long-lasting relationships because they are suffering from philophobia (fear of love). We have tried to understand what the causes of different types of philophobia for both men and women are. It was found that the origins are created in the early childhood relationships with their parents. It 'was found that people who have had problems in their childhood relationships with their parents, because of their lack of love, tend to reproduce in adulthood the same dysfunctional relational model, learned in childhood.

Novel strategy to implement active-space coupled-cluster methods

NASA Astrophysics Data System (ADS)

Rolik, Zoltán; Kállay, Mihály

2018-03-01

A new approach is presented for the efficient implementation of coupled-cluster (CC) methods including higher excitations based on a molecular orbital space partitioned into active and inactive orbitals. In the new framework, the string representation of amplitudes and intermediates is used as long as it is beneficial, but the contractions are evaluated as matrix products. Using a new diagrammatic technique, the CC equations are represented in a compact form due to the string notations we introduced. As an application of these ideas, a new automated implementation of the single-reference-based multi-reference CC equations is presented for arbitrary excitation levels. The new program can be considered as an improvement over the previous implementations in many respects; e.g., diagram contributions are evaluated by efficient vectorized subroutines. Timings for test calculations for various complete active-space problems are presented. As an application of the new code, the weak interactions in the Be dimer were studied.

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.

Single Cell Multiplex Protein Measurements through Rare Earth Element Immunolabeling, Laser Capture Microdissection and Inductively Coupled Mass Spectrometry.

PubMed

Liba, Amir; Wanagat, Jonathan

2014-11-01

Complex diseases such as heart disease, stroke, cancer, and aging are the primary causes of death in the US. These diseases cause heterogeneous conditions among cells, conditions that cannot be measured in tissue homogenates and require single cell approaches. Understanding protein levels within tissues is currently assayed using various molecular biology techniques (e.g., Western blots) that rely on milligram to gram quantities of tissue homogenates or immunofluorescent (IF) techniques that are limited by spectral overlap. Tissue homogenate studies lack references to tissue structure and mask signals from individual or rare cellular events. Novel techniques are required to bring protein measurement sensitivity to the single cell level and offer spatiotemporal resolution and scalability. We are developing a novel approach to protein quantification by exploiting the inherently low concentration of rare earth elements (REE) in biological systems. By coupling REE-antibody immunolabeling of cells with laser capture microdissection (LCM) and ICP-QQQ, we are achieving multiplexed protein measurement in histological sections of single cells. This approach will add to evolving single cell techniques and our ability to understand cellular heterogeneity in complex biological systems and diseases.

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

Eriksen, Janus J., E-mail: janusje@chem.au.dk; Jørgensen, Poul; Matthews, Devin A.

The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of which augment the coupled cluster singles and doubles (CCSD) energy by a non-iterative correction for the effect of triple excitations. Namely, the second- through sixth-order models of the recently proposed CCSD(T–n) triples series [J. J. Eriksen et al., J. Chem. Phys. 140, 064108 (2014)] are compared to the acclaimed CCSD(T) model for both unrestricted as well as restricted open-shell Hartree-Fock (UHF/ROHF) reference determinants. By comparing UHF- and ROHF-based statistical results for a test setmore » of 18 modest-sized open-shell species with comparable RHF-based results, no behavioral differences are observed for the higher-order models of the CCSD(T–n) series in their correlated descriptions of closed- and open-shell species. In particular, we find that the convergence rate throughout the series towards the coupled cluster singles, doubles, and triples (CCSDT) solution is identical for the two cases. For the CCSD(T) model, on the other hand, not only its numerical consistency, but also its established, yet fortuitous cancellation of errors breaks down in the transition from closed- to open-shell systems. The higher-order CCSD(T–n) models (orders n > 3) thus offer a consistent and significant improvement in accuracy relative to CCSDT over the CCSD(T) model, equally for RHF, UHF, and ROHF reference determinants, albeit at an increased computational cost.« less

Direct handling of equality constraints in multilevel optimization

NASA Technical Reports Server (NTRS)

Renaud, John E.; Gabriele, Gary A.

1990-01-01

In recent years there have been several hierarchic multilevel optimization algorithms proposed and implemented in design studies. Equality constraints are often imposed between levels in these multilevel optimizations to maintain system and subsystem variable continuity. Equality constraints of this nature will be referred to as coupling equality constraints. In many implementation studies these coupling equality constraints have been handled indirectly. This indirect handling has been accomplished using the coupling equality constraints' explicit functional relations to eliminate design variables (generally at the subsystem level), with the resulting optimization taking place in a reduced design space. In one multilevel optimization study where the coupling equality constraints were handled directly, the researchers encountered numerical difficulties which prevented their multilevel optimization from reaching the same minimum found in conventional single level solutions. The researchers did not explain the exact nature of the numerical difficulties other than to associate them with the direct handling of the coupling equality constraints. The coupling equality constraints are handled directly, by employing the Generalized Reduced Gradient (GRG) method as the optimizer within a multilevel linear decomposition scheme based on the Sobieski hierarchic algorithm. Two engineering design examples are solved using this approach. The results show that the direct handling of coupling equality constraints in a multilevel optimization does not introduce any problems when the GRG method is employed as the internal optimizer. The optimums achieved are comparable to those achieved in single level solutions and in multilevel studies where the equality constraints have been handled indirectly.

Improving the performance of the mass transfer-based reference evapotranspiration estimation approaches through a coupled wavelet-random forest methodology

NASA Astrophysics Data System (ADS)

Shiri, Jalal

2018-06-01

Among different reference evapotranspiration (ETo) modeling approaches, mass transfer-based methods have been less studied. These approaches utilize temperature and wind speed records. On the other hand, the empirical equations proposed in this context generally produce weak simulations, except when a local calibration is used for improving their performance. This might be a crucial drawback for those equations in case of local data scarcity for calibration procedure. So, application of heuristic methods can be considered as a substitute for improving the performance accuracy of the mass transfer-based approaches. However, given that the wind speed records have usually higher variation magnitudes than the other meteorological parameters, application of a wavelet transform for coupling with heuristic models would be necessary. In the present paper, a coupled wavelet-random forest (WRF) methodology was proposed for the first time to improve the performance accuracy of the mass transfer-based ETo estimation approaches using cross-validation data management scenarios in both local and cross-station scales. The obtained results revealed that the new coupled WRF model (with the minimum scatter index values of 0.150 and 0.192 for local and external applications, respectively) improved the performance accuracy of the single RF models as well as the empirical equations to great extent.

The Numerical Simulation of Coupling Behavior of Soil with Chemical Pollutant Effects

NASA Astrophysics Data System (ADS)

Liu, Z. J.; Li, X. K.; Tang, L. Q.

2010-05-01

The coupling behavior of clay plays a role in the integrity of clay barriers used in landfills. The clay barriers are subjected to mechanical and thermal effects coupled with hydraulic behavior, also, if the leachates become in contact with the clay liner, chemical effects may lead to some drastic changes in the properties of the clay. A numerical method to simulate the coupling behavior of soil with chemical pollutant effects is presented. Within the framework of Gens-Alonso model describing the constitutive behavior of unsaturated clay presented in reference[1], basing on the work of Wu[2] and Hueckel[3], a constitutive model describing the chemo-thermo-hydro-mechanical(CTHM) coupling behavior of clays in contact with a single organic contaminant is presented. The thermical softening and chemical softening is considered in the presented model. The strain arising in the material due to chemical and thermical effects can be decomposed into two parts: elastic expansion and plastic compaction. The chemical effects are described in terms of the mass concentration of the contaminant. The increases in temperature and contaminant concentration cause decreases of the pre-consolidation pressure and the cohesion. The mechanisms are called thermical softening and chemical softening. The presented coupled CTHM constitutive model has been integrated into the coupled thermo-hydro-mechanical mathematical model including contaminant transport in porous media. To solve the equilibrium equations, the grogram of finite element methods is developed with a stagger algorithm. The mechanisms taking place due to the coupling behaviour of the clay with a single contaminant solute are analysed with the presented numerical method.

Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scattering

DOE PAGES

White, Alec F.; Epifanovsky, Evgeny; McCurdy, C. William; ...

2017-06-21

The method of complex basis functions is applied to molecular resonances at correlated levels of theory. Møller-Plesset perturbation theory at second order and equation-of-motion electron attachment coupled-cluster singles and doubles (EOM-EA-CCSD) methods based on a non-Hermitian self-consistent-field reference are used to compute accurate Siegert energies for shape resonances in small molecules including N 2 - , CO - , CO 2 - , and CH 2 O - . Analytic continuation of complex θ-trajectories is used to compute Siegert energies, and the θ-trajectories of energy differences are found to yield more consistent results than those of total energies.more » Furthermore, the ability of such methods to accurately compute complex potential energy surfaces is investigated, and the possibility of using EOM-EA-CCSD for Feshbach resonances is explored in the context of e-helium scattering.« less

Correlation of magnetoelectric coupling in multiferroic BaTiO{sub 3}-BiFeO{sub 3} superlattices with oxygen vacancies and antiphase octahedral rotations

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

Lorenz, Michael, E-mail: mlorenz@physik.uni-leipzig.de; Schwinkendorf, Peter; Grundmann, Marius

2015-01-05

Multiferroic (BaTiO{sub 3}-BiFeO{sub 3}) × 15 multilayer heterostructures show high magnetoelectric (ME) coefficients α{sub ME} up to 24 V/cm·Oe at 300 K. This value is much higher than that of a single-phase BiFeO{sub 3} reference film (α{sub ME} = 4.2 V/cm·Oe). We found clear correlation of ME coefficients with increasing oxygen partial pressure during growth. ME coupling is highest for lower density of oxygen vacancy-related defects. Detailed scanning transmission electron microscopy and selected area electron diffraction microstructural investigations at 300 K revealed antiphase rotations of the oxygen octahedra in the BaTiO{sub 3} single layers, which are an additional correlated defect structure of the multilayers.

Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scattering

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

White, Alec F.; Epifanovsky, Evgeny; McCurdy, C. William

The method of complex basis functions is applied to molecular resonances at correlated levels of theory. Møller-Plesset perturbation theory at second order and equation-of-motion electron attachment coupled-cluster singles and doubles (EOM-EA-CCSD) methods based on a non-Hermitian self-consistent-field reference are used to compute accurate Siegert energies for shape resonances in small molecules including N 2 - , CO - , CO 2 - , and CH 2 O - . Analytic continuation of complex θ-trajectories is used to compute Siegert energies, and the θ-trajectories of energy differences are found to yield more consistent results than those of total energies.more » Furthermore, the ability of such methods to accurately compute complex potential energy surfaces is investigated, and the possibility of using EOM-EA-CCSD for Feshbach resonances is explored in the context of e-helium scattering.« less

Therapeutically induced changes in couple identity: the role of we-ness and interpersonal processing in relationship satisfaction.

PubMed

Reid, David W; Dalton, E Jane; Laderoute, Kristine; Doell, Faye K; Nguyen, Thao

2006-08-01

Changes in partners' sense of self-in-relationship, which a systemic-constructivist couple therapy (SCCT) induced, led to robust improvement in satisfaction in 2 studies and a follow-up study. In each study, 13 referred couples completed measures of satisfaction, mutuality, similarities, and other-in-self construal pre-post 12 hours of SCCT. The authors reliably coded transcripts of 1st and final sessions for each partner's we-ness, the identity that each partner establishes in relationship to the other. Having met the criteria for the rigorous study of change in single group process-outcome design, changes in we-ness accompanied large posttherapy dyadic increments on all variables in each study. Therapeutic gains appeared at follow-up and correlated with increased we-ness obtained at end of therapy 2 years earlier. The authors raise theoretical implications for all types of couple therapies and explain clinical techniques.

Self-calibrating threshold detector

NASA Technical Reports Server (NTRS)

Barnes, J. R.; Huang, M. Y. (Inventor)

1980-01-01

A self calibrating threshold detector comprises a single demodulating channel which includes a mixer having one input receiving the incoming signal and another input receiving a local replica code. During a short time interval, an incorrect local code is applied to the mixer to incorrectly demodulate the incoming signal and to provide a reference level that calibrates the noise propagating through the channel. A sample and hold circuit is coupled to the channel for storing a sample of the reference level. During a relatively long time interval, the correct replica code provides an output level which ranges between the reference level and a maximum level that represents incoming signal presence and synchronism with the replica code. A summer substracts the stored sample reference from the output level to provide a resultant difference signal indicative of the acquisition of the expected signal.

Ordering of the O-O stretching vibrational frequencies in ozone

NASA Technical Reports Server (NTRS)

Scuseria, Gustavo E.; Lee, Timothy J.; Scheiner, Andrew C.; Schaefer, Henry F., III

1989-01-01

The ordering of nu1 and nu3 for O3 is incorrectly predicted by most theoretical methods, including some very high level methods. The first systematic electron correlation method based on one-reference configuration to solve this problem is the coupled cluster single and double excitation method. However, a relatively large basis set, triple zeta plus double polarization is required. Comparison with other theoretical methods is made.

Benchmark of Dynamic Electron Correlation Models for Seniority-Zero Wave Functions and Their Application to Thermochemistry.

PubMed

Boguslawski, Katharina; Tecmer, Paweł

2017-12-12

Wave functions restricted to electron-pair states are promising models to describe static/nondynamic electron correlation effects encountered, for instance, in bond-dissociation processes and transition-metal and actinide chemistry. To reach spectroscopic accuracy, however, the missing dynamic electron correlation effects that cannot be described by electron-pair states need to be included a posteriori. In this Article, we extend the previously presented perturbation theory models with an Antisymmetric Product of 1-reference orbital Geminal (AP1roG) reference function that allows us to describe both static/nondynamic and dynamic electron correlation effects. Specifically, our perturbation theory models combine a diagonal and off-diagonal zero-order Hamiltonian, a single-reference and multireference dual state, and different excitation operators used to construct the projection manifold. We benchmark all proposed models as well as an a posteriori Linearized Coupled Cluster correction on top of AP1roG against CR-CC(2,3) reference data for reaction energies of several closed-shell molecules that are extrapolated to the basis set limit. Moreover, we test the performance of our new methods for multiple bond breaking processes in the homonuclear N 2 , C 2 , and F 2 dimers as well as the heteronuclear BN, CO, and CN + dimers against MRCI-SD, MRCI-SD+Q, and CR-CC(2,3) reference data. Our numerical results indicate that the best performance is obtained from a Linearized Coupled Cluster correction as well as second-order perturbation theory corrections employing a diagonal and off-diagonal zero-order Hamiltonian and a single-determinant dual state. These dynamic corrections on top of AP1roG provide substantial improvements for binding energies and spectroscopic properties obtained with the AP1roG approach, while allowing us to approach chemical accuracy for reaction energies involving closed-shell species.

Direct-to-digital holography and holovision

DOEpatents

Thomas, Clarence E.; Baylor, Larry R.; Hanson, Gregory R.; Rasmussen, David A.; Voelkl, Edgar; Castracane, James; Simkulet, Michelle; Clow, Lawrence

2000-01-01

Systems and methods for direct-to-digital holography are described. An apparatus includes a laser; a beamsplitter optically coupled to the laser; a reference beam mirror optically coupled to the beamsplitter; an object optically coupled to the beamsplitter, a focusing lens optically coupled to both the reference beam mirror and the object; and a digital recorder optically coupled to the focusing lens. A reference beam is incident upon the reference beam mirror at a non-normal angle, and the reference beam and an object beam are focused by the focusing lens at a focal plane of the digital recorder to form an image. The systems and methods provide advantages in that computer assisted holographic measurements can be made.

Virtual mask digital electron beam lithography

DOEpatents

Baylor, L.R.; Thomas, C.E.; Voelkl, E.; Moore, J.A.; Simpson, M.L.; Paulus, M.J.

1999-04-06

Systems and methods for direct-to-digital holography are described. An apparatus includes a laser; a beamsplitter optically coupled to the laser; a reference beam mirror optically coupled to the beamsplitter; an object optically coupled to the beamsplitter, a focusing lens optically coupled to both the reference beam mirror and the object; and a digital recorder optically coupled to the focusing lens. A reference beam is incident upon the reference beam mirror at a non-normal angle, and the reference beam and an object beam are focused by the focusing lens at a focal plane of the digital recorder to form an image. The systems and methods provide advantages in that computer assisted holographic measurements can be made. 5 figs.

Virtual mask digital electron beam lithography

DOEpatents

Baylor, Larry R.; Thomas, Clarence E.; Voelkl, Edgar; Moore, James A.; Simpson, Michael L.; Paulus, Michael J.

1999-01-01

Systems and methods for direct-to-digital holography are described. An apparatus includes a laser; a beamsplitter optically coupled to the laser; a reference beam mirror optically coupled to the beamsplitter; an object optically coupled to the beamsplitter, a focusing lens optically coupled to both the reference beam mirror and the object; and a digital recorder optically coupled to the focusing lens. A reference beam is incident upon the reference beam mirror at a non-normal angle, and the reference beam and an object beam are focused by the focusing lens at a focal plane of the digital recorder to form an image. The systems and methods provide advantages in that computer assisted holographic measurements can be made.

Optical microscope using an interferometric source of two-color, two-beam entangled photons

DOEpatents

Dress, William B.; Kisner, Roger A.; Richards, Roger K.

2004-07-13

Systems and methods are described for an optical microscope using an interferometric source of multi-color, multi-beam entangled photons. A method includes: downconverting a beam of coherent energy to provide a beam of multi-color entangled photons; converging two spatially resolved portions of the beam of multi-color entangled photons into a converged multi-color entangled photon beam; transforming at least a portion of the converged multi-color entangled photon beam by interaction with a sample to generate an entangled photon specimen beam; and combining the entangled photon specimen beam with an entangled photon reference beam within a single beamsplitter. An apparatus includes: a multi-refringent device providing a beam of multi-color entangled photons; a condenser device optically coupled to the multi-refringent device, the condenser device converging two spatially resolved portions of the beam of multi-color entangled photons into a converged multi-color entangled photon beam; a beam probe director and specimen assembly optically coupled to the condenser device; and a beam splitter optically coupled to the beam probe director and specimen assembly, the beam splitter combining an entangled photon specimen beam from the beam probe director and specimen assembly with an entangled photon reference beam.

Electrocatalytic cermet gas detector/sensor

DOEpatents

Vogt, Michael C.; Shoemarker, Erika L.; Fraioli, deceased, Anthony V.

1995-01-01

An electrocatalytic device for sensing gases. The gas sensing device includes a substrate layer, a reference electrode disposed on the substrate layer comprised of a nonstoichiometric chemical compound enabling oxygen diffusion therethrough, a lower reference electrode coupled to the reference electrode, a solid electrolyte coupled to the lower reference electrode and an upper catalytically active electrode coupled to the solid electrolyte.

RANS Simulation (Rotating Reference Frame Model [RRF]) of Single Lab-Scaled DOE RM1 MHK Turbine

DOE Data Explorer

Javaherchi, Teymour; Stelzenmuller, Nick; Aliseda, Alberto; Seydel, Joseph

2014-04-15

Attached are the .cas and .dat files for the Reynolds Averaged Navier-Stokes (RANS) simulation of a single lab-scaled DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. The lab-scaled DOE RM1 is a re-design geometry, based of the full scale DOE RM1 design, producing same power output as the full scale model, while operating at matched Tip Speed Ratio values at reachable laboratory Reynolds number (see attached paper). In this case study taking advantage of the symmetry of lab-scaled DOE RM1 geometry, only half of the geometry is models using (Single) Rotating Reference Frame model [RRF]. In this model RANS equations, coupled with k-\\omega turbulence closure model, are solved in the rotating reference frame. The actual geometry of the turbine blade is included and the turbulent boundary layer along the blade span is simulated using wall-function approach. The rotation of the blade is modeled by applying periodic boundary condition to sets of plane of symmetry. This case study simulates the performance and flow field in the near and far wake of the device at the desired operating conditions. The results of these simulations were validated against in-house experimental data. Please see the attached paper.

Reaction monitoring using hyperpolarized NMR with scaling of heteronuclear couplings by optimal tracking

NASA Astrophysics Data System (ADS)

Zhang, Guannan; Schilling, Franz; Glaser, Steffen J.; Hilty, Christian

2016-11-01

Off-resonance decoupling using the method of Scaling of Heteronuclear Couplings by Optimal Tracking (SHOT) enables determination of heteronuclear correlations of chemical shifts in single scan NMR spectra. Through modulation of J-coupling evolution by shaped radio frequency pulses, off resonance decoupling using SHOT pulses causes a user-defined dependence of the observed J-splitting, such as the splitting of 13C peaks, on the chemical shift offset of coupled nuclei, such as 1H. Because a decoupling experiment requires only a single scan, this method is suitable for characterizing on-going chemical reactions using hyperpolarization by dissolution dynamic nuclear polarization (D-DNP). We demonstrate the calculation of [13C, 1H] chemical shift correlations of the carbanionic active sites from hyperpolarized styrene polymerized using sodium naphthalene as an initiator. While off resonance decoupling by SHOT pulses does not enhance the resolution in the same way as a 2D NMR spectrum would, the ability to obtain the correlations in single scans makes this method ideal for determination of chemical shifts in on-going reactions on the second time scale. In addition, we present a novel SHOT pulse that allows to scale J-splittings 50% larger than the respective J-coupling constant. This feature can be used to enhance the resolution of the indirectly detected chemical shift and reduce peak overlap, as demonstrated in a model reaction between p-anisaldehyde and isobutylamine. For both pulses, the accuracy is evaluated under changing signal-to-noise ratios (SNR) of the peaks from reactants and reaction products, with an overall standard deviation of chemical shift differences compared to reference spectra of 0.02 ppm when measured on a 400 MHz NMR spectrometer. Notably, the appearance of decoupling side-bands, which scale with peak intensity, appears to be of secondary importance.

Characterizing polymorphic inversions in human genomes by single-cell sequencing

PubMed Central

Sanders, Ashley D.; Hills, Mark; Porubský, David; Guryev, Victor; Falconer, Ester; Lansdorp, Peter M.

2016-01-01

Identifying genomic features that differ between individuals and cells can help uncover the functional variants that drive phenotypes and disease susceptibilities. For this, single-cell studies are paramount, as it becomes increasingly clear that the contribution of rare but functional cellular subpopulations is important for disease prognosis, management, and progression. Until now, studying these associations has been challenged by our inability to map structural rearrangements accurately and comprehensively. To overcome this, we coupled single-cell sequencing of DNA template strands (Strand-seq) with custom analysis software to rapidly discover, map, and genotype genomic rearrangements at high resolution. This allowed us to explore the distribution and frequency of inversions in a heterogeneous cell population, identify several polymorphic domains in complex regions of the genome, and locate rare alleles in the reference assembly. We then mapped the entire genomic complement of inversions within two unrelated individuals to characterize their distinct inversion profiles and built a nonredundant global reference of structural rearrangements in the human genome. The work described here provides a powerful new framework to study structural variation and genomic heterogeneity in single-cell samples, whether from individuals for population studies or tissue types for biomarker discovery. PMID:27472961

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.

Ab initio multireference study of the BN molecule

NASA Technical Reports Server (NTRS)

Martin, J. M. L.; Lee, Timothy J.; Scuseria, Gustavo E.; Taylor, Peter R.

1992-01-01

The lowest 1Sigma(+) and 3Pi states of the BN molecule are studied using multireference configuration interaction (MRCI) and averaged coupled-pair functional (ACPF) methods and large atomic natural orbital (ANO) basis sets, as well as several coupled cluster methods. Our calculations strongly support a 3Pi ground state, but the a1Sigma(+) state lies only 381 +/- 100/cm higher. The a1Sigma(+) state wave function exhibits strong multireference character and, consequently, the predictions of the perturbationally-based single-reference CCSD(T) coupled cluster method are not as reliable in this case as the multireference results. The theoretical predictions for the spectroscopic constants of BN are in good agreement with experiment for the Chi3Pi state, but strongly suggest a misassignment of the fundamental vibrational frequency for the a1Sigma(+) state.

Electrocatalytic cermet gas detector/sensor

DOEpatents

Vogt, M.C.; Shoemarker, E.L.; Fraioli, A.V.

1995-07-04

An electrocatalytic device for sensing gases is described. The gas sensing device includes a substrate layer, a reference electrode disposed on the substrate layer comprised of a nonstoichiometric chemical compound enabling oxygen diffusion therethrough, a lower reference electrode coupled to the reference electrode, a solid electrolyte coupled to the lower reference electrode and an upper catalytically active electrode coupled to the solid electrolyte. 41 figs.

Pulse advancement and delay in an integrated-optical two-port ring-resonator circuit: direct experimental observations.

PubMed

Uranus, H P; Zhuang, L; Roeloffzen, C G H; Hoekstra, H J W M

2007-09-01

We report experimental observations of the negative-group-velocity (v(g)) phenomenon in an integrated-optical two-port ring-resonator circuit. We demonstrate that when the v(g) is negative, the (main) peak of output pulse appears earlier than the peak of a reference pulse, while for a positive v(g), the situation is the other way around. We observed that a pulse splitting phenomenon occurs in the neighborhood of the critical-coupling point. This pulse splitting limits the maximum achievable delay and advancement of a single device as well as facilitating a smooth transition from highly advanced to highly delayed pulse, and vice versa, across the critical-coupling point.

First Point-Spread Function and X-Ray Phase Contrast Imaging Results with an 88-mm Diameter Single Crystal

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

Lumpkin, A. H.; Garson, A. B.; Anastasio, M. A.

In this study, we report initial demonstrations of the use of single crystals in indirect x-ray imaging with a benchtop implementation of propagation-based (PB) x-ray phase contrast imaging. Based on single Gaussian peak fits to the x-ray images, we observed a four times smaller system point-spread function (PSF) with the 50-μm thick single crystal scintillators than with the reference polycrystalline phosphor/scintillator. Fiber-optic plate depth-of-focus and Al reflective-coating aspects are also elucidated. Guided by the results from the 25-mm diameter crystal samples, we report additionally the first results with a unique 88-mm diameter single crystal bonded to a fiber optic platemore » and coupled to the large format CCD. Both PSF and x-ray phase contrast imaging data are quantified and presented.« less

Equation-of-motion coupled-cluster method for ionised states with spin-orbit coupling using open-shell reference wavefunction

NASA Astrophysics Data System (ADS)

Wang, Zhifan; Wang, Fan

2018-04-01

The equation-of-motion coupled-cluster method for ionised states at the singles and doubles level (EOM-IP-CCSD) with spin-orbit coupling (SOC) included in post-Hartree-Fock (HF) steps is extended to spatially non-degenerate open-shell systems such as high spin states of s1, p3, σ1 or π2 configuration in this work. Pseudopotentials are employed to treat relativistic effects and spin-unrestricted scalar relativistic HF determinant is adopted as reference in calculations. Symmetry is not exploited in the implementation since both time-reversal and spatial symmetry is broken due to SOC. IPs with the EOM-IP-CCSD approach are those from the 3Σ1- states for high spin state of π2 configuration, while the ground state is the 3Σ0- state. When removing an electron from the high spin state of p3 configuration, only the 3P2 state can be reached. The open-shell EOM-IP-CCSD approach with SOC was employed in calculating IPs of some open-shell atoms with s1 configuration, diatomic molecules with π2 configuration and SOC splitting of the ionised π1 state, as well as IPs of VA atoms with p3 configuration. Our results demonstrate that this approach can be applied to ionised states of spatially non-degenerate open-shell states containing heavy elements with reasonable accuracy.

A simple method using on-line continuous leaching and ion exchange chromatography coupled to inductively coupled plasma mass spectrometry for the speciation analysis of bio-accessible arsenic in rice.

PubMed

Horner, Nolan S; Beauchemin, Diane

2012-03-02

A simple method for the speciation analysis of bio-accessible arsenic (As) in rice was developed using a continuous on-line leaching method to release the bio-accessible fraction. The continuous on-line leaching method has several advantages over commonly used batch methods including quicker and easier sample preparation, reduced risk of contamination and access to real time leaching data. The bio-accessibility of As in the samples was monitored using inductively coupled plasma mass spectrometry (ICP-MS). Results from a certified reference material as well as cooked and uncooked white rice showed that the majority of As was leached by saliva. Results obtained using the continuous on-line leaching method were comparable to those obtained using a batch method. Speciation analysis of the saliva leachate was performed using ion exchange chromatography coupled to ICP-MS. The four most toxic forms of As (As(III), monomethylarsonic acid (MMA), dimethylarsinic acid (DMA) and As(V)) were clearly separated within 5 min in a single chromatographic run. Over 92% of bio-accessible As in the certified reference material and uncooked white rice sample was in the form of DMA and As(V), whereas it was present as DMA and As(III) in the cooked white rice. Copyright © 2011 Elsevier B.V. All rights reserved.

Polarization entangled photons from quantum dots embedded in nanowires.

PubMed

Huber, Tobias; Predojević, Ana; Khoshnegar, Milad; Dalacu, Dan; Poole, Philip J; Majedi, Hamed; Weihs, Gregor

2014-12-10

In this Letter, we present entanglement generated from a novel structure: a single InAsP quantum dot embedded in an InP nanowire. These structures can grow in a site-controlled way and exhibit high collection efficiency; we detect 0.5 million biexciton counts per second coupled into a single mode fiber with a standard commercial avalanche photo diode. If we correct for the known setup losses and detector efficiency, we get an extraction efficiency of 15(3) %. For the measured polarization entanglement, we observe a fidelity of 0.76(2) to a reference maximally entangled state as well as a concurrence of 0.57(6).

Comparison of originator and biosimilar therapeutic monoclonal antibodies using comprehensive two-dimensional liquid chromatography coupled with time-of-flight mass spectrometry.

PubMed

Sorensen, Matthew; Harmes, David C; Stoll, Dwight R; Staples, Gregory O; Fekete, Szabolcs; Guillarme, Davy; Beck, Alain

2016-10-01

As research, development, and manufacturing of biosimilar protein therapeutics proliferates, there is great interest in the continued development of a portfolio of complementary analytical methods that can be used to efficiently and effectively characterize biosimilar candidate materials relative to the respective reference (i.e., originator) molecule. Liquid phase separation techniques such as liquid chromatography and capillary electrophoresis are powerful tools that can provide both qualitative and quantitative information about similarities and differences between reference and biosimilar materials, especially when coupled with mass spectrometry. However, the inherent complexity of these protein materials challenges even the most modern one-dimensional (1D) separation methods. Two-dimensional (2D) separations present a number of potential advantages over 1D methods, including increased peak capacity, 2D peak patterns that can facilitate unknown identification, and improvement in the compatibility of some separation methods with mass spectrometry. In this study, we demonstrate the use of comprehensive 2D-LC separations involving cation-exchange (CEX) and reversed-phase (RP) separations in the first and second dimensions to compare 3 reference/biosimilar pairs of monoclonal antibodies (cetuximab, trastuzumab and infliximab) that cover a range of similarity/disimilarity in a middle-up approach. The second dimension RP separations are coupled to time-of-flight mass spectrometry, which enables direct identification of features in the chromatograms obtained from mAbs digested with the IdeS enzyme, or digestion with IdeS followed by reduction with dithiothreitol. As many as 23 chemically unique mAb fragments were detected in a single sample. Our results demonstrate that these rich datasets enable facile assesment of the degree of similarity between reference and biosimilar materials.

Double-driven shield capacitive type proximity sensor

NASA Technical Reports Server (NTRS)

Vranish, John M. (Inventor)

1993-01-01

A capacity type proximity sensor comprised of a capacitance type sensor, a capacitance type reference, and two independent and mutually opposing driven shields respectively adjacent to the sensor and reference and which are coupled in an electrical bridge circuit configuration and driven by a single frequency crystal controlled oscillator is presented. The bridge circuit additionally includes a pair of fixed electrical impedance elements which form adjacent arms of the bridge and which comprise either a pair of precision resistances or capacitors. Detection of bridge unbalance provides an indication of the mutual proximity between an object and the sensor. Drift compensation is also utilized to improve performance and thus increase sensor range and sensitivity.

Search for Invisible Decays of a Dark Photon Produced in e^{+}e^{-} Collisions at BaBar.

PubMed

Lees, J P; Poireau, V; Tisserand, V; Grauges, E; Palano, A; Eigen, G; Brown, D N; Derdzinski, M; Giuffrida, A; Kolomensky, Yu G; Fritsch, M; Koch, H; Schroeder, T; Hearty, C; Mattison, T S; McKenna, J A; So, R Y; Blinov, V E; Buzykaev, A R; Druzhinin, V P; Golubev, V B; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Lankford, A J; Gary, J W; Long, O; Eisner, A M; Lockman, W S; Panduro Vazquez, W; Chao, D S; Cheng, C H; Echenard, B; Flood, K T; Hitlin, D G; Kim, J; Miyashita, T S; Ongmongkolkul, P; Porter, F C; Röhrken, M; Huard, Z; Meadows, B T; Pushpawela, B G; Sokoloff, M D; Sun, L; Smith, J G; Wagner, S R; Bernard, D; Verderi, M; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Fioravanti, E; Garzia, I; Luppi, E; Santoro, V; Calcaterra, A; de Sangro, R; Finocchiaro, G; Martellotti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rotondo, M; Zallo, A; Passaggio, S; Patrignani, C; Lacker, H M; Bhuyan, B; Mallik, U; Chen, C; Cochran, J; Prell, S; Ahmed, H; Gritsan, A V; Arnaud, N; Davier, M; Le Diberder, F; Lutz, A M; Wormser, G; Lange, D J; Wright, D M; Coleman, J P; Gabathuler, E; Hutchcroft, D E; Payne, D J; Touramanis, C; Bevan, A J; Di Lodovico, F; Sacco, R; Cowan, G; Banerjee, Sw; Brown, D N; Davis, C L; Denig, A G; Gradl, W; Griessinger, K; Hafner, A; Schubert, K R; Barlow, R J; Lafferty, G D; Cenci, R; Jawahery, A; Roberts, D A; Cowan, R; Robertson, S H; Dey, B; Neri, N; Palombo, F; Cheaib, R; Cremaldi, L; Godang, R; Summers, D J; Taras, P; De Nardo, G; Sciacca, C; Raven, G; Jessop, C P; LoSecco, J M; Honscheid, K; Kass, R; Gaz, A; Margoni, M; Posocco, M; Simi, G; Simonetto, F; Stroili, R; Akar, S; Ben-Haim, E; Bomben, M; Bonneaud, G R; Calderini, G; Chauveau, J; Marchiori, G; Ocariz, J; Biasini, M; Manoni, E; Rossi, A; Batignani, G; Bettarini, S; Carpinelli, M; Casarosa, G; Chrzaszcz, M; Forti, F; Giorgi, M A; Lusiani, A; Oberhof, B; Paoloni, E; Rama, M; Rizzo, G; Walsh, J J; Smith, A J S; Anulli, F; Faccini, R; Ferrarotto, F; Ferroni, F; Pilloni, A; Piredda, G; Bünger, C; Dittrich, S; Grünberg, O; Heß, M; Leddig, T; Voß, C; Waldi, R; Adye, T; Wilson, F F; Emery, S; Vasseur, G; Aston, D; Cartaro, C; Convery, M R; Dorfan, J; Dunwoodie, W; Ebert, M; Field, R C; Fulsom, B G; Graham, M T; Hast, C; Innes, W R; Kim, P; Leith, D W G S; Luitz, S; MacFarlane, D B; Muller, D R; Neal, H; Ratcliff, B N; Roodman, A; Sullivan, M K; Va'vra, J; Wisniewski, W J; Purohit, M V; Wilson, J R; Randle-Conde, A; Sekula, S J; Bellis, M; Burchat, P R; Puccio, E M T; Alam, M S; Ernst, J A; Gorodeisky, R; Guttman, N; Peimer, D R; Soffer, A; Spanier, S M; Ritchie, J L; Schwitters, R F; Izen, J M; Lou, X C; Bianchi, F; De Mori, F; Filippi, A; Gamba, D; Lanceri, L; Vitale, L; Martinez-Vidal, F; Oyanguren, A; Albert, J; Beaulieu, A; Bernlochner, F U; King, G J; Kowalewski, R; Lueck, T; Nugent, I M; Roney, J M; Sobie, R J; Tasneem, N; Gershon, T J; Harrison, P F; Latham, T E; Prepost, R; Wu, S L

2017-09-29

We search for single-photon events in 53  fb^{-1} of e^{+}e^{-} collision data collected with the BABAR detector at the PEP-II B-Factory. We look for events with a single high-energy photon and a large missing momentum and energy, consistent with production of a spin-1 particle A^{'} through the process e^{+}e^{-}→γA^{'}; A^{'}→invisible. Such particles, referred to as "dark photons," are motivated by theories applying a U(1) gauge symmetry to dark matter. We find no evidence for such processes and set 90% confidence level upper limits on the coupling strength of A^{'} to e^{+}e^{-} in the mass range m_{A^{'}}≤8  GeV. In particular, our limits exclude the values of the A^{'} coupling suggested by the dark-photon interpretation of the muon (g-2)_{μ} anomaly, as well as a broad range of parameters for the dark-sector models.

Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions

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

Azar, Richard Julian, E-mail: julianazar2323@berkeley.edu; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu

2015-05-28

Your correspondents develop and apply fully nonorthogonal, local-reference perturbation theories describing non-covalent interactions. Our formulations are based on a Löwdin partitioning of the similarity-transformed Hamiltonian into a zeroth-order intramonomer piece (taking local CCSD solutions as its zeroth-order eigenfunction) plus a first-order piece coupling the fragments. If considerations are limited to a single molecule, the proposed intermolecular similarity-transformed perturbation theory represents a frozen-orbital variant of the “(2)”-type theories shown to be competitive with CCSD(T) and of similar cost if all terms are retained. Different restrictions on the zeroth- and first-order amplitudes are explored in the context of large-computation tractability and elucidationmore » of non-local effects in the space of singles and doubles. To accurately approximate CCSD intermolecular interaction energies, a quadratically growing number of variables must be included at zeroth-order.« less

Large object investigation by digital holography with effective spectrum multiplexing under single-exposure approach

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

Liu, Ning, E-mail: coolboy006@sohu.com; Zhang, Yingying; Xie, Jun

2014-10-13

We present a method to investigate large object by digital holography with effective spectrum multiplexing under single-exposure approach. This method splits the original reference beam and redirects one of its branches as a second object beam. Through the modified Mach-Zehnder interferometer, the two object beams can illuminate different parts of the large object and create a spectrum multiplexed hologram onto the focal plane array of the charge-coupled device/complementary metal oxide semiconductor camera. After correct spectrum extraction and image reconstruction, the large object can be fully observed within only one single snap-shot. The flexibility and great performance make our method amore » very attractive and promising technique for large object investigation under common 632.8 nm illumination.« less

Basin stability measure of different steady states in coupled oscillators

NASA Astrophysics Data System (ADS)

Rakshit, Sarbendu; Bera, Bidesh K.; Majhi, Soumen; Hens, Chittaranjan; Ghosh, Dibakar

2017-04-01

In this report, we investigate the stabilization of saddle fixed points in coupled oscillators where individual oscillators exhibit the saddle fixed points. The coupled oscillators may have two structurally different types of suppressed states, namely amplitude death and oscillation death. The stabilization of saddle equilibrium point refers to the amplitude death state where oscillations are ceased and all the oscillators converge to the single stable steady state via inverse pitchfork bifurcation. Due to multistability features of oscillation death states, linear stability theory fails to analyze the stability of such states analytically, so we quantify all the states by basin stability measurement which is an universal nonlocal nonlinear concept and it interplays with the volume of basins of attractions. We also observe multi-clustered oscillation death states in a random network and measure them using basin stability framework. To explore such phenomena we choose a network of coupled Duffing-Holmes and Lorenz oscillators which are interacting through mean-field coupling. We investigate how basin stability for different steady states depends on mean-field density and coupling strength. We also analytically derive stability conditions for different steady states and confirm by rigorous bifurcation analysis.

Ab initio coupled-cluster and multi-reference configuration interaction studies of the low-lying electronic states of 1,2,3,4-cyclobutanetetraone

DOE PAGES

Hansen, Jared A.; Bauman, Nicholas P.; Shen, Jun; ...

2015-12-09

In this paper, the four, closely spaced, lowest energy electronic states of the challenging, D 4h-symmetric, 1,2,3,4-cyclobutanetetraone (C 4O 4) molecule have been investigated using high-level ab initio methods. The calculated states include the closed-shell singlet 8π( 1A 1g) state, the singlet 10π( 1A 1g) state, in which the π-type lowest unoccupied molecular orbital (LUMO) of the 8π( 1A 1g) reference is doubly occupied and the σ-type highest occupied molecular orbital (HOMO) is empty, and the open-shell singlet and triplet states, designated as 9π( 1B 2u) and 9π( 3B 2u), respectively, originating from single occupancy of the HOMO and LUMO.more » Our focus is on single-reference coupled-cluster (CC) approaches capable of handling electronic near-degeneracies in diradicals, especially the completely renormalised CR-CC(2,3) and active-space CCSDt methods, along with their CCSD and EOMCCSD counterparts. The internally contracted multi-reference configuration interaction calculations with a quasi-degenerate Davidson correction are performed as well. Our computations demonstrate that the state ordering is 9π( 3B 2u) < 8π( 1A 1g) < 9π( 1B 2u) < 10π( 1A 1g) and that the 8π( 1A 1g) - 9π( 3B 2u) gap is in the 7–11 kJ/mol range, in reasonable agreement with the negative ion photoelectron spectroscopy measurements, which give 6.27 ± 0.5 kJ/mol. Finally, in addition to the theory level used, geometry relaxation and basis set play a significant role in determining the state ordering and energy spacings. In particular, it is unsafe to use lower level, non-CC geometries and smaller basis sets.« less

Effectiveness of the 'Hold me Tight' Relationship Enhancement Program in a Self-referred and a Clinician-referred Sample: An Emotionally Focused Couples Therapy-Based Approach.

PubMed

Conradi, Henk Jan; Dingemanse, Pieter; Noordhof, Arjen; Finkenauer, Catrin; Kamphuis, Jan H

2017-09-04

While evidence-based couple therapies are available, only a minority of troubled couples seek help and they often do this too late. To reach more couples earlier, the couple relationship education (CRE) group program "Hold me Tight" (HmT) based on Emotionally Focused Couples Therapy (EFCT) was developed. This study is the first to examine the effectiveness of HmT. Using a three-wave (waiting period, treatment, and follow-up) within-subject design, HmT was delivered to 79 self-referred couples and 50 clinician-referred couples. We applied a comprehensive outcome measure battery. Our main findings were that (1) self-referred couples significantly improved during HmT on all measures, that is relationship satisfaction, security of partner-bond, forgiveness, daily coordination, maintenance behavior, and psychological complaints, with a moderate-to-large mean effect size (d = .63), which was maintained (d = .57) during the 3.5 month follow-up; (2) in clinician-referred couples, who were vulnerable in terms of insecure attachment status and psychopathology, the improvement during HmT was moderate (d = .42), but this was reduced during the 3.5-month follow-up to a small effect (d = .22); (3) emotional functioning (typical HmT target) as well as behavioral functioning (typical Behavioral Couples Therapy-based CRE target) improved during HmT; and (4) individual psychological complaints, although not specifically targeted, were reduced during HmT. These findings suggest that HmT is a promising intervention for enhancement of relationship functioning. Clinical implications are discussed. © 2017 Family Process Institute.

Giant self-biased magnetoelectric coupling in co-fired textured layered composites

NASA Astrophysics Data System (ADS)

Yan, Yongke; Zhou, Yuan; Priya, Shashank

2013-02-01

Co-fired magnetostrictive/piezoelectric/magnetostrictive laminate structure with silver inner electrode was synthesized and characterized. We demonstrate integration of textured piezoelectric microstructure with the cost-effective low-temperature co-fired layered structure to achieve strong magnetoelectric coupling. Using the co-fired composite, a strategy was developed based upon the hysteretic response of nickel-copper-zinc ferrite magnetostrictive materials to achieve peak magnetoelectric response at zero DC bias, referred as self-biased magnetoelectric response. Fundamental understanding of self-bias phenomenon in composites with single phase magnetic material was investigated by quantifying the magnetization and piezomagnetic changes with applied DC field. We delineate the contribution arising from the interfacial strain and inherent magnetic hysteretic behavior of copper modified nickel-zinc ferrite towards self-bias response.

High stability wavefront reference source

DOEpatents

Feldman, M.; Mockler, D.J.

1994-05-03

A thermally and mechanically stable wavefront reference source which produces a collimated output laser beam is disclosed. The output beam comprises substantially planar reference wavefronts which are useful for aligning and testing optical interferometers. The invention receives coherent radiation from an input optical fiber, directs a diverging input beam of the coherent radiation to a beam folding mirror (to produce a reflected diverging beam), and collimates the reflected diverging beam using a collimating lens. In a class of preferred embodiments, the invention includes a thermally and mechanically stable frame comprising rod members connected between a front end plate and a back end plate. The beam folding mirror is mounted on the back end plate, and the collimating lens mounted to the rods between the end plates. The end plates and rods are preferably made of thermally stable metal alloy. Preferably, the input optical fiber is a single mode fiber coupled to an input end of a second single mode optical fiber that is wound around a mandrel fixedly attached to the frame of the apparatus. The output end of the second fiber is cleaved so as to be optically flat, so that the input beam emerging therefrom is a nearly perfect diverging spherical wave. 7 figures.

High stability wavefront reference source

DOEpatents

Feldman, Mark; Mockler, Daniel J.

1994-01-01

A thermally and mechanically stable wavefront reference source which produces a collimated output laser beam. The output beam comprises substantially planar reference wavefronts which are useful for aligning and testing optical interferometers. The invention receives coherent radiation from an input optical fiber, directs a diverging input beam of the coherent radiation to a beam folding mirror (to produce a reflected diverging beam), and collimates the reflected diverging beam using a collimating lens. In a class of preferred embodiments, the invention includes a thermally and mechanically stable frame comprising rod members connected between a front end plate and a back end plate. The beam folding mirror is mounted on the back end plate, and the collimating lens mounted to the rods between the end plates. The end plates and rods are preferably made of thermally stable metal alloy. Preferably, the input optical fiber is a single mode fiber coupled to an input end of a second single mode optical fiber that is wound around a mandrel fixedly attached to the frame of the apparatus. The output end of the second fiber is cleaved so as to be optically flat, so that the input beam emerging therefrom is a nearly perfect diverging spherical wave.

Single-Shot Spectrally Resolved UV Rayleigh Scattering Measurements in High Speed Flow

NASA Technical Reports Server (NTRS)

Seasholtz, Richard G.

1996-01-01

A single-shot UV molecular Rayleigh scattering technique to measure velocity in high speed flow is described. The beam from an injection-seeded, frequency quadrupled Nd:YAG laser (266 nm) is focused to a line in a free air jet with velocities up to Mach 1.3. Rayleigh scattered light is imaged through a planar mirror Fabry-Perot interferometer onto a Charged Coupled Device (CCD) array detector. Some laser light is also simultaneously imaged through the Fabry-Perot to provide a frequency reference. Two velocity measurements are obtained from each image. Multiple-pulse data are also given. The Rayleigh scattering velocity data show good agreement with velocities calculated from isentropic flow relations.

Fiber Laser Development for LISA

NASA Technical Reports Server (NTRS)

Numata, Kenji; Chen, Jeffrey R.

2009-01-01

We have developed a linearly-polarized Ytterbium-doped fiber ring laser with single longitudinal-mode output at 1064nm for LISA and other space applications. Single longitudinal-mode selection was achieved by using a fiber Bragg grating (FBG) and a fiber Fabry-Perot (FFP). The FFP also serves as a frequency-reference within our ring laser. Our laser exhibits comparable low frequency and intensity noise to Non-Planar Ring Oscillator (NPRO). By using a fiber-coupled phase modulator as a frequency actuator, the laser frequency can be electro-optically tuned at a rate of 100kHz. It appears that our fiber ring laser is promising for space applications where robustness of fiber optics is desirable.

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

Smith, Stephen F; Moore, James A

Systems and methods are described for carrier-frequency synchronization for improved AM and TV broadcast reception. A method includes synchronizing a carrier frequency of a broadcast signal with a remote reference frequency. An apparatus includes a reference signal receiver; a phase comparator coupled to the reference signal receiver; a voltage controlled oscillator coupled to the phase comparator; and a radio frequency output coupled to the voltage controlled oscillator.

Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential

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

Pathak, Himadri, E-mail: hmdrpthk@gmail.com; Sasmal, Sudip, E-mail: sudipsasmal.chem@gmail.com; Vaval, Nayana

2016-08-21

The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximations using the Dirac-Coulomb Hamiltonian. At the first attempt, the implemented method is employed to calculate ionization potential value of heavy atomic (Ag, Cs, Au, Fr, and Lr) and molecular (HgH and PbF) systems, where the effect of relativity does really matter to obtain highly accurate results. Not only the relativistic effect but also the effect of electron correlation is crucial in these heavy atomic and molecular systems. To justify the fact, we have taken two further approximationsmore » in the four-component relativistic equation-of-motion framework to quantify how the effect of electron correlation plays a role in the calculated values at different levels of theory. All these calculated results are compared with the available experimental data as well as with other theoretically calculated values to judge the extent of accuracy obtained in our calculations.« less

Investigating single molecule adhesion by atomic force spectroscopy.

PubMed

Stetter, Frank W S; Kienle, Sandra; Krysiak, Stefanie; Hugel, Thorsten

2015-02-27

Atomic force spectroscopy is an ideal tool to study molecules at surfaces and interfaces. An experimental protocol to couple a large variety of single molecules covalently onto an AFM tip is presented. At the same time the AFM tip is passivated to prevent unspecific interactions between the tip and the substrate, which is a prerequisite to study single molecules attached to the AFM tip. Analyses to determine the adhesion force, the adhesion length, and the free energy of these molecules on solid surfaces and bio-interfaces are shortly presented and external references for further reading are provided. Example molecules are the poly(amino acid) polytyrosine, the graft polymer PI-g-PS and the phospholipid POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine). These molecules are desorbed from different surfaces like CH3-SAMs, hydrogen terminated diamond and supported lipid bilayers under various solvent conditions. Finally, the advantages of force spectroscopic single molecule experiments are discussed including means to decide if truly a single molecule has been studied in the experiment.

Investigating Single Molecule Adhesion by Atomic Force Spectroscopy

PubMed Central

Stetter, Frank W. S.; Kienle, Sandra; Krysiak, Stefanie; Hugel, Thorsten

2015-01-01

Atomic force spectroscopy is an ideal tool to study molecules at surfaces and interfaces. An experimental protocol to couple a large variety of single molecules covalently onto an AFM tip is presented. At the same time the AFM tip is passivated to prevent unspecific interactions between the tip and the substrate, which is a prerequisite to study single molecules attached to the AFM tip. Analyses to determine the adhesion force, the adhesion length, and the free energy of these molecules on solid surfaces and bio-interfaces are shortly presented and external references for further reading are provided. Example molecules are the poly(amino acid) polytyrosine, the graft polymer PI-g-PS and the phospholipid POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine). These molecules are desorbed from different surfaces like CH3-SAMs, hydrogen terminated diamond and supported lipid bilayers under various solvent conditions. Finally, the advantages of force spectroscopic single molecule experiments are discussed including means to decide if truly a single molecule has been studied in the experiment. PMID:25867282

Reaction monitoring using hyperpolarized NMR with scaling of heteronuclear couplings by optimal tracking.

PubMed

Zhang, Guannan; Schilling, Franz; Glaser, Steffen J; Hilty, Christian

2016-11-01

Off-resonance decoupling using the method of Scaling of Heteronuclear Couplings by Optimal Tracking (SHOT) enables determination of heteronuclear correlations of chemical shifts in single scan NMR spectra. Through modulation of J-coupling evolution by shaped radio frequency pulses, off resonance decoupling using SHOT pulses causes a user-defined dependence of the observed J-splitting, such as the splitting of 13 C peaks, on the chemical shift offset of coupled nuclei, such as 1 H. Because a decoupling experiment requires only a single scan, this method is suitable for characterizing on-going chemical reactions using hyperpolarization by dissolution dynamic nuclear polarization (D-DNP). We demonstrate the calculation of [ 13 C, 1 H] chemical shift correlations of the carbanionic active sites from hyperpolarized styrene polymerized using sodium naphthalene as an initiator. While off resonance decoupling by SHOT pulses does not enhance the resolution in the same way as a 2D NMR spectrum would, the ability to obtain the correlations in single scans makes this method ideal for determination of chemical shifts in on-going reactions on the second time scale. In addition, we present a novel SHOT pulse that allows to scale J-splittings 50% larger than the respective J-coupling constant. This feature can be used to enhance the resolution of the indirectly detected chemical shift and reduce peak overlap, as demonstrated in a model reaction between p-anisaldehyde and isobutylamine. For both pulses, the accuracy is evaluated under changing signal-to-noise ratios (SNR) of the peaks from reactants and reaction products, with an overall standard deviation of chemical shift differences compared to reference spectra of 0.02ppm when measured on a 400MHz NMR spectrometer. Notably, the appearance of decoupling side-bands, which scale with peak intensity, appears to be of secondary importance. Copyright © 2016 Elsevier Inc. All rights reserved.

Adaptive multiconfigurational wave functions.

PubMed

Evangelista, Francesco A

2014-03-28

A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff Λ. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than Λ. The resulting Λ-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (Λ+SD-CI), which is based on a small Λ-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build Λ-CI wave functions. The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The Λ-CI and Λ+SD-CI approaches are used to compute the dissociation curve of N2 and the potential energy curves for the first three singlet states of C2. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the Λ-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu2O2(2+) core, illustrates an alternative use of the Λ-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.

Systemic risk in multiplex networks with asymmetric coupling and threshold feedback

NASA Astrophysics Data System (ADS)

Burkholz, Rebekka; Leduc, Matt V.; Garas, Antonios; Schweitzer, Frank

2016-06-01

We study cascades on a two-layer multiplex network, with asymmetric feedback that depends on the coupling strength between the layers. Based on an analytical branching process approximation, we calculate the systemic risk measured by the final fraction of failed nodes on a reference layer. The results are compared with the case of a single layer network that is an aggregated representation of the two layers. We find that systemic risk in the two-layer network is smaller than in the aggregated one only if the coupling strength between the two layers is small. Above a critical coupling strength, systemic risk is increased because of the mutual amplification of cascades in the two layers. We even observe sharp phase transitions in the cascade size that are less pronounced on the aggregated layer. Our insights can be applied to a scenario where firms decide whether they want to split their business into a less risky core business and a more risky subsidiary business. In most cases, this may lead to a drastic increase of systemic risk, which is underestimated in an aggregated approach.

Determination of Total Biotin by Liquid Chromatography Coupled with Immunoaffinity Column Cleanup Extraction: Multilaboratory Testing, Final Action 2016.02.

PubMed

Joseph, George; Devi, Ranjani; Marley, Elaine C; Leeman, David

2018-05-01

Single- and multilaboratory testing data have provided systematic scientific evidence that a simple, selective, accurate, and precise method can be used as a potential candidate reference method for dispute resolution in determining total biotin in all forms of infant, adult, and/or pediatric formula. Using LC coupled with immunoaffinity column cleanup extraction, the method fully meets the intended purpose and applicability statement in AOAC Standard Method Performance Requirement 2014.005. The method was applied to a cross-section of infant formula and adult nutritional matrixes, and acceptable precision and accuracy were established. The analytical platform is inexpensive, and the method can be used in almost any laboratory worldwide with basic facilities. The immunoaffinity column cleanup extraction is the key step to successful analysis.

Carrier-frequency synchronization system for improved amplitude modulation and television broadcast reception

DOEpatents

Smith, Stephen F.; Moore, James A.

2003-05-13

Systems and methods are described for carrier-frequency synchronization for improved AM and TV broadcast reception. A method includes synchronizing a carrier frequency of a broadcast signal with a remote reference frequency. An apparatus includes a reference signal receiver; a phase comparator coupled to the reference signal receiver; a voltage controlled oscillator coupled to the phase comparator; and a radio frequency output coupled to the voltage controlled oscillator.

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

Smith, Stephen F; Moore, James A

Systems and methods are described for carrier phase synchronization for improved AM and TV broadcast reception. A method includes synchronizing the phase of a carrier frequency of a broadcast signal with the phase of a remote reference frequency. An apparatus includes a receiver to detect the phase of a reference signal; a phase comparator coupled to the reference signal-phase receiver; a voltage controlled oscillator coupled to the phase comparator; and a phase-controlled radio frequency output coupled to the voltage controlled oscillator.

Metamaterial split ring resonator as a sensitive mechanical vibration sensor

NASA Astrophysics Data System (ADS)

Sikha Simon, K.; Chakyar, Sreedevi P.; Andrews, Jolly; Joseph V., P.

2017-06-01

This paper introduces a sensitive vibration sensor based on microwave metamaterial Split Ring Resonator (SRR) capable of detecting any ground vibration. The experimental setup consists of single Broad-side Coupled SRR (BCSRR) unit fixed on a cantilever capable of sensitive vibrations. It is arranged between transmitting and receiving probes of a microwave measurement system. The absorption level variations at the resonant frequency due to the displacement from the reference plane of SRR, which is a function of the strength of external mechanical vibration, is analyzed. This portable and cost effective sensor working on a single frequency is observed to be capable of detecting even very weak vibrations. This may find potential applications in the field of tamper-proofing, mining, quarrying and earthquake sensing.

A fluid membrane enhances the velocity of cargo transport by small teams of kinesin-1

NASA Astrophysics Data System (ADS)

Li, Qiaochu; Tseng, Kuo-Fu; King, Stephen J.; Qiu, Weihong; Xu, Jing

2018-03-01

Kinesin-1 (hereafter referred to as kinesin) is a major microtubule-based motor protein for plus-end-directed intracellular transport in live cells. While the single-molecule functions of kinesin are well characterized, the physiologically relevant transport of membranous cargos by small teams of kinesins remains poorly understood. A key experimental challenge remains in the quantitative control of the number of motors driving transport. Here we utilized "motile fraction" to overcome this challenge and experimentally accessed transport by a single kinesin through the physiologically relevant transport by a small team of kinesins. We used a fluid lipid bilayer to model the cellular membrane in vitro and employed optical trapping to quantify the transport of membrane-enclosed cargos versus traditional membrane-free cargos under identical conditions. We found that coupling motors via a fluid membrane significantly enhances the velocity of cargo transport by small teams of kinesins. Importantly, enclosing a cargo in a fluid lipid membrane did not impact single-kinesin transport, indicating that membrane-dependent velocity enhancement for team-based transport arises from altered interactions between kinesins. Our study demonstrates that membrane-based coupling between motors is a key determinant of kinesin-based transport. Enhanced velocity may be critical for fast delivery of cargos in live cells.

Electrocatalytic cermet sensor

DOEpatents

Shoemaker, E.L.; Vogt, M.C.

1998-06-30

A sensor is described for O{sub 2} and CO{sub 2} gases. The gas sensor includes a plurality of layers driven by a cyclic voltage to generate a unique plot characteristic of the gas in contact with the sensor. The plurality of layers includes an alumina substrate, a reference electrode source of anions, a lower electrical reference electrode of Pt coupled to the reference source of anions, a solid electrolyte containing tungsten and coupled to the lower reference electrode, a buffer layer for preventing flow of Pt ions into the solid electrolyte and an upper catalytically active Pt electrode coupled to the buffer layer. 16 figs.

Electrocatalytic cermet sensor

DOEpatents

Shoemaker, Erika L.; Vogt, Michael C.

1998-01-01

A sensor for O.sub.2 and CO.sub.2 gases. The gas sensor includes a plurality of layers driven by a cyclic voltage to generate a unique plot characteristic of the gas in contact with the sensor. The plurality of layers includes an alumina substrate, a reference electrode source of anions, a lower electrical reference electrode of Pt coupled to the reference source of anions, a solid electrolyte containing tungsten and coupled to the lower reference electrode, a buffer layer for preventing flow of Pt ions into the solid electrolyte and an upper catalytically active Pt electrode coupled to the buffer layer.

Electronic Structure of Ethynyl Substituted Cyclobutadienes

NASA Astrophysics Data System (ADS)

Emmert, Frank Lee Emmert, III; Thompson, Stephanie J.; Slipchenko, Lyudmila V.

2011-06-01

We investigated the effects of ethynyl substitution on the electronic structure of cyclobutadiene. These species are involved in Bergman Cyclization reactionsand are possible intermediates in the formation of fullerenes and graphite sheets. Prediction of the electronic energy of cyclobutadiene is challenging for single-reference ab initio methods such as HF, MP2 or DFT because of Jahn-Teller distortions and the diradical character of the singlet state. We determined the vertical and adiabatic singlet-triplet energy splittings, the natural charges and spin densities in substituted cyclobutadienes, using the equations of motion spin flip coupled cluster with single and double excitations (EOM-SF-CCSD) method that accurately describes diradical states. The adiabatic singlet-triplet gaps decrease upon substituent addition, but the singlet state is always lower in energy. However, we found that the results are affected by spin-contamination of the reference state and deteriorate when an unrestricted HF reference is employed. O. L. Chapman, C. L. McIntosh, J. Pacansky, "Cyclobutadiene" J. Am. Chem. Soc. 1973, 95, (2), 614-617. N. S. Goroff, "Mechanism of Fullerene Formation." Acc. Chem. Res. 1996, 29, (2), 77-83. L.V. Slipchenko and A.I. Krylov, "Singlet-triplet gaps in diradicals by the Spin-Flip approach: A benchmark study", J. Chem. Phys. 2002, 117, 4694-4708.

Unsteady Cascade Aerodynamic Response Using a Multiphysics Simulation Code

NASA Technical Reports Server (NTRS)

Lawrence, C.; Reddy, T. S. R.; Spyropoulos, E.

2000-01-01

The multiphysics code Spectrum(TM) is applied to calculate the unsteady aerodynamic pressures of oscillating cascade of airfoils representing a blade row of a turbomachinery component. Multiphysics simulation is based on a single computational framework for the modeling of multiple interacting physical phenomena, in the present case being between fluids and structures. Interaction constraints are enforced in a fully coupled manner using the augmented-Lagrangian method. The arbitrary Lagrangian-Eulerian method is utilized to account for deformable fluid domains resulting from blade motions. Unsteady pressures are calculated for a cascade designated as the tenth standard, and undergoing plunging and pitching oscillations. The predicted unsteady pressures are compared with those obtained from an unsteady Euler co-de refer-red in the literature. The Spectrum(TM) code predictions showed good correlation for the cases considered.

Biorthogonal projected energies of a Gutzwiller similarity transformed Hamiltonian.

PubMed

Wahlen-Strothman, J M; Scuseria, G E

2016-12-07

We present a method incorporating biorthogonal orbital-optimization, symmetry projection, and double-occupancy screening with a non-unitary similarity transformation generated by the Gutzwiller factor [Formula: see text], and apply it to the Hubbard model. Energies are calculated with mean-field computational scaling with high-quality results comparable to coupled cluster singles and doubles. This builds on previous work performing similarity transformations with more general, two-body Jastrow-style correlators. The theory is tested on 2D lattices ranging from small systems into the thermodynamic limit and is compared to available reference data.

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

Yamaguchi, Kizashi; Nishihara, Satomichi; Saito, Toru

First principle calculations of effective exchange integrals (J) in the Heisenberg model for diradical species were performed by both symmetry-adapted (SA) multi-reference (MR) and broken-symmetry (BS) single reference (SR) methods. Mukherjee-type (Mk) state specific (SS) MR coupled-cluster (CC) calculations by the use of natural orbital (NO) references of ROHF, UHF, UDFT and CASSCF solutions were carried out to elucidate J values for di- and poly-radical species. Spin-unrestricted Hartree Fock (UHF) based coupled-cluster (CC) computations were also performed to these species. Comparison between UHF-NO(UNO)-MkMRCC and BS UHF-CC computational results indicated that spin-contamination of UHF-CC solutions still remains at the SD level.more » In order to eliminate the spin contamination, approximate spin-projection (AP) scheme was applied for UCC, and the AP procedure indeed corrected the error to yield good agreement with MkMRCC in energy. The CC double with spin-unrestricted Brueckner's orbital (UBD) was furthermore employed for these species, showing that spin-contamination involved in UHF solutions is largely suppressed, and therefore AP scheme for UBCCD removed easily the rest of spin-contamination. We also performed spin-unrestricted pure- and hybrid-density functional theory (UDFT) calculations of diradical and polyradical species. Three different computational schemes for total spin angular momentums were examined for the AP correction of the hybrid (H) UDFT. HUDFT calculations followed by AP, HUDFT(AP), yielded the S-T gaps that were qualitatively in good agreement with those of MkMRCCSD, UHF-CC(AP) and UB-CC(AP). Thus a systematic comparison among MkMRCCSD, UCC(AP) UBD(AP) and UDFT(AP) was performed concerning with the first principle calculations of J values in di- and poly-radical species. It was found that BS (AP) methods reproduce MkMRCCSD results, indicating their applicability to large exchange coupled systems.« less

Performance of Four-Leg VSC based DSTATCOM using Single Phase P-Q Theory

NASA Astrophysics Data System (ADS)

Jampana, Bangarraju; Veramalla, Rajagopal; Askani, Jayalaxmi

2017-02-01

This paper presents single-phase P-Q theory for four-leg VSC based distributed static compensator (DSTATCOM) in the distribution system. The proposed DSTATCOM maintains unity power factor at source, zero voltage regulation, eliminates current harmonics, load balancing and neutral current compensation. The advantage of using four-leg VSC based DSTATCOM is to eliminate isolated/non-isolated transformer connection at point of common coupling (PCC) for neutral current compensation. The elimination of transformer connection at PCC with proposed topology will reduce cost of DSTATCOM. The single-phase P-Q theory control algorithm is used to extract fundamental component of active and reactive currents for generation of reference source currents which is based on indirect current control method. The proposed DSTATCOM is modelled and the results are validated with various consumer loads under unity power factor and zero voltage regulation modes in the MATLAB R2013a environment using simpower system toolbox.

An ab initio study of the C3(+) cation using multireference methods

NASA Technical Reports Server (NTRS)

Taylor, Peter R.; Martin, J. M. L.; Francois, J. P.; Gijbels, R.

1991-01-01

The energy difference between the linear 2 sigma(sup +, sub u) and cyclic 2B(sub 2) structures of C3(+) has been investigated using large (5s3p2d1f) basis sets and multireference electron correlation treatments, including complete active space self consistent fields (CASSCF), multireference configuration interaction (MRCI), and averaged coupled-pair functional (ACPF) methods, as well as the single-reference quadratic configuration interaction (QCISD(T)) method. Our best estimate, including a correction for basis set incompleteness, is that the linear form lies above the cyclic from by 5.2(+1.5 to -1.0) kcal/mol. The 2 sigma(sup +, sub u) state is probably not a transition state, but a local minimum. Reliable computation of the cyclic/linear energy difference in C3(+) is extremely demanding of the electron correlation treatment used: of the single-reference methods previously considered, CCSD(T) and QCISD(T) perform best. The MRCI + Q(0.01)/(4s2p1d) energy separation of 1.68 kcal/mol should provide a comparison standard for other electron correlation methods applied to this system.

Carrier phase synchronization system for improved amplitude modulation and television broadcast reception

DOEpatents

Smith, Stephen F [Loudon, TN; Moore, James A [Powell, TN

2011-02-01

Systems and methods are described for carrier phase synchronization for improved AM and TV broadcast reception. A method includes synchronizing the phase of a carrier frequency of a broadcast signal with the phase of a remote reference frequency. An apparatus includes a receiver to detect the phase of a reference signal; a phase comparator coupled to the reference signal-phase receiver; a voltage controlled oscillator coupled to the phase comparator; and a phase-controlled radio frequency output coupled to the voltage controlled oscillator.

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei

DOE PAGES

Signoracci, Angelo J.; Duguet, Thomas; Hagen, Gaute; ...

2015-06-29

Background: Ab initio many-body methods have been developed over the past 10 yr to address closed-shell nuclei up to mass A≈130 on the basis of realistic two- and three-nucleon interactions. A current frontier relates to the extension of those many-body methods to the description of open-shell nuclei. Several routes to address open-shell nuclei are currently under investigation, including ideas that exploit spontaneous symmetry breaking. Purpose: Singly open-shell nuclei can be efficiently described via the sole breaking of U(1) gauge symmetry associated with particle-number conservation as a way to account for their superfluid character. While this route was recently followed withinmore » the framework of self-consistent Green's function theory, the goal of the present work is to formulate a similar extension within the framework of coupled cluster theory. Methods: We formulate and apply Bogoliubov coupled cluster (BCC) theory, which consists of representing the exact ground-state wave function of the system as the exponential of a quasiparticle excitation cluster operator acting on a Bogoliubov reference state. Equations for the ground-state energy and the cluster amplitudes are derived at the singles and doubles level (BCCSD) both algebraically and diagrammatically. The formalism includes three-nucleon forces at the normal-ordered two-body level. The first BCC code is implemented in m scheme, which will permit the treatment of doubly open-shell nuclei via the further breaking of SU(2) symmetry associated with angular momentum conservation. Results: Proof-of-principle calculations in an N max=6 spherical harmonic oscillator basis for 16,18O and 18Ne in the BCCD approximation are in good agreement with standard coupled cluster results with the same chiral two-nucleon interaction, while 20O and 20Mg display underbinding relative to experiment. The breaking of U(1) symmetry, monitored by computing the variance associated with the particle-number operator, is relatively constant for all five nuclei, in both the Hartree-Fock-Bogoliubov and BCCD approximations. Conclusions: The newly developed many-body formalism increases the potential span of ab initio calculations based on single-reference coupled cluster techniques tremendously, i.e., potentially to reach several hundred additional midmass nuclei. The new formalism offers a wealth of potential applications and further extensions dedicated to the description of ground and excited states of open-shell nuclei. Short-term goals include the implementation of three-nucleon forces at the normal-ordered two-body level. Midterm extensions include the approximate treatment of triples corrections and the development of the equation-of-motion methodology to treat both excited states and odd nuclei. Long-term extensions include exact restoration of U(1) and SU(2) symmetries.« less

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.

Homogeneity study of a corn flour laboratory reference material candidate for inorganic analysis.

PubMed

Dos Santos, Ana Maria Pinto; Dos Santos, Liz Oliveira; Brandao, Geovani Cardoso; Leao, Danilo Junqueira; Bernedo, Alfredo Victor Bellido; Lopes, Ricardo Tadeu; Lemos, Valfredo Azevedo

2015-07-01

In this work, a homogeneity study of a corn flour reference material candidate for inorganic analysis is presented. Seven kilograms of corn flour were used to prepare the material, which was distributed among 100 bottles. The elements Ca, K, Mg, P, Zn, Cu, Fe, Mn and Mo were quantified by inductively coupled plasma optical emission spectrometry (ICP OES) after acid digestion procedure. The method accuracy was confirmed by analyzing the rice flour certified reference material, NIST 1568a. All results were evaluated by analysis of variance (ANOVA) and principal component analysis (PCA). In the study, a sample mass of 400mg was established as the minimum mass required for analysis, according to the PCA. The between-bottle test was performed by analyzing 9 bottles of the material. Subsamples of a single bottle were analyzed for the within-bottle test. No significant differences were observed for the results obtained through the application of both statistical methods. This fact demonstrates that the material is homogeneous for use as a laboratory reference material. Copyright © 2015 Elsevier Ltd. All rights reserved.

Adaptive multiconfigurational wave functions

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

Evangelista, Francesco A., E-mail: francesco.evangelista@emory.edu

2014-03-28

A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff Λ. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than Λ. The resulting Λ-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (Λ+SD-CI), which is based on a small Λ-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build Λ-CI wave functions.more » The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The Λ-CI and Λ+SD-CI approaches are used to compute the dissociation curve of N{sub 2} and the potential energy curves for the first three singlet states of C{sub 2}. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the Λ-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu{sub 2}O{sub 2}{sup 2+} core, illustrates an alternative use of the Λ-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.« less

A reference Pelton turbine - High speed visualization in the rotating frame

NASA Astrophysics Data System (ADS)

Solemslie, Bjørn W.; Dahlhaug, Ole G.

2016-11-01

To enable a detailed study the flow mechanisms effecting the flow within the reference Pelton runner designed at the Waterpower Laboratory (NTNLT) a flow visualization system has been developed. The system enables high speed filming of the hydraulic surface of a single bucket in the rotating frame of reference. It is built with an angular borescopes adapter entering the turbine along the rotational axis and a borescope embedded within a bucket. A stationary high speed camera located outside the turbine housing has been connected to the optical arrangement by a non-contact coupling. The view point of the system includes the whole hydraulic surface of one half of a bucket. The system has been designed to minimize the amount of vibrations and to ensure that the vibrations felt by the borescope are the same as those affecting the camera. The preliminary results captured with the system are promising and enable a detailed study of the flow within the turbine.

Thin-film piezoelectric-on-silicon resonators for high-frequency reference oscillator applications.

PubMed

Abdolvand, Reza; Lavasani, Hossein M; Ho, Gavin K; Ayazi, Farrokh

2008-12-01

This paper studies the application of lateral bulk acoustic thin-film piezoelectric-on-substrate (TPoS) resonators in high-frequency reference oscillators. Low-motional-impedance TPoS resonators are designed and fabricated in 2 classes--high-order and coupled-array. Devices of each class are used to assemble reference oscillators and the performance characteristics of the oscillators are measured and discussed. Since the motional impedance of these devices is small, the transimpedance amplifier (TIA) in the oscillator loop can be reduced to a single transistor and 3 resistors, a format that is very power-efficient. The lowest reported power consumption is approximately 350 microW for an oscillator operating at approximately 106 MHz. A passive temperature compensation method is also utilized by including the buried oxide layer of the silicon-on-insulator (SOI) substrate in the structural resonant body of the device, and a very small (-2.4 ppm/ degrees C) temperature coefficient of frequency is obtained for an 82-MHz oscillator.

Do singles or couples live healthier lifestyles? Trends in Queensland between 2005-2014.

PubMed

Schoeppe, Stephanie; Vandelanotte, Corneel; Rebar, Amanda L; Hayman, Melanie; Duncan, Mitch J; Alley, Stephanie J

2018-01-01

To compare the frequency of and trends in healthy lifestyle factors between singles and couples. Cross-sectional data from annual surveys conducted from 2005-2014 were used. The pooled sample included 15,001 Australian adults (mean age: 52.9 years, 50% male, 74% couples) who participated in the annual Queensland Social Survey via computer-assisted telephone interviews. Relationship status was dichotomised into single and couple. Binary logistic regression was used to assess associations between relationship status, and the frequency of and trends in healthy lifestyle factors. Compared to singles, couples were significantly more likely to be a non-smoker (OR = 1.82), and meet recommendations for limited fast food (OR = 1.12), alcohol consumption (OR = 1.27) and fruit and vegetable intake (OR = 1.24). Fruit and vegetable intake was not significantly associated with relationship status after adjusting for the other healthy lifestyle factors. Conversely, couples were significantly less likely to be within a normal weight range (OR = 0.81). In both singles and couples, the trend data revealed significant declines in the rates of normal weight (singles: OR = 0.97, couples: OR = 0.97) and viewing TV for less than 14 hours per week (singles: OR = 0.85, couples: OR = 0.84), whilst non-smoking rates significantly increased (singles: OR = 1.12, couples: OR = 1.03). The BMI trend was no longer significant when adjusting for health behaviours. Further, in couples, rates of meeting recommendations for physical activity and fruit/vegetable consumption significantly decreased (OR = 0.97 and OR = 0.95, respectively), as did rates of eating no fast food (OR = 0.96). These trends were not significant when adjusting for the other healthy lifestyle factors. In singles, rates of meeting alcohol recommendations significantly increased (OR = 1.08). Health behaviour interventions are needed in both singles and couples, but relationship status needs to be considered in interventions targeting alcohol, fast food, smoking and BMI. Further research is needed to understand why health behaviours differ by relationship status in order to further improve interventions.

Utilization of optimized BCR three-step sequential and dilute HCl single extraction procedures for soil-plant metal transfer predictions in contaminated lands.

PubMed

Kubová, Jana; Matús, Peter; Bujdos, Marek; Hagarová, Ingrid; Medved', Ján

2008-05-30

The prediction of soil metal phytoavailability using the chemical extractions is a conventional approach routinely used in soil testing. The adequacy of such soil tests for this purpose is commonly assessed through a comparison of extraction results with metal contents in relevant plants. In this work, the fractions of selected risk metals (Al, As, Cd, Cu, Fe, Mn, Ni, Pb, Zn) that can be taken up by various plants were obtained by optimized BCR (Community Bureau of Reference) three-step sequential extraction procedure (SEP) and by single 0.5 mol L(-1) HCl extraction. These procedures were validated using five soil and sediment reference materials (SRM 2710, SRM 2711, CRM 483, CRM 701, SRM RTH 912) and applied to significantly different acidified soils for the fractionation of studied metals. The new indicative values of Al, Cd, Cu, Fe, Mn, P, Pb and Zn fractional concentrations for these reference materials were obtained by the dilute HCl single extraction. The influence of various soil genesis, content of essential elements (Ca, Mg, K, P) and different anthropogenic sources of acidification on extraction yields of individual risk metal fractions was investigated. The concentrations of studied elements were determined by atomic spectrometry methods (flame, graphite furnace and hydride generation atomic absorption spectrometry and inductively coupled plasma optical emission spectrometry). It can be concluded that the data of extraction yields from first BCR SEP acid extractable step and soil-plant transfer coefficients can be applied to the prediction of qualitative mobility of selected risk metals in different soil systems.

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

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

Wahlen-Strothman, J. M.; Henderson, T. H.; Hermes, M. R.

Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems, but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories.more » We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. Despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.« less

Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian

NASA Astrophysics Data System (ADS)

Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E.

2017-06-01

The failures of single-reference coupled-cluster theory for strongly correlated many-body systems is flagged at the mean-field level by the spontaneous breaking of one or more physical symmetries of the Hamiltonian. Restoring the symmetry of the mean-field determinant by projection reveals that coupled-cluster theory fails because it factorizes high-order excitation amplitudes incorrectly. However, symmetry-projected mean-field wave functions do not account sufficiently for dynamic (or weak) correlation. Here we pursue a merger of symmetry projection and coupled-cluster theory, following previous work along these lines that utilized the simple Lipkin model system as a test bed [J. Chem. Phys. 146, 054110 (2017), 10.1063/1.4974989]. We generalize the concept of a symmetry-projected mean-field wave function to the concept of a symmetry projected state, in which the factorization of high-order excitation amplitudes in terms of low-order ones is guided by symmetry projection and is not exponential, and combine them with coupled-cluster theory in order to model the ground state of the Agassi Hamiltonian. This model has two separate channels of correlation and two separate physical symmetries which are broken under strong correlation. We show how the combination of symmetry collective states and coupled-cluster theory is effective in obtaining correlation energies and order parameters of the Agassi model throughout its phase diagram.

Conformational analysis of the deoxyribofuranose ring in DNA by means of sums of proton-proton coupling constants: A graphical method

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

Rinkel, L.J.; Altona, C.

1987-02-01

A graphical method is presented for the conformational analysis of the sugar ring in DNA fragments by means of proton-proton couplings. The coupling data required for this analysis consist of sums of couplings, which are referred to as sigma 1' (= J1'2' + J1'2''), sigma 2' (= J1'2' + J2'3' + J2'2''), sigma 2'' (= J1'2'' + J2''3' + J2'2'') and sigma 3' (= J2'3' + J2''3' + J3'4'). These sums of couplings correspond to the distance between the outer peaks of the H1', H2', H2'' and H3' (31P) resonances, respectively, (except for sigma 2' and sigma 2'' in themore » case of a small chemical shift difference between the H2' and H2'' resonances) and can often be obtained from 1H-NMR spectra via first-order measurement, obviating the necessity of a computer-assisted simulation of the fine structure of these resonances. Two different types of graphs for the interpretation of the coupling data are discussed: the first type of graph serves to probe as to whether or not the sugar ring occurs as a single conformer, and if so to analyze the coupling data in terms of the geometry of this sugar ring. In cases where the sugar ring does not occur as a single conformer, but as a blend of N- and S-type sugar puckers, the second type of graph is used to analyze the coupling data in terms of the geometry and population of the most abundant form. It is shown that the latter type of analysis can be carried out on the basis of experimental values for merely sigma 1',sigma 2' and sigma 2'', without any assumptions or restrictions concerning a relation between the geometry of the N- and S-type conformer. In addition, the question is discussed as to how insight can be gained into the conformational purity of the sugar ring from the observed fine structure of the H1' resonance.« less

Large Scale Deformation of the Western U.S. Cordillera

NASA Technical Reports Server (NTRS)

Bennett, Richard A.

2002-01-01

Over the past couple of years, with support from NASA, we used a large collection of data from GPS, VLBI, SLR, and DORIS networks which span the Western U.S. Cordillera (WUSC) to precisely quantify present-day large-scale crustal deformations in a single uniform reference frame. Our work was roughly divided into an analysis of these space geodetic observations to infer the deformation field across and within the entire plate boundary zone, and an investigation of the implications of this deformation field regarding plate boundary dynamics. Following the determination of the first generation WUSC velocity solution, we placed high priority on the dissemination of the velocity estimates. With in-kind support from the Smithsonian Astrophysical Observatory, we constructed a web-site which allows anyone to access the data, and to determine their own velocity reference frame.

Large Scale Deformation of the Western U.S. Cordillera

NASA Technical Reports Server (NTRS)

Bennett, Richard A.

2002-01-01

Over the past couple of years, with support from NASA, we used a large collection of data from GPS, VLBI, SLR, and DORIS networks which span the Westem U.S. Cordillera (WUSC) to precisely quantify present-day large-scale crustal deformations in a single uniform reference frame. Our work was roughly divided into an analysis of these space geodetic observations to infer the deformation field across and within the entire plate boundary zone, and an investigation of the implications of this deformation field regarding plate boundary dynamics. Following the determination of the first generation WUSC velocity solution, we placed high priority on the dissemination of the velocity estimates. With in-kind support from the Smithsonian Astrophysical Observatory, we constructed a web-site which allows anyone to access the data, and to determine their own velocity reference frame.

Characterization of a gated fiber-optic-coupled detector for application in clinical electron beam dosimetry

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

Tanyi, James A.; Nitzling, Kevin D.; Lodwick, Camille J.

2011-02-15

Purpose: Assessment of the fundamental dosimetric characteristics of a novel gated fiber-optic-coupled dosimetry system for clinical electron beam irradiation. Methods: The response of fiber-optic-coupled dosimetry system to clinical electron beam, with nominal energy range of 6-20 MeV, was evaluated for reproducibility, linearity, and output dependence on dose rate, dose per pulse, energy, and field size. The validity of the detector system's response was assessed in correspondence with a reference ionization chamber. Results: The fiber-optic-coupled dosimetry system showed little dependence to dose rate variations (coefficient of variation {+-}0.37%) and dose per pulse changes (with 0.54% of reference chamber measurements). The reproducibilitymore » of the system was {+-}0.55% for dose fractions of {approx}100 cGy. Energy dependence was within {+-}1.67% relative to the reference ionization chamber for the 6-20 MeV nominal electron beam energy range. The system exhibited excellent linear response (R{sup 2}=1.000) compared to reference ionization chamber in the dose range of 1-1000 cGy. The output factors were within {+-}0.54% of the corresponding reference ionization chamber measurements. Conclusions: The dosimetric properties of the gated fiber-optic-coupled dosimetry system compare favorably to the corresponding reference ionization chamber measurements and show considerable potential for applications in clinical electron beam radiotherapy.« less

Optically coupled methods for microwave impedance microscopy

NASA Astrophysics Data System (ADS)

Johnston, Scott R.; Ma, Eric Yue; Shen, Zhi-Xun

2018-04-01

Scanning Microwave Impedance Microscopy (MIM) measurement of photoconductivity with 50 nm resolution is demonstrated using a modulated optical source. The use of a modulated source allows for the measurement of photoconductivity in a single scan without a reference region on the sample, as well as removing most topographical artifacts and enhancing signal to noise as compared with unmodulated measurement. A broadband light source with a tunable monochrometer is then used to measure energy resolved photoconductivity with the same methodology. Finally, a pulsed optical source is used to measure local photo-carrier lifetimes via MIM, using the same 50 nm resolution tip.

Chiral Magnetic Effect Search in p(d)+Au, Au+Au Collisions at RHIC

NASA Astrophysics Data System (ADS)

Zhao, Jie

The chiral magnetic effect (CME) refers to charge separation along a strong magnetic field of single-handed quarks, caused by interactions with topological gluon fields from QCD vacuum fluctuations. A major background of CME measurements in heavy-ion collisions comes from resonance decays coupled with elliptical flow anisotropy. These proceedings present two new studies from STAR to shed further light on the background issue: (1) small system p+Au and d+Au collisions where the CME signal is not expected, and (2) pair invariant mass dependence where resonance peaks can be identified.

Emergence of self and other in perception and action: an event-control approach.

PubMed

Jordan, J Scott

2003-12-01

The present paper analyzes the regularities referred to via the concept 'self.' This is important, for cognitive science traditionally models the self as a cognitive mediator between perceptual inputs and behavioral outputs. This leads to the assertion that the self causes action. Recent findings in social psychology indicate this is not the case and, as a consequence, certain cognitive scientists model the self as being epiphenomenal. In contrast, the present paper proposes an alternative approach (i.e., the event-control approach) that is based on recently discovered regularities between perception and action. Specifically, these regularities indicate that perception and action planning utilize common neural resources. This leads to a coupling of perception, planning, and action in which the first two constitute aspects of a single system (i.e., the distal-event system) that is able to pre-specify and detect distal events. This distal-event system is then coupled with action (i.e., effector-control systems) in a constraining, as opposed to 'causal' manner. This model has implications for how we conceptualize the manner in which one infers the intentions of another, anticipates the intentions of another, and possibly even experiences another. In conclusion, it is argued that it may be possible to map the concept 'self' onto the regularities referred to in the event-control model, not in order to reify 'the self' as a causal mechanism, but to demonstrate its status as a useful concept that refers to regularities that are part of the natural order.

Simultaneous identification and quantification of new psychoactive substances in blood by GC-APCI-QTOFMS coupled to nitrogen chemiluminescence detection without authentic reference standards.

PubMed

Ojanperä, Ilkka; Mesihää, Samuel; Rasanen, Ilpo; Pelander, Anna; Ketola, Raimo A

2016-05-01

A novel platform is introduced for simultaneous identification and quantification of new psychoactive substances (NPS) in blood matrix, without the necessity of using authentic reference standards. The instrumentation consisted of gas chromatography (GC) coupled to nitrogen chemiluminescence detection (NCD) and atmospheric pressure chemical ionization quadrupole time-of-flight mass spectrometry (APCI-QTOFMS). In this concept, the GC flow is divided in appropriate proportions between NCD for single-calibrant quantification, utilizing the detector's equimolar response to nitrogen, and QTOFMS for accurate mass-based identification. The principle was proven by analyzing five NPS, bupropion, desoxypipradrol (2-DPMP), mephedrone, methylone, and naphyrone, in sheep blood. The samples were spiked with the analytes post-extraction to avoid recovery considerations at this point. All the NPS studies produced a protonated molecule in APCI resulting in predictable fragmentation with high mass accuracy. The N-equimolarity of quantification by NCD was investigated by using external calibration with the secondary standard caffeine at five concentration levels between 0.17 and 1.7 mg/L in blood matrix as five replicates. The equimolarity was on average 98.7%, and the range of individual equimolarity determinations was 76.7-130.1%. The current analysis platform affords a promising approach to instant simultaneous qualitative and quantitative analysis of drugs in the absence of authentic reference standards, not only in forensic and clinical toxicology but also in other bioanalytical applications.

Controller design for a class of nonlinear MIMO coupled system using multiple models and second level adaptation.

PubMed

Pandey, Vinay Kumar; Kar, Indrani; Mahanta, Chitralekha

2017-07-01

In this paper, an adaptive control method using multiple models with second level adaptation is proposed for a class of nonlinear multi-input multi-output (MIMO) coupled systems. Multiple estimation models are used to tune the unknown parameters at the first level. The second level adaptation provides a single parameter vector for the controller. A feedback linearization technique is used to design a state feedback control. The efficacy of the designed controller is validated by conducting real time experiment on a laboratory setup of twin rotor MIMO system (TRMS). The TRMS setup is discussed in detail and the experiments were performed for regulation and tracking problem for pitch and yaw control using different reference signals. An Extended Kalman Filter (EKF) has been used to observe the unavailable states of the TRMS. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Pointing Reference Scheme for Free-Space Optical Communications Systems

NASA Technical Reports Server (NTRS)

Wright, Malcolm; Ortiz, Gerardo; Jeganathan, Muthu

2006-01-01

A scheme is proposed for referencing the propagation direction of the transmit laser signal in pointing a free-space optical communications terminal. This recently developed scheme enables the use of low-cost, commercial silicon-based sensors for tracking the direction of the transmit laser, regardless of the transmit wavelength. Compared with previous methods, the scheme offers some advantages of less mechanical and optical complexity and avoids expensive and exotic sensor technologies. In free-space optical communications, the transmit beam must be accurately pointed toward the receiver in order to maintain the communication link. The current approaches to achieve this function call for part of the transmit beam to be split off and projected onto an optical sensor used to infer the pointed direction. This requires that the optical sensor be sensitive to the wavelength of the transmit laser. If a different transmit wavelength is desired, for example to obtain a source capable of higher data rates, this can become quite impractical because of the unavailability or inefficiency of sensors at these wavelengths. The innovation proposed here decouples this requirement by allowing any transmit wavelength to be used with any sensor. We have applied this idea to a particular system that transmits at the standard telecommunication wavelength of 1,550 nm and uses a silicon-based sensor, sensitive from 0.5 to 1.0 micrometers, to determine the pointing direction. The scheme shown in the figure involves integrating a low-power 980-nm reference or boresight laser beam coupled to the 1,550-nm transmit beam via a wavelength-division-multiplexed fiber coupler. Both of these signals propagate through the optical fiber where they achieve an extremely high level of co-alignment before they are launched into the telescope. The telescope uses a dichroic beam splitter to reflect the 980- nm beam onto the silicon image sensor (a quad detector, charge-coupled device, or active-pixel-sensor array) while the 1,550- nm signal beam is transmitted through the optical assembly toward the remotely located receiver. Since the 980-nm reference signal originates from the same single-mode fiber-coupled source as the transmit signal, its position on the sensor is used to accurately determine the propagation direction of the transmit signal. The optics are considerably simpler in the proposed scheme due to the use of a single aperture for transmitting and receiving. Moreover, the issue of mechanical misalignment does not arise because the reference signal and transmitted laser beams are inherently co-aligned. The beam quality of the 980-nm reference signal used for tracking is required to be circularly symmetric and stable at the tracking-plane sensor array in order to minimize error in the centroiding algorithm of the pointing system. However, since the transmit signal is delivered through a fiber that supports a single mode at 1,550 nm, propagation of higher order 980-nm modes is possible. Preliminary analysis shows that the overall mode profile is dominated by the fundamental mode, giving a near symmetric profile. The instability of the mode was also measured and found to be negligible in comparison to the other error contributions in the centroid position on the sensor array.

Work life and mental well-being: single and coupled employed mothers in Southern Europe and Scandinavia.

PubMed

Bull, Torill

2009-09-01

Many European mothers, single and coupled, combine work outside the home and family life. The effects of this on their mental well-being may vary depending on the level of support available from the State's welfare system, since welfare may buffer working mothers from some of the stress that can arise from trying to manage significant responsibilities on the job and at home. Welfare may be especially important for single working mothers, for whom the burden of multiple roles may be even heavier. The present study assessed levels and predictors of well-being of single and coupled employed mothers in Greece, Portugal and Spain, where welfare support is relatively limited. Results were compared to a parallel study with data from Denmark, Norway and Sweden, where welfare support is relatively comprehensive. Coupled mothers in Scandinavia had significantly lower financial hardship, longer education, higher life satisfaction, more enriching jobs, practical support, financial support and social participation than coupled mothers in the Southern European sample. On the other hand, the Scandinavian coupled mothers had higher levels of work family conflict than coupled mothers in Southern Europe. Single mothers in Scandinavia, compared to single mothers in Southern Europe, had significantly longer education, higher life satisfaction and positive affect, more enriching jobs, confidant support, practical support, financial support and social participation. Level of job stress was the same for all mother groups. All groups differed significantly from each other in level of financial hardship, with Scandinavian coupled mothers being best off, followed by Scandinavian single mothers, Southern European coupled mothers, and Southern European single mothers. The regional differences suggest that single motherhood per se need not be a risk factor for poorer well-being, and that welfare policies may have a protective effect for the mental well-being of single mothers.

Using ARM Observations to Evaluate Climate Model Simulations of Land-Atmosphere Coupling on the U.S. Southern Great Plains

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

Phillips, Thomas J.; Klein, Stephen A.; Ma, Hsi -Yen

Several independent measurements of warm-season soil moisture and surface atmospheric variables recorded at the ARM Southern Great Plains (SGP) research facility are used to estimate the terrestrial component of land-atmosphere coupling (LAC) strength and its regional uncertainty. The observations reveal substantial variation in coupling strength, as estimated from three soil moisture measurements at a single site, as well as across six other sites having varied soil and land cover types. The observational estimates then serve as references for evaluating SGP terrestrial coupling strength in the Community Atmospheric Model coupled to the Community Land Model. These coupled model components are operatedmore » in both a free-running mode and in a controlled configuration, where the atmospheric and land states are reinitialized daily, so that they do not drift very far from observations. Although the controlled simulation deviates less from the observed surface climate than its free-running counterpart, the terrestrial LAC in both configurations is much stronger and displays less spatial variability than the SGP observational estimates. Preliminary investigation of vegetation leaf area index (LAI) substituted for soil moisture suggests that the overly strong coupling between model soil moisture and surface atmospheric variables is associated with too much evaporation from bare ground and too little from the vegetation cover. Lastly, these results imply that model surface characteristics such as LAI, as well as the physical parameterizations involved in the coupling of the land and atmospheric components, are likely to be important sources of the problematical LAC behaviors.« less

Using ARM Observations to Evaluate Climate Model Simulations of Land-Atmosphere Coupling on the U.S. Southern Great Plains

DOE PAGES

Phillips, Thomas J.; Klein, Stephen A.; Ma, Hsi -Yen; ...

2017-10-13

Several independent measurements of warm-season soil moisture and surface atmospheric variables recorded at the ARM Southern Great Plains (SGP) research facility are used to estimate the terrestrial component of land-atmosphere coupling (LAC) strength and its regional uncertainty. The observations reveal substantial variation in coupling strength, as estimated from three soil moisture measurements at a single site, as well as across six other sites having varied soil and land cover types. The observational estimates then serve as references for evaluating SGP terrestrial coupling strength in the Community Atmospheric Model coupled to the Community Land Model. These coupled model components are operatedmore » in both a free-running mode and in a controlled configuration, where the atmospheric and land states are reinitialized daily, so that they do not drift very far from observations. Although the controlled simulation deviates less from the observed surface climate than its free-running counterpart, the terrestrial LAC in both configurations is much stronger and displays less spatial variability than the SGP observational estimates. Preliminary investigation of vegetation leaf area index (LAI) substituted for soil moisture suggests that the overly strong coupling between model soil moisture and surface atmospheric variables is associated with too much evaporation from bare ground and too little from the vegetation cover. Lastly, these results imply that model surface characteristics such as LAI, as well as the physical parameterizations involved in the coupling of the land and atmospheric components, are likely to be important sources of the problematical LAC behaviors.« less

A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes

NASA Astrophysics Data System (ADS)

Hajgató, B.; Szieberth, D.; Geerlings, P.; De Proft, F.; Deleuze, M. S.

2009-12-01

A benchmark theoretical study of the electronic ground state and of the vertical and adiabatic singlet-triplet (ST) excitation energies of benzene (n =1) and n-acenes (C4n+2H2n+4) ranging from naphthalene (n =2) to heptacene (n =7) is presented, on the ground of single- and multireference calculations based on restricted or unrestricted zero-order wave functions. High-level and large scale treatments of electronic correlation in the ground state are found to be necessary for compensating giant but unphysical symmetry-breaking effects in unrestricted single-reference treatments. The composition of multiconfigurational wave functions, the topologies of natural orbitals in symmetry-unrestricted CASSCF calculations, the T1 diagnostics of coupled cluster theory, and further energy-based criteria demonstrate that all investigated systems exhibit a A1g singlet closed-shell electronic ground state. Singlet-triplet (S0-T1) energy gaps can therefore be very accurately determined by applying the principles of a focal point analysis onto the results of a series of single-point and symmetry-restricted calculations employing correlation consistent cc-pVXZ basis sets (X=D, T, Q, 5) and single-reference methods [HF, MP2, MP3, MP4SDQ, CCSD, CCSD(T)] of improving quality. According to our best estimates, which amount to a dual extrapolation of energy differences to the level of coupled cluster theory including single, double, and perturbative estimates of connected triple excitations [CCSD(T)] in the limit of an asymptotically complete basis set (cc-pV∞Z), the S0-T1 vertical excitation energies of benzene (n =1) and n-acenes (n =2-7) amount to 100.79, 76.28, 56.97, 40.69, 31.51, 22.96, and 18.16 kcal/mol, respectively. Values of 87.02, 62.87, 46.22, 32.23, 24.19, 16.79, and 12.56 kcal/mol are correspondingly obtained at the CCSD(T)/cc-pV∞Z level for the S0-T1 adiabatic excitation energies, upon including B3LYP/cc-PVTZ corrections for zero-point vibrational energies. In line with the absence of Peierls distortions, extrapolations of results indicate a vanishingly small S0-T1 energy gap of 0 to ˜4 kcal/mol (˜0.17 eV) in the limit of an infinitely large polyacene.

Inversed Vernier effect based single-mode laser emission in coupled microdisks

PubMed Central

Li, Meng; Zhang, Nan; Wang, Kaiyang; Li, Jiankai; Xiao, Shumin; Song, Qinghai

2015-01-01

Recently, on-chip single-mode laser emissions in coupled microdisks have attracted considerable research attention due to their wide applications. While most of single-mode lasers in coupled microdisks or microrings have been qualitatively explained by either Vernier effect or inversed Vernier effect, none of them have been experimentally confirmed. Here, we studied the mechanism of single-mode laser operation in coupled microdisks. We found that the mode numbers had been significantly reduced to nearly single-mode within a large pumping power range from threshold to gain saturation. The detail laser spectra showed that the largest gain and the first lasing peak were mainly generated by one disk and the laser intensity was proportional to the wavelength detuning of two set of modes. The corresponding theoretical analysis showed that the experimental observations were dominated by internal coupling within one cavity, which was similar to the recently explored inversed Vernier effect in two coupled microrings. We believe our finding will be important for understanding the previous experimental findings and the development of on-chip single-mode laser. PMID:26330218

Efficient fiber-coupled single-photon source based on quantum dots in a photonic-crystal waveguide

PubMed Central

DAVEAU, RAPHAËL S.; BALRAM, KRISHNA C.; PREGNOLATO, TOMMASO; LIU, JIN; LEE, EUN H.; SONG, JIN D.; VERMA, VARUN; MIRIN, RICHARD; NAM, SAE WOO; MIDOLO, LEONARDO; STOBBE, SØREN; SRINIVASAN, KARTIK; LODAHL, PETER

2017-01-01

Many photonic quantum information processing applications would benefit from a high brightness, fiber-coupled source of triggered single photons. Here, we present a fiber-coupled photonic-crystal waveguide single-photon source relying on evanescent coupling of the light field from a tapered out-coupler to an optical fiber. A two-step approach is taken where the performance of the tapered out-coupler is recorded first on an independent device containing an on-chip reflector. Reflection measurements establish that the chip-to-fiber coupling efficiency exceeds 80 %. The detailed characterization of a high-efficiency photonic-crystal waveguide extended with a tapered out-coupling section is then performed. The corresponding overall single-photon source efficiency is 10.9 % ± 2.3 %, which quantifies the success probability to prepare an exciton in the quantum dot, couple it out as a photon in the waveguide, and subsequently transfer it to the fiber. The applied out-coupling method is robust, stable over time, and broadband over several tens of nanometers, which makes it a highly promising pathway to increase the efficiency and reliability of planar chip-based single-photon sources. PMID:28584859

A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

NASA Astrophysics Data System (ADS)

Li, Chenyang; Verma, Prakash; Hannon, Kevin P.; Evangelista, Francesco A.

2017-08-01

We propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree-Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

Ionic liquid-based single-drop microextraction/gas chromatographic/mass spectrometric determination of benzene, toluene, ethylbenzene and xylene isomers in waters.

PubMed

Aguilera-Herrador, Eva; Lucena, Rafael; Cárdenas, Soledad; Valcárcel, Miguel

2008-08-01

The direct coupling between ionic liquid-based single-drop microextraction and gas chromatography/mass spectrometry is proposed for the rapid and simple determination of benzene, toluene, ethylbenzene and xylenes isomers (BTEX) in water samples. The extraction procedure exploits not only the high affinity of the selected ionic liquid (1-methyl-3-octyl-imidazolium hexaflourophosphate) to these aromatic compounds but also its special properties like viscosity, low vapour pressure and immiscibility with water. All the variables involved in the extraction process have been studied in depth. The developed method allows the determination of these single-ring compounds in water under the reference concentration level fixed by the international legislation. In this case, limits of detection were in the range 20 ng L(-1) (obtained for benzene) and 91 ng L(-1) (for o-xylene). The repeatability of the proposed method, expressed as RSD (n=5), varied between 3.0% (o-xylene) and 5.2% (toluene).

Multiple-wavelength spectroscopic quantitation of light-absorbing species in scattering media

DOEpatents

Nathel, Howard; Cartland, Harry E.; Colston, Jr., Billy W.; Everett, Matthew J.; Roe, Jeffery N.

2000-01-01

An oxygen concentration measurement system for blood hemoglobin comprises a multiple-wavelength low-coherence optical light source that is coupled by single mode fibers through a splitter and combiner and focused on both a target tissue sample and a reference mirror. Reflections from both the reference mirror and from the depths of the target tissue sample are carried back and mixed to produce interference fringes in the splitter and combiner. The reference mirror is set such that the distance traversed in the reference path is the same as the distance traversed into and back from the target tissue sample at some depth in the sample that will provide light attenuation information that is dependent on the oxygen in blood hemoglobin in the target tissue sample. Two wavelengths of light are used to obtain concentrations. The method can be used to measure total hemoglobin concentration [Hb.sub.deoxy +Hb.sub.oxy ] or total blood volume in tissue and in conjunction with oxygen saturation measurements from pulse oximetry can be used to absolutely quantify oxyhemoglobin [HbO.sub.2 ] in tissue. The apparatus and method provide a general means for absolute quantitation of an absorber dispersed in a highly scattering medium.

A new venous infusion pathway monitoring system.

PubMed

Maki, Hiromichi; Yonezawa, Yoshiharu; Ogawa, Hidekuni; Ninomiya, Ishio; Sata, Koji; Hamada, Shingo; Caldwell, W Morton

2007-01-01

A new infusion catheter pathway monitoring system employing linear integrated circuits and a low-power 8-bit single chip microcomputer has been developed for hospital and home use. The sensor consists of coaxial three-layer conductive tapes wrapped around the polyvinyl chloride infusion tube. The inner tape is the main electrode, which records an AC (alternating current) voltage induced on the patient's body by electrostatic coupling from the normal 100 volt, 60 Hz AC power line wiring field in the patient's room. The outside tape layer is a reference electrode to monitor the AC voltage around the main electrode. The center tape layer is connected to system ground and functions as a shield. The microcomputer calculates the ratio of the induced AC voltages recorded by the main and reference electrodes and if the ratio indicates a detached infusion, alerts the nursing station, via the nurse call system or low transmitting power mobile phone.

Three-dimensional atlas of iron, copper, and zinc in the mouse cerebrum and brainstem.

PubMed

Hare, Dominic J; Lee, Jason K; Beavis, Alison D; van Gramberg, Amanda; George, Jessica; Adlard, Paul A; Finkelstein, David I; Doble, Philip A

2012-05-01

Atlases depicting molecular and functional features of the brain are becoming an integral part of modern neuroscience. In this study we used laser ablation-inductively coupled plasma-mass spectrometry (LA-ICPMS) to quantitatively measure iron (Fe), copper (Cu), and zinc (Zn) levels in a serially sectioned C57BL/6 mouse brain (cerebrum and brainstem). Forty-six sections were analyzed in a single experiment of approximately 158 h in duration. We constructed a 46-plate reference atlas by aligning quantified images of metal distribution with corresponding coronal sections from the Allen Mouse Brain Reference Atlas. The 46 plates were also used to construct three-dimensional models of Fe, Cu, and Zn distribution. This atlas represents the first reconstruction of quantitative trace metal distribution through the brain by LA-ICPMS and will facilitate the study of trace metals in the brain and help to elucidate their role in neurobiology.

Utilisation of ART in single women and lesbian couples since the 2010 change in Victorian legislation.

PubMed

Fiske, Emily; Weston, Gareth

2014-10-01

Enactment of the Assisted Reproductive Treatment Act (Vic) 2008 in January 2010 allowed single persons and same sex couples in Victoria to access reproductive treatments. A retrospective cohort analysis of Monash IVF patients was conducted to identify trends in Assisted Reproductive Technology (ART) use amongst single women and lesbian couples after January 2010. A 102.8% increase in the utilisation of ART was observed amongst the single women group and a 248.8% increase in the lesbian couple population. © 2014 The Royal Australian and New Zealand College of Obstetricians and Gynaecologists.

High frequency reference electrode

DOEpatents

Kronberg, J.W.

1994-05-31

A high frequency reference electrode for electrochemical experiments comprises a mercury-calomel or silver-silver chloride reference electrode with a layer of platinum around it and a layer of a chemically and electrically resistant material such as TEFLON around the platinum covering all but a small ring or halo' at the tip of the reference electrode, adjacent to the active portion of the reference electrode. The voltage output of the platinum layer, which serves as a redox electrode, and that of the reference electrode are coupled by a capacitor or a set of capacitors and the coupled output transmitted to a standard laboratory potentiostat. The platinum may be applied by thermal decomposition to the surface of the reference electrode. The electrode provides superior high-frequency response over conventional electrodes. 4 figs.

High frequency reference electrode

DOEpatents

Kronberg, James W.

1994-01-01

A high frequency reference electrode for electrochemical experiments comprises a mercury-calomel or silver-silver chloride reference electrode with a layer of platinum around it and a layer of a chemically and electrically resistant material such as TEFLON around the platinum covering all but a small ring or "halo" at the tip of the reference electrode, adjacent to the active portion of the reference electrode. The voltage output of the platinum layer, which serves as a redox electrode, and that of the reference electrode are coupled by a capacitor or a set of capacitors and the coupled output transmitted to a standard laboratory potentiostat. The platinum may be applied by thermal decomposition to the surface of the reference electrode. The electrode provides superior high-frequency response over conventional electrodes.

Post hoc interlaboratory comparison of single particle ICP-MS size measurements of NIST gold nanoparticle reference materials.

PubMed

Montoro Bustos, Antonio R; Petersen, Elijah J; Possolo, Antonio; Winchester, Michael R

2015-09-01

Single particle inductively coupled plasma-mass spectrometry (spICP-MS) is an emerging technique that enables simultaneous measurement of nanoparticle size and number quantification of metal-containing nanoparticles at realistic environmental exposure concentrations. Such measurements are needed to understand the potential environmental and human health risks of nanoparticles. Before spICP-MS can be considered a mature methodology, additional work is needed to standardize this technique including an assessment of the reliability and variability of size distribution measurements and the transferability of the technique among laboratories. This paper presents the first post hoc interlaboratory comparison study of the spICP-MS technique. Measurement results provided by six expert laboratories for two National Institute of Standards and Technology (NIST) gold nanoparticle reference materials (RM 8012 and RM 8013) were employed. The general agreement in particle size between spICP-MS measurements and measurements by six reference techniques demonstrates the reliability of spICP-MS and validates its sizing capability. However, the precision of the spICP-MS measurement was better for the larger 60 nm gold nanoparticles and evaluation of spICP-MS precision indicates substantial variability among laboratories, with lower variability between operators within laboratories. Global particle number concentration and Au mass concentration recovery were quantitative for RM 8013 but significantly lower and with a greater variability for RM 8012. Statistical analysis did not suggest an optimal dwell time, because this parameter did not significantly affect either the measured mean particle size or the ability to count nanoparticles. Finally, the spICP-MS data were often best fit with several single non-Gaussian distributions or mixtures of Gaussian distributions, rather than the more frequently used normal or log-normal distributions.

Intercomparison of methods of coupling between convection and large-scale circulation. 1. Comparison over uniform surface conditions

DOE PAGES

Daleu, C. L.; Plant, R. S.; Woolnough, S. J.; ...

2015-10-24

Here, as part of an international intercomparison project, a set of single-column models (SCMs) and cloud-resolving models (CRMs) are run under the weak-temperature gradient (WTG) method and the damped gravity wave (DGW) method. For each model, the implementation of the WTG or DGW method involves a simulated column which is coupled to a reference state defined with profiles obtained from the same model in radiative-convective equilibrium. The simulated column has the same surface conditions as the reference state and is initialized with profiles from the reference state. We performed systematic comparison of the behavior of different models under a consistentmore » implementation of the WTG method and the DGW method and systematic comparison of the WTG and DGW methods in models with different physics and numerics. CRMs and SCMs produce a variety of behaviors under both WTG and DGW methods. Some of the models reproduce the reference state while others sustain a large-scale circulation which results in either substantially lower or higher precipitation compared to the value of the reference state. CRMs show a fairly linear relationship between precipitation and circulation strength. SCMs display a wider range of behaviors than CRMs. Some SCMs under the WTG method produce zero precipitation. Within an individual SCM, a DGW simulation and a corresponding WTG simulation can produce different signed circulation. When initialized with a dry troposphere, DGW simulations always result in a precipitating equilibrium state. The greatest sensitivities to the initial moisture conditions occur for multiple stable equilibria in some WTG simulations, corresponding to either a dry equilibrium state when initialized as dry or a precipitating equilibrium state when initialized as moist. Multiple equilibria are seen in more WTG simulations for higher SST. In some models, the existence of multiple equilibria is sensitive to some parameters in the WTG calculations.« less

Assisted reproduction in a cohort of same-sex male couples and single men.

PubMed

Grover, Stephanie A; Shmorgun, Ziva; Moskovtsev, Sergey I; Baratz, Ari; Librach, Clifford L

2013-08-01

To date, there is limited published data on same-sex male couples and single men using assisted reproduction treatment to build their families. The objective of this retrospective study was to better understand treatment considerations and outcomes for this population when using assisted reproduction treatment. A total of 37 same-sex male couples and eight single men (seven homosexual and one heterosexual) who attended the CReATe Fertility Centre for assisted reproduction services were studied. There was a 21-fold increase in the number of same-sex male couples and single men undergoing assisted reproduction treatment since 2003. The mean age was 46years (24-58). Twenty-eight couples (76%) chose to use spermatozoa from both partners to fertilize their donated oocytes. Most men (32 same-sex male couples and seven single men; 87%) obtained oocytes from an anonymous donor, whereas five couples and one single man (13%) had a known donor. Anonymous donors who were open to be contacted by the child after the age of 18 were selected by 67% of patients. Of all 25 deliveries, eight (32%) were sets of twins. All of the twins were half genetic siblings. Copyright © 2013 Reproductive Healthcare Ltd. Published by Elsevier Ltd. All rights reserved.

Single-photon-driven high-order sideband transitions in an ultrastrongly coupled circuit-quantum-electrodynamics system

NASA Astrophysics Data System (ADS)

Chen, Zhen; Wang, Yimin; Li, Tiefu; Tian, Lin; Qiu, Yueyin; Inomata, Kunihiro; Yoshihara, Fumiki; Han, Siyuan; Nori, Franco; Tsai, J. S.; You, J. Q.

2017-07-01

We report the experimental observation of high-order sideband transitions at the single-photon level in a quantum circuit system of a flux qubit ultrastrongly coupled to a coplanar waveguide resonator. With the coupling strength reaching 10% of the resonator's fundamental frequency, we obtain clear signatures of higher order red-sideband and first-order blue-sideband transitions, which are mainly due to the ultrastrong Rabi coupling. Our observation advances the understanding of ultrastrongly coupled systems and paves the way to study high-order processes in the quantum Rabi model at the single-photon level.

First principle calculations of effective exchange integrals: Comparison between SR (BS) and MR computational results

NASA Astrophysics Data System (ADS)

Yamaguchi, Kizashi; Nishihara, Satomichi; Saito, Toru; Yamanaka, Shusuke; Kitagawa, Yasutaka; Kawakami, Takashi; Yamada, Satoru; Isobe, Hiroshi; Okumura, Mitsutaka

2015-01-01

First principle calculations of effective exchange integrals (J) in the Heisenberg model for diradical species were performed by both symmetry-adapted (SA) multi-reference (MR) and broken-symmetry (BS) single reference (SR) methods. Mukherjee-type (Mk) state specific (SS) MR coupled-cluster (CC) calculations by the use of natural orbital (NO) references of ROHF, UHF, UDFT and CASSCF solutions were carried out to elucidate J values for di- and poly-radical species. Spin-unrestricted Hartree Fock (UHF) based coupled-cluster (CC) computations were also performed to these species. Comparison between UHF-NO(UNO)-MkMRCC and BS UHF-CC computational results indicated that spin-contamination of UHF-CC solutions still remains at the SD level. In order to eliminate the spin contamination, approximate spin-projection (AP) scheme was applied for UCC, and the AP procedure indeed corrected the error to yield good agreement with MkMRCC in energy. The CC double with spin-unrestricted Brueckner's orbital (UBD) was furthermore employed for these species, showing that spin-contamination involved in UHF solutions is largely suppressed, and therefore AP scheme for UBCCD removed easily the rest of spin-contamination. We also performed spin-unrestricted pure- and hybrid-density functional theory (UDFT) calculations of diradical and polyradical species. Three different computational schemes for total spin angular momentums were examined for the AP correction of the hybrid (H) UDFT. HUDFT calculations followed by AP, HUDFT(AP), yielded the S-T gaps that were qualitatively in good agreement with those of MkMRCCSD, UHF-CC(AP) and UB-CC(AP). Thus a systematic comparison among MkMRCCSD, UCC(AP) UBD(AP) and UDFT(AP) was performed concerning with the first principle calculations of J values in di- and poly-radical species. It was found that BS (AP) methods reproduce MkMRCCSD results, indicating their applicability to large exchange coupled systems.

A nanodiamond-tapered fiber system with high single-mode coupling efficiency.

PubMed

Schröder, Tim; Fujiwara, Masazumi; Noda, Tetsuya; Zhao, Hong-Quan; Benson, Oliver; Takeuchi, Shigeki

2012-05-07

We present a fiber-coupled diamond-based single photon system. Single nanodiamonds containing nitrogen vacancy defect centers are deposited on a tapered fiber of 273 nanometer in diameter providing a record-high number of 689,000 single photons per second from a defect center in a single-mode fiber. The system can be cooled to cryogenic temperatures and coupled evanescently to other nanophotonic structures, such as microresonators. The system is suitable for integrated quantum transmission experiments, two-photon interference, quantum-random-number generation and nano-magnetometry.

J-GFT NMR for precise measurement of mutually correlated nuclear spin-spin couplings.

PubMed

Atreya, Hanudatta S; Garcia, Erwin; Shen, Yang; Szyperski, Thomas

2007-01-24

G-matrix Fourier transform (GFT) NMR spectroscopy is presented for accurate and precise measurement of chemical shifts and nuclear spin-spin couplings correlated according to spin system. The new approach, named "J-GFT NMR", is based on a largely extended GFT NMR formalism and promises to have a broad impact on projection NMR spectroscopy. Specifically, constant-time J-GFT (6,2)D (HA-CA-CO)-N-HN was implemented for simultaneous measurement of five mutually correlated NMR parameters, that is, 15N backbone chemical shifts and the four one-bond spin-spin couplings 13Calpha-1Halpha, 13Calpha-13C', 15N-13C', and 15N-1HNu. The experiment was applied for measuring residual dipolar couplings (RDCs) in an 8 kDa protein Z-domain aligned with Pf1 phages. Comparison with RDC values extracted from conventional NMR experiments reveals that RDCs are measured with high precision and accuracy, which is attributable to the facts that (i) the use of constant time evolution ensures that signals do not broaden whenever multiple RDCs are jointly measured in a single dimension and (ii) RDCs are multiply encoded in the multiplets arising from the joint sampling. This corresponds to measuring the couplings multiple times in a statistically independent manner. A key feature of J-GFT NMR, i.e., the correlation of couplings according to spin systems without reference to sequential resonance assignments, promises to be particularly valuable for rapid identification of backbone conformation and classification of protein fold families on the basis of statistical analysis of dipolar couplings.

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.

Extraction of the gate capacitance coupling coefficient in floating gate non-volatile memories: Statistical study of the effect of mismatching between floating gate memory and reference transistor in dummy cell extraction methods

NASA Astrophysics Data System (ADS)

Rafhay, Quentin; Beug, M. Florian; Duane, Russell

2007-04-01

This paper presents an experimental comparison of dummy cell extraction methods of the gate capacitance coupling coefficient for floating gate non-volatile memory structures from different geometries and technologies. These results show the significant influence of mismatching floating gate devices and reference transistors on the extraction of the gate capacitance coupling coefficient. In addition, it demonstrates the accuracy of the new bulk bias dummy cell extraction method and the importance of the β function, introduced recently in [Duane R, Beug F, Mathewson A. Novel capacitance coupling coefficient measurement methodology for floating gate non-volatile memory devices. IEEE Electr Dev Lett 2005;26(7):507-9], to determine matching pairs of floating gate memory and reference transistor.

UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters

NASA Astrophysics Data System (ADS)

Kawakami, Takashi; Sano, Shinsuke; Saito, Toru; Sharma, Sandeep; Shoji, Mitsuo; Yamada, Satoru; Takano, Yu; Yamanaka, Shusuke; Okumura, Mitsutaka; Nakajima, Takahito; Yamaguchi, Kizashi

2017-09-01

Theoretical examinations of the ferromagnetic coupling in the m-phenylene-bis-methylene molecule and its oligomer were carried out. These systems are good candidates for exchange-coupled systems to investigate strong electronic correlations. We studied effective exchange integrals (J), which indicated magnetic coupling between interacting spins in these species. First, theoretical calculations based on a broken-symmetry single-reference procedure, i.e. the UHF, UMP2, UMP4, UCCSD(T) and UB3LYP methods, were carried out with a GAUSSIAN program code under an SR wave function. From these results, the J value by the UHF method was largely positive because of the strong ferromagnetic spin polarisation effect. The J value by the UCCSD(T) and UB3LYP methods improved an overestimation problem by correcting the dynamical electronic correlation. Next, magnetic coupling among these spins was studied using the CAS-based method of the symmetry-adapted multireference methods procedure. Thus, the UNO DMRG CASCI (UNO, unrestricted natural orbital; DMRG, density matrix renormalised group; CASCI, complete active space configuration interaction) method was mainly employed with a combination of ORCA and BLOCK program codes. DMRG CASCI calculations in valence electron counting, which included all orbitals to full valence CI, provided the most reliable result, and support the UB3LYP method for extended systems.

Partial microwave-assisted wet digestion of animal tissue using a baby-bottle sterilizer for analyte determination by inductively coupled plasma optical emission spectrometry

NASA Astrophysics Data System (ADS)

Matos, Wladiana O.; Menezes, Eveline A.; Gonzalez, Mário H.; Costa, Letícia M.; Trevizan, Lilian C.; Nogueira, Ana Rita A.

2009-06-01

A procedure for partial digestion of bovine tissue is proposed using polytetrafluoroethylene (PTFE) micro-vessels inside a baby-bottle sterilizer under microwave radiation for multi-element determination by inductively coupled plasma optical emission spectrometry (ICP OES). Samples were directly weighed in laboratory-made polytetrafluoroethylene vessels. Nitric acid and hydrogen peroxide were added to the uncovered vessels, which were positioned inside the baby-bottle sterilizer, containing 500 mL of water. The hydrogen peroxide volume was fixed at 100 µL. The system was placed in a domestic microwave oven and partial digestion was carried out for the determination of Ca, Cu, Fe, Mg, Mn and Zn by inductively coupled plasma optical emission spectrometry. The single-vessel approach was used in the entire procedure, to minimize contamination in trace analysis. Better recoveries and lower residual carbon content (RCC) levels were obtained under the conditions established through a 2 4-1 fractional factorial design: 650 W microwave power, 7 min digestion time, 50 µL nitric acid and 50 mg sample mass. The digestion efficiency was ascertained according to the residual carbon content determined by inductively coupled plasma optical emission spectrometry. The accuracy of the proposed procedure was checked against two certified reference materials.

Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elements

NASA Astrophysics Data System (ADS)

Sen, Sangita; Shee, Avijit; Mukherjee, Debashis

2018-02-01

The orbital relaxation attendant on ionization is particularly important for the core electron ionization potential (core IP) of molecules. The Unitary Group Adapted State Universal Coupled Cluster (UGA-SUMRCC) theory, recently formulated and implemented by Sen et al. [J. Chem. Phys. 137, 074104 (2012)], is very effective in capturing orbital relaxation accompanying ionization or excitation of both the core and the valence electrons [S. Sen et al., Mol. Phys. 111, 2625 (2013); A. Shee et al., J. Chem. Theory Comput. 9, 2573 (2013)] while preserving the spin-symmetry of the target states and using the neutral closed-shell spatial orbitals of the ground state. Our Ansatz invokes a normal-ordered exponential representation of spin-free cluster-operators. The orbital relaxation induced by a specific set of cluster operators in our Ansatz is good enough to eliminate the need for different sets of orbitals for the ground and the core-ionized states. We call the single configuration state function (CSF) limit of this theory the Unitary Group Adapted Open-Shell Coupled Cluster (UGA-OSCC) theory. The aim of this paper is to comprehensively explore the efficacy of our Ansatz to describe orbital relaxation, using both theoretical analysis and numerical performance. Whenever warranted, we also make appropriate comparisons with other coupled-cluster theories. A physically motivated truncation of the chains of spin-free T-operators is also made possible by the normal-ordering, and the operational resemblance to single reference coupled-cluster theory allows easy implementation. Our test case is the prediction of the 1s core IP of molecules containing a single light- to medium-heavy nucleus and thus, in addition to demonstrating the orbital relaxation, we have addressed the scalar relativistic effects on the accuracy of the IPs by using a hierarchy of spin-free Hamiltonians in conjunction with our theory. Additionally, the contribution of the spin-free component of the two-electron Gaunt term, not usually taken into consideration, has been estimated at the Self-Consistent Field (ΔSCF) level and is found to become increasingly important and eventually quite prominent for molecules with third period atoms and below. The accuracies of the IPs computed using UGA-OSCC are found to be of the same order as the Coupled Cluster Singles Doubles (ΔCCSD) values while being free from spin contamination. Since the UGA-OSCC uses a common set of orbitals for the ground state and the ion, it obviates the need of two N5 AO to MO transformation in contrast to the ΔCCSD method.

Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elements.

PubMed

Sen, Sangita; Shee, Avijit; Mukherjee, Debashis

2018-02-07

The orbital relaxation attendant on ionization is particularly important for the core electron ionization potential (core IP) of molecules. The Unitary Group Adapted State Universal Coupled Cluster (UGA-SUMRCC) theory, recently formulated and implemented by Sen et al. [J. Chem. Phys. 137, 074104 (2012)], is very effective in capturing orbital relaxation accompanying ionization or excitation of both the core and the valence electrons [S. Sen et al., Mol. Phys. 111, 2625 (2013); A. Shee et al., J. Chem. Theory Comput. 9, 2573 (2013)] while preserving the spin-symmetry of the target states and using the neutral closed-shell spatial orbitals of the ground state. Our Ansatz invokes a normal-ordered exponential representation of spin-free cluster-operators. The orbital relaxation induced by a specific set of cluster operators in our Ansatz is good enough to eliminate the need for different sets of orbitals for the ground and the core-ionized states. We call the single configuration state function (CSF) limit of this theory the Unitary Group Adapted Open-Shell Coupled Cluster (UGA-OSCC) theory. The aim of this paper is to comprehensively explore the efficacy of our Ansatz to describe orbital relaxation, using both theoretical analysis and numerical performance. Whenever warranted, we also make appropriate comparisons with other coupled-cluster theories. A physically motivated truncation of the chains of spin-free T-operators is also made possible by the normal-ordering, and the operational resemblance to single reference coupled-cluster theory allows easy implementation. Our test case is the prediction of the 1s core IP of molecules containing a single light- to medium-heavy nucleus and thus, in addition to demonstrating the orbital relaxation, we have addressed the scalar relativistic effects on the accuracy of the IPs by using a hierarchy of spin-free Hamiltonians in conjunction with our theory. Additionally, the contribution of the spin-free component of the two-electron Gaunt term, not usually taken into consideration, has been estimated at the Self-Consistent Field (ΔSCF) level and is found to become increasingly important and eventually quite prominent for molecules with third period atoms and below. The accuracies of the IPs computed using UGA-OSCC are found to be of the same order as the Coupled Cluster Singles Doubles (ΔCCSD) values while being free from spin contamination. Since the UGA-OSCC uses a common set of orbitals for the ground state and the ion, it obviates the need of two N 5 AO to MO transformation in contrast to the ΔCCSD method.

Online Coupling of Flow-Field Flow Fractionation and Single Particle Inductively Coupled Plasma-Mass Spectrometry: Characterization of Nanoparticle Surface Coating Thickness and Aggregation State

EPA Science Inventory

Surface coating thickness and aggregation state have strong influence on the environmental fate, transport, and toxicity of engineered nanomaterials. In this study, flow-field flow fractionation coupled on-line with single particle inductively coupled plasma-mass spectrometry i...

Depression: The Differing Narratives of Couples in Couple Therapy

ERIC Educational Resources Information Center

Rautiainen, Eija-Liisa; Aaltonen, Jukka

2010-01-01

How does the spouse of a person with depression take part in constructing narratives of depression in couple therapy? In this study we examined couples' ways of co-constructing narratives of depression in couple therapy. Three couple therapy processes were chosen for the study, one spouse in each couple having been referred to an outpatient clinic…

Construction of a pulse-coupled dipole network capable of fear-like and relief-like responses

NASA Astrophysics Data System (ADS)

Lungsi Sharma, B.

2016-07-01

The challenge for neuroscience as an interdisciplinary programme is the integration of ideas among the disciplines to achieve a common goal. This paper deals with the problem of deriving a pulse-coupled neural network that is capable of demonstrating behavioural responses (fear-like and relief-like). Current pulse-coupled neural networks are designed mostly for engineering applications, particularly image processing. The discovered neural network was constructed using the method of minimal anatomies approach. The behavioural response of a level-coded activity-based model was used as a reference. Although the spiking-based model and the activity-based model are of different scales, the use of model-reference principle means that the characteristics that is referenced is its functional properties. It is demonstrated that this strategy of dissection and systematic construction is effective in the functional design of pulse-coupled neural network system with nonlinear signalling. The differential equations for the elastic weights in the reference model are replicated in the pulse-coupled network geometrically. The network reflects a possible solution to the problem of punishment and avoidance. The network developed in this work is a new network topology for pulse-coupled neural networks. Therefore, the model-reference principle is a powerful tool in connecting neuroscience disciplines. The continuity of concepts and phenomena is further maintained by systematic construction using methods like the method of minimal anatomies.

Single and couple doping ZnO nanocrystals characterized by positron techniques

NASA Astrophysics Data System (ADS)

Pasang, Tenzin; Namratha, Keerthiraj; Guagliardo, Paul; Byrappa, Kullaiah; Ranganathaiah, Chikkakuntappa; Samarin, S.; Williams, J. F.

2015-04-01

Zinc oxide (ZnO) nanocrystals have been synthesized using a mild hydrothermal process using low temperatures and pressures with the advantages of free growth catalyst, low cost and alternative technology. Positron annihilation lifetime spectroscopy and coincidence Doppler broadening (CDB) spectroscopic methods have been used to investigate the roles of single- and co-dopants and native defects of the ZnO nanocrystals controlled by the synthesis process. It is shown that single Ag1+ and Pd2+ dopants occupy interstitial sites of the ZnO lattice and single Ru3+ doping replaces Zn vacancies substitutionally with a significant effect on the CDB momentum ratio curves when compared using ZnO as the reference spectrum. The co-doping of the ZnO lattice with (Sn4+ + Co2+) shows similar CDB ratios as Ru3+ single-doping. Also co-doping with (Ag1+ + Pd2+) or (Ag1+ + W6+) shows significant decreases in the band gap energy up to about 12.6% compared to single doping. The momentum ratio curves, referenced to undoped ZnO, indicate dopants in interstitial and substitutional sites. The presence of transition metal ions interstitially will trap electrons which resist the recombination of electrons and in turn affect the conductivity of the material.

Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra

NASA Astrophysics Data System (ADS)

Cukras, Janusz; Coriani, Sonia; Decleva, Piero; Christiansen, Ove; Norman, Patrick

2013-09-01

A recently implemented asymmetric Lanczos algorithm for computing (complex) linear response functions within the coupled cluster singles (CCS), coupled cluster singles and iterative approximate doubles (CC2), and coupled cluster singles and doubles (CCSD) is coupled to a Stieltjes imaging technique in order to describe the photoionization cross section of atoms and molecules, in the spirit of a similar procedure recently proposed by Averbukh and co-workers within the Algebraic Diagrammatic Construction approach. Pilot results are reported for the atoms He, Ne, and Ar and for the molecules H2, H2O, NH3, HF, CO, and CO2.

Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra.

PubMed

Cukras, Janusz; Coriani, Sonia; Decleva, Piero; Christiansen, Ove; Norman, Patrick

2013-09-07

A recently implemented asymmetric Lanczos algorithm for computing (complex) linear response functions within the coupled cluster singles (CCS), coupled cluster singles and iterative approximate doubles (CC2), and coupled cluster singles and doubles (CCSD) is coupled to a Stieltjes imaging technique in order to describe the photoionization cross section of atoms and molecules, in the spirit of a similar procedure recently proposed by Averbukh and co-workers within the Algebraic Diagrammatic Construction approach. Pilot results are reported for the atoms He, Ne, and Ar and for the molecules H2, H2O, NH3, HF, CO, and CO2.

Radiative transfer modelling inside thermal protection system using hybrid homogenization method for a backward Monte Carlo method coupled with Mie theory

NASA Astrophysics Data System (ADS)

Le Foll, S.; André, F.; Delmas, A.; Bouilly, J. M.; Aspa, Y.

2012-06-01

A backward Monte Carlo method for modelling the spectral directional emittance of fibrous media has been developed. It uses Mie theory to calculate the radiative properties of single fibres, modelled as infinite cylinders, and the complex refractive index is computed by a Drude-Lorenz model for the dielectric function. The absorption and scattering coefficient are homogenised over several fibres, but the scattering phase function of a single one is used to determine the scattering direction of energy inside the medium. Sensitivity analysis based on several Monte Carlo results has been performed to estimate coefficients for a Multi-Linear Model (MLM) specifically developed for inverse analysis of experimental data. This model concurs with the Monte Carlo method and is highly computationally efficient. In contrast, the surface emissivity model, which assumes an opaque medium, shows poor agreement with the reference Monte Carlo calculations.

Positioning system for single or multi-axis sensitive instrument calibration and calibration system for use therewith

NASA Technical Reports Server (NTRS)

Finley, Tom D. (Inventor); Parker, Peter A. (Inventor)

2008-01-01

A positioning and calibration system are provided for use in calibrating a single or multi axis sensitive instrument, such as an inclinometer. The positioning system includes a positioner that defines six planes of tangential contact. A mounting region within the six planes is adapted to have an inclinometer coupled thereto. The positioning system also includes means for defining first and second flat surfaces that are approximately perpendicular to one another with the first surface adapted to be oriented relative to a local or induced reference field of interest to the instrument being calibrated, such as a gravitational vector. The positioner is positioned such that one of its six planes tangentially rests on the first flat surface and another of its six planes tangentially contacts the second flat surface. A calibration system is formed when the positioning system is used with a data collector and processor.

Positive ions of the first- and second-row transition metal hydrides

NASA Technical Reports Server (NTRS)

Pettersson, Lars G. M.; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Partridge, Harry

1987-01-01

Theoretical dissociation energies for the first- and second-row transition metal hydride positive ions are critically compared against recent experimental values obtained from ion beam reactive scattering methods. Theoretical spectroscopic parameters and dipole moments are presented for the ground and several low-lying excited states. The calculations employ large Gaussian basis sets and account for electron correlation using the single-reference single- and double-excitation configuration interaction and coupled-pair-functional methods. The Darwin and mass-velocity contributions to the relativistic energy are included in the all-electron calculations on the first-row systems using first-order perturbation theory, and in the second-row systems using the Hay and Wadt relativistic effective core potentials. The theoretical D(0) values for the second-row transition metal hydride positive ions should provide a critical measure of the experimental values, which are not as refined as many of those in the first transition row.

Giant amplification in degenerate band edge slow-wave structures interacting with an electron beam

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

Othman, Mohamed A. K.; Veysi, Mehdi; Capolino, Filippo

2016-03-15

We propose a new amplification regime based on a synchronous operation of four degenerate electromagnetic (EM) modes in a slow-wave structure and the electron beam, referred to as super synchronization. These four EM modes arise in a Fabry-Pérot cavity when degenerate band edge (DBE) condition is satisfied. The modes interact constructively with the electron beam resulting in superior amplification. In particular, much larger gains are achieved for smaller beam currents compared to conventional structures based on synchronization with only a single EM mode. We demonstrate giant gain scaling with respect to the length of the slow-wave structure compared to conventionalmore » Pierce type single mode traveling wave tube amplifiers. We construct a coupled transmission line model for a loaded waveguide slow-wave structure exhibiting a DBE, and investigate the phenomenon of giant gain via super synchronization using the Pierce model generalized to multimode interaction.« less

Single-step solubilization of milk samples with N,N-dimethylformamide for inductively coupled plasma-mass spectrometry analysis and classification based on their elemental composition.

PubMed

Azcarate, Silvana M; Savio, Marianela; Smichowski, Patricia; Martinez, Luis D; Camiña, José M; Gil, Raúl A

2015-10-01

A single-step procedure for trace elements analysis of milk samples is presented. Solubilization with small amounts of dymethylformamide (DMF) was assayed prior to inductively coupled plasma mass spectrometry (ICPMS) detection with a high efficiency sample introduction system. All main instrumental conditions were optimized in order to readily introduce the samples without matrix elimination. In order to assess and mitigate matrix effects in the determination of As, Cd, Co, Cu, Eu, Ga, Gd, Ge, Mn, Mo, Nb, Nd, Ni, Pb, Pr, Rb, Sm, S, Sr, Ta, Tb, V, Zn, and Zr, matrix matching calibration with (103)Rh as internal standard (IS) was performed. The obtained limits of detection were between 0.68 (Tb) and 30 (Zn) μg L(-1). For accuracy verification, certified Skim milk powder reference material (BCR 063R) was employed. The developed method was applied to trace elements analysis of commercially available milks. Principal components analysis was used to correlate the content of trace metals with the kind of milk, obtaining a classification according to adults, baby or baby fortified milks. The outcomes highlight a simple and fast approach that could be trustworthy for routine analysis, quality control and traceability of milks. Copyright © 2015 Elsevier B.V. All rights reserved.

Dual-wavelength single-frequency laser emission in asymmetric coupled microdisks

PubMed Central

Wang, Haotian; Liu, Sheng; Chen, Lin; Shen, Deyuan; Wu, Xiang

2016-01-01

The gain and loss in a microcavity laser play an important role for the modulation of laser spectrum. We show that dual-wavelength single mode lasing can be achieved in an asymmetric coupled system consisted of two size-mismatched microdisks. The amount of eigenmodes in this coupled-microdisk system is reduced relying on the Vernier effect. Then a single mode is selected to lase by controlling the gain branching in the supermodes. The supermodes are formed by the coupling between different transverse whispering-gallery modes (WGMs). When the gain/loss status between the two mirodisks is changed through selectively pumping process, the modulated gain branching for various supermodes leads to the switchable single-frequency laser emission. The results obtained in this work will provide the further understand for the spectral modulation mechanism in the coupled microcavity laser system. PMID:27905506

Reference tissue modeling with parameter coupling: application to a study of SERT binding in HIV

NASA Astrophysics Data System (ADS)

Endres, Christopher J.; Hammoud, Dima A.; Pomper, Martin G.

2011-04-01

When applicable, it is generally preferred to evaluate positron emission tomography (PET) studies using a reference tissue-based approach as that avoids the need for invasive arterial blood sampling. However, most reference tissue methods have been shown to have a bias that is dependent on the level of tracer binding, and the variability of parameter estimates may be substantially affected by noise level. In a study of serotonin transporter (SERT) binding in HIV dementia, it was determined that applying parameter coupling to the simplified reference tissue model (SRTM) reduced the variability of parameter estimates and yielded the strongest between-group significant differences in SERT binding. The use of parameter coupling makes the application of SRTM more consistent with conventional blood input models and reduces the total number of fitted parameters, thus should yield more robust parameter estimates. Here, we provide a detailed evaluation of the application of parameter constraint and parameter coupling to [11C]DASB PET studies. Five quantitative methods, including three methods that constrain the reference tissue clearance (kr2) to a common value across regions were applied to the clinical and simulated data to compare measurement of the tracer binding potential (BPND). Compared with standard SRTM, either coupling of kr2 across regions or constraining kr2 to a first-pass estimate improved the sensitivity of SRTM to measuring a significant difference in BPND between patients and controls. Parameter coupling was particularly effective in reducing the variance of parameter estimates, which was less than 50% of the variance obtained with standard SRTM. A linear approach was also improved when constraining kr2 to a first-pass estimate, although the SRTM-based methods yielded stronger significant differences when applied to the clinical study. This work shows that parameter coupling reduces the variance of parameter estimates and may better discriminate between-group differences in specific binding.

Accurate bond energies of hydrocarbons from complete basis set extrapolated multi-reference singles and doubles configuration interaction.

PubMed

Oyeyemi, Victor B; Pavone, Michele; Carter, Emily A

2011-12-09

Quantum chemistry has become one of the most reliable tools for characterizing the thermochemical underpinnings of reactions, such as bond dissociation energies (BDEs). The accurate prediction of these particular properties (BDEs) are challenging for ab initio methods based on perturbative corrections or coupled cluster expansions of the single-determinant Hartree-Fock wave function: the processes of bond breaking and forming are inherently multi-configurational and require an accurate description of non-dynamical electron correlation. To this end, we present a systematic ab initio approach for computing BDEs that is based on three components: 1) multi-reference single and double excitation configuration interaction (MRSDCI) for the electronic energies; 2) a two-parameter scheme for extrapolating MRSDCI energies to the complete basis set limit; and 3) DFT-B3LYP calculations of minimum-energy structures and vibrational frequencies to account for zero point energy and thermal corrections. We validated our methodology against a set of reliable experimental BDE values of CC and CH bonds of hydrocarbons. The goal of chemical accuracy is achieved, on average, without applying any empirical corrections to the MRSDCI electronic energies. We then use this composite scheme to make predictions of BDEs in a large number of hydrocarbon molecules for which there are no experimental data, so as to provide needed thermochemical estimates for fuel molecules. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

A hybridizable discontinuous Galerkin method for modeling fluid-structure interaction

NASA Astrophysics Data System (ADS)

Sheldon, Jason P.; Miller, Scott T.; Pitt, Jonathan S.

2016-12-01

This work presents a novel application of the hybridizable discontinuous Galerkin (HDG) finite element method to the multi-physics simulation of coupled fluid-structure interaction (FSI) problems. Recent applications of the HDG method have primarily been for single-physics problems including both solids and fluids, which are necessary building blocks for FSI modeling. Utilizing these established models, HDG formulations for linear elastostatics, a nonlinear elastodynamic model, and arbitrary Lagrangian-Eulerian Navier-Stokes are derived. The elasticity formulations are written in a Lagrangian reference frame, with the nonlinear formulation restricted to hyperelastic materials. With these individual solid and fluid formulations, the remaining challenge in FSI modeling is coupling together their disparate mathematics on the fluid-solid interface. This coupling is presented, along with the resultant HDG FSI formulation. Verification of the component models, through the method of manufactured solutions, is performed and each model is shown to converge at the expected rate. The individual components, along with the complete FSI model, are then compared to the benchmark problems proposed by Turek and Hron [1]. The solutions from the HDG formulation presented in this work trend towards the benchmark as the spatial polynomial order and the temporal order of integration are increased.

A hybridizable discontinuous Galerkin method for modeling fluid–structure interaction

DOE PAGES

Sheldon, Jason P.; Miller, Scott T.; Pitt, Jonathan S.

2016-08-31

This study presents a novel application of the hybridizable discontinuous Galerkin (HDG) finite element method to the multi-physics simulation of coupled fluid–structure interaction (FSI) problems. Recent applications of the HDG method have primarily been for single-physics problems including both solids and fluids, which are necessary building blocks for FSI modeling. Utilizing these established models, HDG formulations for linear elastostatics, a nonlinear elastodynamic model, and arbitrary Lagrangian–Eulerian Navier–Stokes are derived. The elasticity formulations are written in a Lagrangian reference frame, with the nonlinear formulation restricted to hyperelastic materials. With these individual solid and fluid formulations, the remaining challenge in FSI modelingmore » is coupling together their disparate mathematics on the fluid–solid interface. This coupling is presented, along with the resultant HDG FSI formulation. Verification of the component models, through the method of manufactured solutions, is performed and each model is shown to converge at the expected rate. The individual components, along with the complete FSI model, are then compared to the benchmark problems proposed by Turek and Hron [1]. The solutions from the HDG formulation presented in this work trend towards the benchmark as the spatial polynomial order and the temporal order of integration are increased.« less

Coping Processes of Couples Experiencing Infertility

ERIC Educational Resources Information Center

Peterson, Brennan D.; Newton, Christopher R.; Rosen, Karen H.; Schulman, Robert S.

2006-01-01

This study explored the coping processes of couples experiencing infertility. Participants included 420 couples referred for advanced reproductive treatments. Couples were divided into groups based on the frequency of their use of eight coping strategies. Findings suggest that coping processes, which are beneficial to individuals, may be…

Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path.

PubMed

Varandas, A J C

2011-05-28

The minimum energy path for isomerization of HO(3) has been explored in detail using accurate high-level ab initio methods and techniques for extrapolation to the complete basis set limit. In agreement with other reports, the best estimates from both valence-only and all-electron single-reference methods here utilized predict the minimum of the cis-HO(3) isomer to be deeper than the trans-HO(3) one. They also show that the energy varies by less than 1 kcal mol(-1) or so over the full isomerization path. A similar result is found from valence-only multireference configuration interaction calculations with the size-extensive Davidson correction and a correlation consistent triple-zeta basis, which predict the energy difference between the two isomers to be of only Δ = -0.1 kcal mol(-1). However, single-point multireference calculations carried out at the optimum triple-zeta geometry with basis sets of the correlation consistent family but cardinal numbers up to X = 6 lead upon a dual-level extrapolation to the complete basis set limit of Δ = (0.12 ± 0.05) kcal mol(-1). In turn, extrapolations with the all-electron single-reference coupled-cluster method including the perturbative triples correction yield values of Δ = -0.19 and -0.03 kcal mol(-1) when done from triple-quadruple and quadruple-quintuple zeta pairs with two basis sets of increasing quality, namely cc-cpVXZ and aug-cc-pVXZ. Yet, if added a value of 0.25 kcal mol(-1) that accounts for the effect of triple and perturbative quadruple excitations with the VTZ basis set, one obtains a coupled cluster estimate of Δ = (0.14 ± 0.08) kcal mol(-1). It is then shown for the first time from systematic ab initio calculations that the trans-HO(3) isomer is more stable than the cis one, in agreement with the available experimental evidence. Inclusion of the best reported zero-point energy difference (0.382 kcal mol(-1)) from multireference configuration interaction calculations enhances further the relative stability to ΔE(ZPE) = (0.51 ± 0.08) kcal mol(-1). A scheme is also suggested to model the full-dimensional isomerization potential-energy surface using a quadratic expansion that is parametrically represented by a Fourier analysis in the torsion angle. The method illustrated at the raw and complete basis-set limit coupled-cluster levels can provide a valuable tool for a future analysis of the available (incomplete thus far) experimental rovibrational data. This journal is © the Owner Societies 2011

Search for anomalous top-quark couplings with the D0 detector.

PubMed

Abazov, V M; Abbott, B; Abolins, M; Acharya, B S; Adams, M; Adams, T; Aguilo, E; Ahsan, M; Alexeev, G D; Alkhazov, G; Alton, A; Alverson, G; Alves, G A; Anastasoaie, M; Ancu, L S; Andeen, T; Andrieu, B; Anzelc, M S; Aoki, M; Arnoud, Y; Arov, M; Arthaud, M; Askew, A; Asman, B; Assis Jesus, A C S; Atramentov, O; Avila, C; Backusmayes, J; Badaud, F; Bagby, L; Baldin, B; Bandurin, D V; Banerjee, P; Banerjee, S; Barberis, E; Barfuss, A-F; Bargassa, P; Baringer, P; Barreto, J; Bartlett, J F; Bassler, U; Bauer, D; Beale, S; Bean, A; Begalli, M; Begel, M; Belanger-Champagne, C; Bellantoni, L; Bellavance, A; Benitez, J A; Beri, S B; Bernardi, G; Bernhard, R; Bertram, I; Besançon, M; Beuselinck, R; Bezzubov, V A; Bhat, P C; Bhatnagar, V; Blazey, G; Blekman, F; Blessing, S; Bloom, K; Boehnlein, A; Boline, D; Bolton, T A; Boos, E E; Borissov, G; Bose, T; Brandt, A; Brock, R; Brooijmans, G; Bross, A; Brown, D; Bu, X B; Buchanan, N J; Buchholz, D; Buehler, M; Buescher, V; Bunichev, V; Burdin, S; Burnett, T H; Buszello, C P; Calfayan, P; Calpas, B; Calvet, S; Cammin, J; Carrasco-Lizarraga, M A; Carrera, E; Carvalho, W; Casey, B C K; Castilla-Valdez, H; Chakrabarti, S; Chakraborty, D; Chan, K M; Chandra, A; Cheu, E; Cho, D K; Choi, S; Choudhary, B; Christofek, L; Christoudias, T; Cihangir, S; Claes, D; Clutter, J; Cooke, M; Cooper, W E; Corcoran, M; Couderc, F; Cousinou, M-C; Crépé-Renaudin, S; Cuplov, V; Cutts, D; Cwiok, M; da Motta, H; Das, A; Davies, G; De, K; de Jong, S J; De La Cruz-Burelo, E; De Oliveira Martins, C; DeVaughan, K; Déliot, F; Demarteau, M; Demina, R; Denisov, D; Denisov, S P; Desai, S; Diehl, H T; Diesburg, M; Dominguez, A; Dorland, T; Dubey, A; Dudko, L V; Duflot, L; Dugad, S R; Duggan, D; Duperrin, A; Dutt, S; Dyer, J; Dyshkant, A; Eads, M; Edmunds, D; Ellison, J; Elvira, V D; Enari, Y; Eno, S; Ermolov, P; Escalier, M; Evans, H; Evdokimov, A; Evdokimov, V N; Ferapontov, A V; Ferbel, T; Fiedler, F; Filthaut, F; Fisher, W; Fisk, H E; Fortner, M; Fox, H; Fu, S; Fuess, S; Gadfort, T; Galea, C F; Garcia, C; Garcia-Bellido, A; Gavrilov, V; Gay, P; Geist, W; Geng, W; Gerber, C E; Gershtein, Y; Gillberg, D; Ginther, G; Gómez, B; Goussiou, A; Grannis, P D; Greenlee, H; Greenwood, Z D; Gregores, E M; Grenier, G; Gris, Ph; Grivaz, J-F; Grohsjean, A; Grünendahl, S; Grünewald, M W; Guo, F; Guo, J; Gutierrez, G; Gutierrez, P; Haas, A; Hadley, N J; Haefner, P; Hagopian, S; Haley, J; Hall, I; Hall, R E; Han, L; Harder, K; Harel, A; Hauptman, J M; Hays, J; Hebbeker, T; Hedin, D; Hegeman, J G; Heinson, A P; Heintz, U; Hensel, C; Herner, K; Hesketh, G; Hildreth, M D; Hirosky, R; Hoang, T; Hobbs, J D; Hoeneisen, B; Hohlfeld, M; Hossain, S; Houben, P; Hu, Y; Hubacek, Z; Huske, N; Hynek, V; Iashvili, I; Illingworth, R; Ito, A S; Jabeen, S; Jaffré, M; Jain, S; Jakobs, K; Jarvis, C; Jesik, R; Johns, K; Johnson, C; Johnson, M; Johnston, D; Jonckheere, A; Jonsson, P; Juste, A; Kajfasz, E; Karmanov, D; Kasper, P A; Katsanos, I; Kaushik, V; Kehoe, R; Kermiche, S; Khalatyan, N; Khanov, A; Kharchilava, A; Kharzheev, Y N; Khatidze, D; Kim, T J; Kirby, M H; Kirsch, M; Klima, B; Kohli, J M; Konrath, J-P; Kozelov, A V; Kraus, J; Kuhl, T; Kumar, A; Kupco, A; Kurca, T; Kuzmin, V A; Kvita, J; Lacroix, F; Lam, D; Lammers, S; Landsberg, G; Lebrun, P; Lee, W M; Leflat, A; Lellouch, J; Li, J; Li, L; Li, Q Z; Lietti, S M; Lim, J K; Lima, J G R; Lincoln, D; Linnemann, J; Lipaev, V V; Lipton, R; Liu, Y; Liu, Z; Lobodenko, A; Lokajicek, M; Love, P; Lubatti, H J; Luna-Garcia, R; Lyon, A L; Maciel, A K A; Mackin, D; Madaras, R J; Mättig, P; Magerkurth, A; Mal, P K; Malbouisson, H B; Malik, S; Malyshev, V L; Maravin, Y; Martin, B; McCarthy, R; Meijer, M M; Melnitchouk, A; Mendoza, L; Mercadante, P G; Merkin, M; Merritt, K W; Meyer, A; Meyer, J; Mitrevski, J; Mommsen, R K; Mondal, N K; Moore, R W; Moulik, T; Muanza, G S; Mulhearn, M; Mundal, O; Mundim, L; Nagy, E; Naimuddin, M; Narain, M; Neal, H A; Negret, J P; Neustroev, P; Nilsen, H; Nogima, H; Novaes, S F; Nunnemann, T; O'Neil, D C; Obrant, G; Ochando, C; Onoprienko, D; Oshima, N; Osman, N; Osta, J; Otec, R; Otero y Garzón, G J; Owen, M; Padilla, M; Padley, P; Pangilinan, M; Parashar, N; Park, S-J; Park, S K; Parsons, J; Partridge, R; Parua, N; Patwa, A; Pawloski, G; Penning, B; Perfilov, M; Peters, K; Peters, Y; Pétroff, P; Petteni, M; Piegaia, R; Piper, J; Pleier, M-A; Podesta-Lerma, P L M; Podstavkov, V M; Pogorelov, Y; Pol, M-E; Polozov, P; Pope, B G; Popov, A V; Potter, C; da Silva, W L Prado; Prosper, H B; Protopopescu, S; Qian, J; Quadt, A; Quinn, B; Rakitine, A; Rangel, M S; Ranjan, K; Ratoff, P N; Renkel, P; Rich, P; Rijssenbeek, M; Ripp-Baudot, I; Rizatdinova, F; Robinson, S; Rodrigues, R F; Rominsky, M; Royon, C; Rubinov, P; Ruchti, R; Safronov, G; Sajot, G; Sánchez-Hernández, A; Sanders, M P; Sanghi, B; Savage, G; Sawyer, L; Scanlon, T; Schaile, D; Schamberger, R D; Scheglov, Y; Schellman, H; Schliephake, T; Schlobohm, S; Schwanenberger, C; Schwienhorst, R; Sekaric, J; Severini, H; Shabalina, E; Shamim, M; Shary, V; Shchukin, A A; Shivpuri, R K; Siccardi, V; Simak, V; Sirotenko, V; Skubic, P; Slattery, P; Smirnov, D; Snow, G R; Snow, J; Snyder, S; Söldner-Rembold, S; Sonnenschein, L; Sopczak, A; Sosebee, M; Soustruznik, K; Spurlock, B; Stark, J; Stolin, V; Stoyanova, D A; Strandberg, J; Strandberg, S; Strang, M A; Strauss, E; Strauss, M; Ströhmer, R; Strom, D; Stutte, L; Sumowidagdo, S; Svoisky, P; Sznajder, A; Tanasijczuk, A; Taylor, W; Tiller, B; Tissandier, F; Titov, M; Tokmenin, V V; Torchiani, I; Tsybychev, D; Tuchming, B; Tully, C; Tuts, P M; Unalan, R; Uvarov, L; Uvarov, S; Uzunyan, S; Vachon, B; van den Berg, P J; Van Kooten, R; van Leeuwen, W M; Varelas, N; Varnes, E W; Vasilyev, I A; Verdier, P; Vertogradov, L S; Verzocchi, M; Vilanova, D; Villeneuve-Seguier, F; Vint, P; Vokac, P; Voutilainen, M; Wagner, R; Wahl, H D; Wang, M H L S; Warchol, J; Watts, G; Wayne, M; Weber, G; Weber, M; Welty-Rieger, L; Wenger, A; Wermes, N; Wetstein, M; White, A; Wicke, D; Williams, M R J; Wilson, G W; Wimpenny, S J; Wobisch, M; Wood, D R; Wyatt, T R; Xie, Y; Xu, C; Yacoob, S; Yamada, R; Yang, W-C; Yasuda, T; Yatsunenko, Y A; Ye, Z; Yin, H; Yip, K; Yoo, H D; Youn, S W; Yu, J; Zeitnitz, C; Zelitch, S; Zhao, T; Zhou, B; Zhu, J; Zielinski, M; Zieminska, D; Zivkovic, L; Zutshi, V; Zverev, E G

2009-03-06

Anomalous Wtb couplings modify the angular correlations of the top-quark decay products and change the single top-quark production cross section. We present limits on anomalous top-quark couplings by combining information from W boson helicity measurements in top-quark decays and anomalous coupling searches in the single top-quark final state. We set limits on right-handed vector couplings as well as left-handed and right-handed tensor couplings based on about 1 fb(-1) of data collected by the D0 experiment.

Circuit QED: generation of two-transmon-qutrit entangled states via resonant interaction

NASA Astrophysics Data System (ADS)

Ye, Xi-Mei; Zheng, Zhen-Fei; Lu, Dao-Ming; Yang, Chui-Ping

2018-04-01

We present a way to create entangled states of two superconducting transmon qutrits based on circuit QED. Here, a qutrit refers to a three-level quantum system. Since only resonant interaction is employed, the entanglement creation can be completed within a short time. The degree of entanglement for the prepared entangled state can be controlled by varying the weight factors of the initial state of one qutrit, which allows the prepared entangled state to change from a partially entangled state to a maximally entangled state. Because a single cavity is used, only resonant interaction is employed, and none of identical qutrit-cavity coupling constant, measurement, and auxiliary qutrit is needed, this proposal is easy to implement in experiments. The proposal is quite general and can be applied to prepare a two-qutrit partially or maximally entangled state with two natural or artificial atoms of a ladder-type level structure, coupled to an optical or microwave cavity.

Incommensurate Chirality Density Wave Transition in a Hybrid Molecular Framework.

PubMed

Hill, Joshua A; Christensen, Kirsten E; Goodwin, Andrew L

2017-09-15

Using single-crystal x-ray diffraction we characterize the 235 K incommensurate phase transition in the hybrid molecular framework tetraethylammonium silver(I) dicyanoargentate, [NEt_{4}]Ag_{3}(CN)_{4}. We demonstrate the transition to involve spontaneous resolution of chiral [NEt_{4}]^{+} conformations, giving rise to a state in which molecular chirality is incommensurately modulated throughout the crystal lattice. We refer to this state as an incommensurate chirality density wave (XDW) phase, which represents a fundamentally new type of chiral symmetry breaking in the solid state. Drawing on parallels to the incommensurate ferroelectric transition of NaNO_{2}, we suggest the XDW state arises through coupling between acoustic (shear) and molecular rotoinversion modes. Such coupling is symmetry forbidden at the Brillouin zone center but symmetry allowed for small but finite modulation vectors q=[0,0,q_{z}]^{*}. The importance of long-wavelength chirality modulations in the physics of this hybrid framework may have implications for the generation of mesoscale chiral textures, as required for advanced photonic materials.

Incommensurate Chirality Density Wave Transition in a Hybrid Molecular Framework

NASA Astrophysics Data System (ADS)

Hill, Joshua A.; Christensen, Kirsten E.; Goodwin, Andrew L.

2017-09-01

Using single-crystal x-ray diffraction we characterize the 235 K incommensurate phase transition in the hybrid molecular framework tetraethylammonium silver(I) dicyanoargentate, [NEt4]Ag3(CN )4 . We demonstrate the transition to involve spontaneous resolution of chiral [NEt4]+ conformations, giving rise to a state in which molecular chirality is incommensurately modulated throughout the crystal lattice. We refer to this state as an incommensurate chirality density wave (XDW) phase, which represents a fundamentally new type of chiral symmetry breaking in the solid state. Drawing on parallels to the incommensurate ferroelectric transition of NaNO2 , we suggest the XDW state arises through coupling between acoustic (shear) and molecular rotoinversion modes. Such coupling is symmetry forbidden at the Brillouin zone center but symmetry allowed for small but finite modulation vectors q =[0 ,0 ,qz]* . The importance of long-wavelength chirality modulations in the physics of this hybrid framework may have implications for the generation of mesoscale chiral textures, as required for advanced photonic materials.

Tethered lives: A couple-based perspective on the consequences of parenthood for time use, occupation, and wages.

PubMed

Killewald, Alexandra; García-Manglano, Javier

2016-11-01

Prior research on parenthood effects has typically used single-sex models and estimated average effects. By contrast, we estimate population-level variability in partners' changes in housework hours, paid work hours, occupation traits, and wages after becoming parents, and we explore whether one partner's adjustment offsets or supplements the other's. We find tradeoffs between spouses on paid work adjustments to parenthood, but complementarity in adjustments to housework hours, occupation traits, and wages. The effect of parenthood on wives' behaviors is larger and more variable than on husbands' behaviors in every domain. The modest variation between husbands in work responses to parenthood explains little of the variation in the motherhood penalty, while variation in wives' own behaviors plays a larger role. We refer to this pattern as tethered autonomy: variation across American couples in work responses to parenthood is shaped primarily by variation in wives' adjustments, while husbands' work acts largely as a fixed point. Copyright © 2016 Elsevier Inc. All rights reserved.

Optimization of GRIN lenses coupling system for twin-core fiber interconnection with single core fibers

NASA Astrophysics Data System (ADS)

Chen, Gongdai; Deng, Hongchang; Yuan, Libo

2018-07-01

We aim at a more compact, flexible, and simpler core-to-fiber coupling approach, optimal combinations of two graded refractive index (GRIN) lenses have been demonstrated for the interconnection between a twin-core single-mode fiber and two single-core single-mode fibers. The optimal two-lens combinations achieve an efficient core-to-fiber separating coupling and allow the fibers and lenses to coaxially assemble. Finally, axial deviations and transverse displacements of the components are discussed, and the latter increases the coupling loss more significantly. The gap length between the two lenses is designed to be fine-tuned to compensate for the transverse displacement, and the good linear compensation relationship contributes to the device manufacturing. This approach has potential applications in low coupling loss and low crosstalk devices without sophisticated alignment and adjustment, and enables the channel separating for multicore fibers.

Strong coupling of a single electron in silicon to a microwave photon

NASA Astrophysics Data System (ADS)

Mi, Xiao; Cady, Jeffrey; Zajac, David; Petta, Jason

We demonstrate a hybrid circuit quantum electrodynamics (cQED) architecture in which a single electron in a Si/SiGe double quantum dot is dipole-coupled to the electric field of microwave photons in a superconducting cavity. Vacuum Rabi splitting is observed in the cavity transmission when the transition energy of the single-electron charge qubit matches that of a cavity photon, demonstrating that our device is in the strong coupling regime. The achievement of strong coupling is largely facilitated by an exceptionally low charge decoherence rate of 5 MHz and paves the way toward a wide range of cQED experiments with quantum dots, such as non-local qubit interactions, strong spin-cavity coupling and single photon generation . Research sponsored by ARO Grant No. W911NF-15-1-0149, the Gordon and Betty Moore Foundation's EPiQS Initiative through Grant GBMF4535, and the NSF (DMR-1409556 and DMR-1420541).

Hybrid Circuit Quantum Electrodynamics: Coupling a Single Silicon Spin Qubit to a Photon

DTIC Science & Technology

2015-01-01

HYBRID CIRCUIT QUANTUM ELECTRODYNAMICS: COUPLING A SINGLE SILICON SPIN QUBIT TO A PHOTON PRINCETON UNIVERSITY JANUARY 2015 FINAL...SILICON SPIN QUBIT TO A PHOTON 5a. CONTRACT NUMBER FA8750-12-2-0296 5b. GRANT NUMBER N/A 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Jason R. Petta...architectures. 15. SUBJECT TERMS Quantum Computing, Quantum Hybrid Circuits, Quantum Electrodynamics, Coupling a Single Silicon Spin Qubit to a Photon

Fiber-Coupled Cavity-QED Source of Identical Single Photons

NASA Astrophysics Data System (ADS)

Snijders, H.; Frey, J. A.; Norman, J.; Post, V. P.; Gossard, A. C.; Bowers, J. E.; van Exter, M. P.; Löffler, W.; Bouwmeester, D.

2018-03-01

We present a fully fiber-coupled source of high-fidelity single photons. An (In,Ga)As semiconductor quantum dot is embedded in an optical Fabry-Perot microcavity with a robust design and rigidly attached single-mode fibers, which enables through-fiber cross-polarized resonant laser excitation and photon extraction. Even without spectral filtering, we observe that the incident coherent light pulses are transformed into a stream of single photons with high purity (97%) and indistinguishability (90%), which is measured at an in-fiber brightness of 5% with an excellent cavity-mode-to-fiber coupling efficiency of 85%. Our results pave the way for fully fiber-integrated photonic quantum networks. Furthermore, our method is equally applicable to fiber-coupled solid-state cavity-QED-based photonic quantum gates.

Photon antibunching from a single quantum-dot-microcavity system in the strong coupling regime.

PubMed

Press, David; Götzinger, Stephan; Reitzenstein, Stephan; Hofmann, Carolin; Löffler, Andreas; Kamp, Martin; Forchel, Alfred; Yamamoto, Yoshihisa

2007-03-16

We observe antibunching in the photons emitted from a strongly coupled single quantum dot and pillar microcavity in resonance. When the quantum dot was spectrally detuned from the cavity mode, the cavity emission remained antibunched, and also anticorrelated from the quantum dot emission. Resonant pumping of the selected quantum dot via an excited state enabled these observations by eliminating the background emitters that are usually coupled to the cavity. This device demonstrates an on-demand single-photon source operating in the strong coupling regime, with a Purcell factor of 61+/-7 and quantum efficiency of 97%.

Holograms for laser diode: Single mode optical fiber coupling

NASA Technical Reports Server (NTRS)

Fuhr, P. L.

1982-01-01

The low coupling efficiency of semiconductor laser emissions into a single mode optical fibers place a severe restriction on their use. Associated with these conventional optical coupling techniques are stringent alignment sensitivities. Using holographic elements, the coupling efficiency may be increased and the alignment sensitivity greatly reduced. Both conventional and computer methods used in the generation of the holographic couplers are described and diagrammed. The reconstruction geometries used are shown to be somewhat restrictive but substantially less rigid than their conventional optical counterparts. Single and double hologram techniques are examined concerning their respective ease of fabrication and relative merits.

Device and Method for Gathering Ensemble Data Sets

NASA Technical Reports Server (NTRS)

Racette, Paul E. (Inventor)

2014-01-01

An ensemble detector uses calibrated noise references to produce ensemble sets of data from which properties of non-stationary processes may be extracted. The ensemble detector comprising: a receiver; a switching device coupled to the receiver, the switching device configured to selectively connect each of a plurality of reference noise signals to the receiver; and a gain modulation circuit coupled to the receiver and configured to vary a gain of the receiver based on a forcing signal; whereby the switching device selectively connects each of the plurality of reference noise signals to the receiver to produce an output signal derived from the plurality of reference noise signals and the forcing signal.

The externally corrected coupled cluster approach with four- and five-body clusters from the CASSCF wave function.

PubMed

Xu, Enhua; Li, Shuhua

2015-03-07

An externally corrected CCSDt (coupled cluster with singles, doubles, and active triples) approach employing four- and five-body clusters from the complete active space self-consistent field (CASSCF) wave function (denoted as ecCCSDt-CASSCF) is presented. The quadruple and quintuple excitation amplitudes within the active space are extracted from the CASSCF wave function and then fed into the CCSDt-like equations, which can be solved in an iterative way as the standard CCSDt equations. With a size-extensive CASSCF reference function, the ecCCSDt-CASSCF method is size-extensive. When the CASSCF wave function is readily available, the computational cost of the ecCCSDt-CASSCF method scales as the popular CCSD method (if the number of active orbitals is small compared to the total number of orbitals). The ecCCSDt-CASSCF approach has been applied to investigate the potential energy surface for the simultaneous dissociation of two O-H bonds in H2O, the equilibrium distances and spectroscopic constants of 4 diatomic molecules (F2(+), O2(+), Be2, and NiC), and the reaction barriers for the automerization reaction of cyclobutadiene and the Cl + O3 → ClO + O2 reaction. In most cases, the ecCCSDt-CASSCF approach can provide better results than the CASPT2 (second order perturbation theory with a CASSCF reference function) and CCSDT methods.

Three-Dimensional Imaging by Self-Reference Single-Channel Digital Incoherent Holography

PubMed Central

Rosen, Joseph; Kelner, Roy

2016-01-01

Digital holography offers a reliable and fast method to image a three-dimensional scene from a single perspective. This article reviews recent developments of self-reference single-channel incoherent hologram recorders. Hologram recorders in which both interfering beams, commonly referred to as the signal and the reference beams, originate from the same observed objects are considered as self-reference systems. Moreover, the hologram recorders reviewed herein are configured in a setup of a single channel interferometer. This unique configuration is achieved through the use of one or more spatial light modulators. PMID:28757811

Scanning gate imaging of two coupled quantum dots in single-walled carbon nanotubes.

PubMed

Zhou, Xin; Hedberg, James; Miyahara, Yoichi; Grutter, Peter; Ishibashi, Koji

2014-12-12

Two coupled single wall carbon nanotube quantum dots in a multiple quantum dot system were characterized by using a low temperature scanning gate microscopy (SGM) technique, at a temperature of 170 mK. The locations of single wall carbon nanotube quantum dots were identified by taking the conductance images of a single wall carbon nanotube contacted by two metallic electrodes. The single electron transport through single wall carbon nanotube multiple quantum dots has been observed by varying either the position or voltage bias of a conductive atomic force microscopy tip. Clear hexagonal patterns were observed in the region of the conductance images where only two sets of overlapping conductance rings are visible. The values of coupling capacitance over the total capacitance of the two dots, C(m)/C(1(2)) have been extracted to be 0.21 ∼ 0.27 and 0.23 ∼ 0.28, respectively. In addition, the interdot coupling (conductance peak splitting) has also been confirmed in both conductance image measurement and current-voltage curves. The results show that a SGM technique enables spectroscopic investigation of coupled quantum dots even in the presence of unexpected multiple quantum dots.

Coherently coupled high-power fiber arrays

NASA Astrophysics Data System (ADS)

Anderegg, Jesse; Brosnan, Stephen; Cheung, Eric; Epp, Paul; Hammons, Dennis; Komine, Hiroshi; Weber, Mark; Wickham, Michael

2006-02-01

A four-element fiber array has demonstrated 470 watts of coherently phased, linearly polarized light energy in a single far-field spot. Each element consists of a single-mode fiber-amplifier chain. Phase control of each element is achieved with a Lithium-Niobate phase modulator. A master laser provides a linearly polarized, narrow linewidth signal that is split into five channels. Four channels are individually amplified using polarization maintaining fiber power amplifiers. The fifth channel is used as a reference arm. It is frequency shifted and then combined interferometrically with a portion of each channel's signal. Detectors sense the heterodyne modulation signal, and an electronics circuit measures the relative phase for each channel. Compensating adjustments are then made to each channel's phase modulator. This effort represents the results of a multi-year effort to achieve high power from a single element fiber amplifier and to understand the important issues involved in coherently combining many individual elements to obtain sufficient optical power for directed energy weapons. Northrop Grumman Corporation and the High Energy Laser Joint Technology Office jointly sponsored this work.

On-Chip Waveguide Coupling of a Layered Semiconductor Single-Photon Source.

PubMed

Tonndorf, Philipp; Del Pozo-Zamudio, Osvaldo; Gruhler, Nico; Kern, Johannes; Schmidt, Robert; Dmitriev, Alexander I; Bakhtinov, Anatoly P; Tartakovskii, Alexander I; Pernice, Wolfram; Michaelis de Vasconcellos, Steffen; Bratschitsch, Rudolf

2017-09-13

Fully integrated quantum technology based on photons is in the focus of current research, because of its immense potential concerning performance and scalability. Ideally, the single-photon sources, the processing units, and the photon detectors are all combined on a single chip. Impressive progress has been made for on-chip quantum circuits and on-chip single-photon detection. In contrast, nonclassical light is commonly coupled onto the photonic chip from the outside, because presently only few integrated single-photon sources exist. Here, we present waveguide-coupled single-photon emitters in the layered semiconductor gallium selenide as promising on-chip sources. GaSe crystals with a thickness below 100 nm are placed on Si 3 N 4 rib or slot waveguides, resulting in a modified mode structure efficient for light coupling. Using optical excitation from within the Si 3 N 4 waveguide, we find nonclassicality of generated photons routed on the photonic chip. Thus, our work provides an easy-to-implement and robust light source for integrated quantum technology.

ARTSY-J: Convenient and precise measurement of 3JHNHα couplings in medium-size proteins from TROSY-HSQC spectra

NASA Astrophysics Data System (ADS)

Roche, Julien; Ying, Jinfa; Shen, Yang; Torchia, Dennis A.; Bax, Ad

2016-07-01

A new and convenient method, named ARTSY-J, is introduced that permits extraction of the 3JHNHα couplings in proteins from the relative intensities in a pair of 15N-1H TROSY-HSQC spectra. The pulse scheme includes 3JHNHα dephasing of the narrower TROSY 1HN-{15N} doublet component during a delay, integrated into the regular two-dimensional TROSY-HSQC pulse scheme, and compares the obtained intensity with a reference spectrum where 3JHNHα dephasing is suppressed. The effect of passive 1Hα spin flips downscales the apparent 3JHNHα coupling by a uniform factor that depends approximately linearly on both the duration of the 3JHNHα dephasing delay and the 1H-1H cross relaxation rate. Using such a correction factor, which accounts for the effects of both inhomogeneity of the radiofrequency field and 1Hα spin flips, agreement between prior and newly measured values for the small model protein GB3 is better than 0.3 Hz. Measurement for the HIV-1 protease homodimer (22 kDa) yields 3JHNHα values that agree to better than 0.7 Hz with predictions made on the basis of a previously parameterized Karplus equation. Although for Gly residues the two individual 3JHNHα couplings cannot be extracted from a single set of ARTSY-J spectra, the measurement provides valuable ϕ angle information.

Cooling in the single-photon strong-coupling regime of cavity optomechanics

NASA Astrophysics Data System (ADS)

Nunnenkamp, A.; Børkje, K.; Girvin, S. M.

2012-05-01

In this Rapid Communication we discuss how red-sideband cooling is modified in the single-photon strong-coupling regime of cavity optomechanics where the radiation pressure of a single photon displaces the mechanical oscillator by more than its zero-point uncertainty. Using Fermi's golden rule we calculate the transition rates induced by the optical drive without linearizing the optomechanical interaction. In the resolved-sideband limit we find multiple-phonon cooling resonances for strong single-photon coupling that lead to nonthermal steady states including the possibility of phonon antibunching. Our study generalizes the standard linear cooling theory.

Radio frequency coupling apparatus and method for measuring minority carrier lifetimes in semiconductor materials

DOEpatents

Johnston, Steven W.; Ahrenkiel, Richard K.

2002-01-01

An apparatus for measuring the minority carrier lifetime of a semiconductor sample using radio-frequency coupling. The measuring apparatus includes an antenna that is positioned a coupling distance from a semiconductor sample which is exposed to light pulses from a laser during sampling operations. A signal generator is included to generate high frequency, such as 900 MHz or higher, sinusoidal waveform signals that are split into a reference signal and a sample signal. The sample signal is transmitted into a sample branch circuit where it passes through a tuning capacitor and a coaxial cable prior to reaching the antenna. The antenna is radio-frequency coupled with the adjacent sample and transmits the sample signal, or electromagnetic radiation corresponding to the sample signal, to the sample and receives reflected power or a sample-coupled-photoconductivity signal back. To lower impedance and speed system response, the impedance is controlled by limiting impedance in the coaxial cable and the antenna reactance. In one embodiment, the antenna is a waveguide/aperture hybrid antenna having a central transmission line and an adjacent ground flange. The sample-coupled-photoconductivity signal is then transmitted to a mixer which also receives the reference signal. To enhance the sensitivity of the measuring apparatus, the mixer is operated to phase match the reference signal and the sample-coupled-photoconductivity signal.

A new venous infusion path monitoring system utilizing electrostatic induced potential.

PubMed

Ogawa, Hidekuni; Yonezawa, Yoshiharu; Maki, Hiromichi; Caldwell, W Morton

2008-01-01

A new venous infusion pathway monitoring system has been developed for hospital and home use. The system consists of linear and digital integrated circuits and a low-power 8-bit single chip microcomputer which constantly monitors the infusion pathway intactness. A 330 kHz AC voltage, which is induced on the patient's body by electrostatic coupling from a 330 kHz pulse oscillator, can be recorded by main and reference electrodes wrapped around the infusion polyvinyl chloride tube. If the injection needle or infusion tube becomes detached, then the system detects changes in the induced AC voltages and alerts the nursing station, via the nurse call system or PHS (personal handy phone system).

Low-loss and single-mode tapered hollow-core waveguides optically coupled with interband and quantum cascade lasers

NASA Astrophysics Data System (ADS)

Giglio, Marilena; Patimisco, Pietro; Sampaolo, Angelo; Kriesel, Jason M.; Tittel, Frank K.; Spagnolo, Vincenzo

2018-01-01

We report single-mode midinfrared laser beam delivery through a 50-cm-long tapered hollow-core waveguide (HCW) having bore diameter linearly increasing from 200 to 260 μm. We performed theoretical calculations to identify the best HCW-laser coupling conditions in terms of optical losses and single-mode fiber output. To validate our modeling, we coupled the HCW with an interband cascade laser and four quantum cascade lasers with their emission wavelengths spanning 3.5 to 7.8 μm, using focusing lenses with different focal lengths. With the best coupling conditions, we achieved single-mode output in the investigated 3.5 to 7.8 μm spectral range, with minimum transmission losses of 1.27 dB at 6.2 μm.

Analysis and design of fiber-coupled high-power laser diode array

NASA Astrophysics Data System (ADS)

Zhou, Chongxi; Liu, Yinhui; Xie, Weimin; Du, Chunlei

2003-11-01

A conclusion that a single conventional optical system could not realize fiber coupled high-power laser diode array is drawn based on the BPP of laser beam. According to the parameters of coupled fiber, a method to couple LDA beams into a single multi-mode fiber including beams collimating, shaping, focusing and coupling is present. The divergence angles after collimating are calculated and analyzed; the shape equation of the collimating micro-lenses array is deprived. The focusing lens is designed. A fiber coupled LDA result with the core diameter of 800 um and numeric aperture of 0.37 is gotten.

Relativistic spin-orbit interactions of photons and electrons

NASA Astrophysics Data System (ADS)

Smirnova, D. A.; Travin, V. M.; Bliokh, K. Y.; Nori, F.

2018-04-01

Laboratory optics, typically dealing with monochromatic light beams in a single reference frame, exhibits numerous spin-orbit interaction phenomena due to the coupling between the spin and orbital degrees of freedom of light. Similar phenomena appear for electrons and other spinning particles. Here we examine transformations of paraxial photon and relativistic-electron states carrying the spin and orbital angular momenta (AM) under the Lorentz boosts between different reference frames. We show that transverse boosts inevitably produce a rather nontrivial conversion from spin to orbital AM. The converted part is then separated between the intrinsic (vortex) and extrinsic (transverse shift or Hall effect) contributions. Although the spin, intrinsic-orbital, and extrinsic-orbital parts all point in different directions, such complex behavior is necessary for the proper Lorentz transformation of the total AM of the particle. Relativistic spin-orbit interactions can be important in scattering processes involving photons, electrons, and other relativistic spinning particles, as well as when studying light emitted by fast-moving bodies.

Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials

NASA Astrophysics Data System (ADS)

Jin, Ye; Yang, Yang; Zhang, Du; Peng, Degao; Yang, Weitao

2017-10-01

The optimized effective potential (OEP) that gives accurate Kohn-Sham (KS) orbitals and orbital energies can be obtained from a given reference electron density. These OEP-KS orbitals and orbital energies are used here for calculating electronic excited states with the particle-particle random phase approximation (pp-RPA). Our calculations allow the examination of pp-RPA excitation energies with the exact KS density functional theory (DFT). Various input densities are investigated. Specifically, the excitation energies using the OEP with the electron densities from the coupled-cluster singles and doubles method display the lowest mean absolute error from the reference data for the low-lying excited states. This study probes into the theoretical limit of the pp-RPA excitation energies with the exact KS-DFT orbitals and orbital energies. We believe that higher-order correlation contributions beyond the pp-RPA bare Coulomb kernel are needed in order to achieve even higher accuracy in excitation energy calculations.

Comparative analysis of main bio-active components in the herb pair Danshen-Honghua and its single herbs by ultra-high performance liquid chromatography coupled to triple quadrupole tandem mass spectrometry.

PubMed

Qu, Cheng; Pu, Zong-Jin; Zhou, Gui-Sheng; Wang, Jun; Zhu, Zhen-Hua; Yue, Shi-Jun; Li, Jian-Ping; Shang, Li-Li; Tang, Yu-Ping; Shi, Xu-Qin; Liu, Pei; Guo, Jian-Ming; Sun, Jing; Tang, Zhi-Shu; Zhao, Jing; Zhao, Bu-Chang; Duan, Jin-Ao

2017-09-01

A sensitive, reliable, and powerful ultra-high performance liquid chromatography coupled to triple quadrupole tandem mass spectrometry method was developed for simultaneous quantification of the 15 main bio-active components including phenolic acids and flavonoids within 13 min for the first time. The proposed method was first reported and validated by good linearity (r 2  > 0.9975), limit of detection (1.12-7.01 ng/mL), limit of quantification (3.73-23.37 ng/mL), intra- and inter-day precisions (RSD ≤ 1.92%, RSD ≤ 2.45%), stability (RSD ≤ 5.63%), repeatability (RSD ≤ 4.34%), recovery (96.84-102.12%), and matrix effects (0.92-1.02). The established analytical methodology was successfully applied to comparative analysis of main bio-active components in the herb pair Danshen-Honghua and its single herbs. Compared to the single herb, the content of most flavonoid glycosides was remarkably increased in their herb pair, and main phenolic acids were decreased, conversely. The content changes of the main components in the herb pair supported the synergistic effects on promoting blood circulation and removing blood stasis. The results provide a scientific basis and reference for the quality control of Danshen-Honghua herb pair and the drug interactions based on variation of bio-active components in herb pairs. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of Xi'an-CI package – applying the hole–particle symmetry in multi-reference electronic correlation calculations

NASA Astrophysics Data System (ADS)

Suo, Bingbing; Lei, Yibo; Han, Huixian; Wang, Yubin

2018-04-01

This mini-review introduces our works on the Xi'an-CI (configuration interaction) package using graphical unitary group approach (GUGA). Taking advantage of the hole-particle symmetry in GUGA, the Galfand states used to span the CI space are classified into CI subspaces according to the number of holes and particles, and the coupling coefficients used to calculate Hamiltonian matrix elements could be factorised into the segment factors in the hole, active and external spaces. An efficient multi-reference CI with single and double excitations (MRCISD) algorithm is thus developed that reduces the storage requirement and increases the number of correlated electrons significantly. The hole-particle symmetry also gives rise to a doubly contracted MRCISD approach. Moreover, the internally contracted Gelfand states are defined within the CI subspace arising from the hole-particle symmetry, which makes the implementation of internally contracted MRCISD in the framework of GUGA possible. In addition to MRCISD, the development of multi-reference second-order perturbation theory (MRPT2) also benefits from the hole-particle symmetry. A configuration-based MRPT2 algorithm is proposed and extended to the multi-state n-electron valence-state second-order perturbation theory.

Determination of tellurium by hydride generation with in situ trapping flame atomic absorption spectrometry

NASA Astrophysics Data System (ADS)

Matusiewicz, Henryk; Krawczyk, Magdalena

2007-03-01

The analytical performance of coupled hydride generation — integrated atom trap (HG-IAT) atomizer flame atomic absorption spectrometry (FAAS) system was evaluated for determination of Te in reference material (GBW 07302 Stream Sediment), coal fly ash and garlic. Tellurium, using formation of H 2Te vapors, is atomized in air-acetylene flame-heated IAT. A new design HG-IAT-FAAS hyphenated technique that would exceed the operational capabilities of existing arrangements (a water-cooled single silica tube, double-slotted quartz tube or an "integrated trap") was investigated. An improvement in detection limit was achieved compared with using either of the above atom trapping techniques separately. The concentration detection limit, defined as 3 times the blank standard deviation (3 σ), was 0.9 ng mL - 1 for Te. For a 2 min in situ pre-concentration time (sample volume of 2 mL), sensitivity enhancement compared to flame AAS, was 222 fold, using the hydride generation — atom trapping technique. The sensitivity can be further improved by increasing the collection time. The precision, expressed as RSD, was 7.0% ( n = 6) for Te. The designs studied include slotted tube, single silica tube and integrated atom trap-cooled atom traps. The accuracy of the method was verified using a certified reference material (GBW 07302 Stream Sediment) by aqueous standard calibration curves. The measured Te contents of the reference material was in agreement with the information value. The method was successfully applied to the determination of tellurium in coal fly ash and garlic.

An extension of the standard model with a single coupling parameter

NASA Astrophysics Data System (ADS)

Atance, Mario; Cortés, José Luis; Irastorza, Igor G.

1997-02-01

We show that it is possible to find an extension of the matter content of the standard model with a unification of gauge and Yukawa couplings reproducing their known values. The perturbative renormalizability of the model with a single coupling and the requirement to accommodate the known properties of the standard model fix the masses and couplings of the additional particles. The implications on the parameters of the standard model are discussed.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction

NASA Astrophysics Data System (ADS)

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-01

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction.

PubMed

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-21

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

Multistabilities and symmetry-broken one-color and two-color states in closely coupled single-mode lasers.

PubMed

Clerkin, Eoin; O'Brien, Stephen; Amann, Andreas

2014-03-01

We theoretically investigate the dynamics of two mutually coupled, identical single-mode semi-conductor lasers. For small separation and large coupling between the lasers, symmetry-broken one-color states are shown to be stable. In this case the light outputs of the lasers have significantly different intensities while at the same time the lasers are locked to a single common frequency. For intermediate coupling we observe stable symmetry-broken two-color states, where both lasers lase simultaneously at two optical frequencies which are separated by up to 150 GHz. Using a five-dimensional model, we identify the bifurcation structure which is responsible for the appearance of symmetric and symmetry-broken one-color and two-color states. Several of these states give rise to multistabilities and therefore allow for the design of all-optical memory elements on the basis of two coupled single-mode lasers. The switching performance of selected designs of optical memory elements is studied numerically.

Multistabilities and symmetry-broken one-color and two-color states in closely coupled single-mode lasers

NASA Astrophysics Data System (ADS)

Clerkin, Eoin; O'Brien, Stephen; Amann, Andreas

2014-03-01

We theoretically investigate the dynamics of two mutually coupled, identical single-mode semi-conductor lasers. For small separation and large coupling between the lasers, symmetry-broken one-color states are shown to be stable. In this case the light outputs of the lasers have significantly different intensities while at the same time the lasers are locked to a single common frequency. For intermediate coupling we observe stable symmetry-broken two-color states, where both lasers lase simultaneously at two optical frequencies which are separated by up to 150 GHz. Using a five-dimensional model, we identify the bifurcation structure which is responsible for the appearance of symmetric and symmetry-broken one-color and two-color states. Several of these states give rise to multistabilities and therefore allow for the design of all-optical memory elements on the basis of two coupled single-mode lasers. The switching performance of selected designs of optical memory elements is studied numerically.

Rod electrical coupling is controlled by a circadian clock and dopamine in mouse retina

PubMed Central

Jin, Nan Ge; Chuang, Alice Z; Masson, Philippe J; Ribelayga, Christophe P

2015-01-01

Key points Rod photoreceptors play a key role in vision in dim light; in the mammalian retina, although rods are anatomically connected or coupled by gap junctions, a type of electrical synapse, the functional importance and regulation of rod coupling has remained elusive. We have developed a new technique in the mouse: perforated patch-clamp recording of rod inner segments in isolated intact retinae maintained by superfusion. We find that rod electrical coupling is controlled by a circadian clock and dopamine, and is weak during the day and stronger at night. The results also indicate that the signal-to-noise ratio for a dim light response is increased at night because of coupling. Our observations will provide a framework for understanding the daily variations in human vision as well as the basis of specific retinal malfunctions. Abstract Rod single-photon responses are critical for vision in dim light. Electrical coupling via gap junction channels shapes the light response properties of vertebrate photoreceptors, but the regulation of rod coupling and its impact on the single-photon response have remained unclear. To directly address these questions, we developed a perforated patch-clamp recording technique and recorded from single rod inner segments in isolated intact neural mouse retinae, maintained by superfusion. Experiments were conducted at different times of the day or under constant environmental conditions, at different times across the circadian cycle. We show that rod electrical coupling is regulated by a circadian clock and dopamine, so that coupling is weak during the day and strong at night. Altogether, patch-clamp recordings of single-photon responses in mouse rods, tracer coupling, receptive field measurements and pharmacological manipulations of gap junction and dopamine receptor activity provide compelling evidence that rod coupling is modulated in a circadian manner. These data are consistent with computer modelling. At night, single-photon responses are smaller due to coupling, but the signal-to-noise ratio for a dim (multiphoton) light response is increased at night because of signal averaging between coupled rods. PMID:25616058

Controlling single-photon transport in an optical waveguide coupled to an optomechanical cavity with a Λ-type three-level atom

NASA Astrophysics Data System (ADS)

Zhang, Yu-Qing; Zhu, Zhong-Hua; Peng, Zhao-Hui; Jiang, Chun-Lei; Chai, Yi-Feng; Hai, Lian; Tan, Lei

2018-06-01

We theoretically study the single-photon transport along a one-dimensional optical waveguide coupled to an optomechanical cavity containing a Λ-type three-level atom. Our numerical results show that the transmission spectra of the incident photon can be well controlled by such a hybrid atom-optomechanical system. The effects of the optomechanical coupling strength, the classical laser beam applied to the atom, atom-cavity detuning, and atomic dissipation on the single-photon transport properties are analyzed. It is of particular interest that an analogous double electromagnetically induced transparency emerges in the single-photon transmission spectra.

Single-photon transport through a waveguide coupling to a quadratic optomechanical system

NASA Astrophysics Data System (ADS)

Qiao, Lei

2017-07-01

We study the coherent transport of a single photon, which propagates in a one-dimensional waveguide and is scattered by a quadratic optomechanical system. Our approach, which is based on the Lippmann-Schwinger equation, gives an analytical solution to describe the single-photon transmission and reflection properties. We analyze the transport spectra and find they are not only related to the optomechanical system's energy-level structure, but also dependent on the optomechanical system's inherent parameters. For the existence of atomic degrees of freedom, we get a Rabi-splitting-like or an electromagnetically induced transparency (EIT)-like spectrum, depending on the atom-cavity coupling strength. Here, we focus on the single-photon strong-coupling regime so that single-quantum effects could be seen.

Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions.

PubMed

Jagau, Thomas-C

2018-01-14

The impact of residual electron correlation beyond the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) approximation on positions and widths of electronic resonances is investigated. To establish a method that accomplishes this task in an economical manner, several approaches proposed for the approximate treatment of triple excitations are reviewed with respect to their performance in the electron attachment (EA) variant of EOM-CC theory. The recently introduced EOM-CCSD(T)(a)* method [D. A. Matthews and J. F. Stanton, J. Chem. Phys. 145, 124102 (2016)], which includes non-iterative corrections to the reference and the target states, reliably reproduces vertical attachment energies from EOM-EA-CC calculations with single, double, and full triple excitations in contrast to schemes in which non-iterative corrections are applied only to the target states. Applications of EOM-EA-CCSD(T)(a)* augmented by a complex absorbing potential (CAP) to several temporary anions illustrate that shape resonances are well described by EOM-EA-CCSD, but that residual electron correlation often makes a non-negligible impact on their positions and widths. The positions of Feshbach resonances, on the other hand, are significantly improved when going from CAP-EOM-EA-CCSD to CAP-EOM-EA-CCSD(T)(a)*, but the correct energetic order of the relevant electronic states is still not achieved.

Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions

NASA Astrophysics Data System (ADS)

Jagau, Thomas-C.

2018-01-01

The impact of residual electron correlation beyond the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) approximation on positions and widths of electronic resonances is investigated. To establish a method that accomplishes this task in an economical manner, several approaches proposed for the approximate treatment of triple excitations are reviewed with respect to their performance in the electron attachment (EA) variant of EOM-CC theory. The recently introduced EOM-CCSD(T)(a)* method [D. A. Matthews and J. F. Stanton, J. Chem. Phys. 145, 124102 (2016)], which includes non-iterative corrections to the reference and the target states, reliably reproduces vertical attachment energies from EOM-EA-CC calculations with single, double, and full triple excitations in contrast to schemes in which non-iterative corrections are applied only to the target states. Applications of EOM-EA-CCSD(T)(a)* augmented by a complex absorbing potential (CAP) to several temporary anions illustrate that shape resonances are well described by EOM-EA-CCSD, but that residual electron correlation often makes a non-negligible impact on their positions and widths. The positions of Feshbach resonances, on the other hand, are significantly improved when going from CAP-EOM-EA-CCSD to CAP-EOM-EA-CCSD(T)(a)*, but the correct energetic order of the relevant electronic states is still not achieved.

Bioequivalence of a single 400-mg dose of imatinib 100-mg oral tablets and a 400-mg tablet in healthy adult Korean volunteers.

PubMed

Lee, Hae Won; Seong, Sook Jin; Park, Sung Min; Lee, Joomi; Gwon, Mi-Ri; Kim, Hyun-Ju; Lim, Sung Mook; Lim, Mi-Sun; Kim, Woomi; Yang, Dong Heon; Yoon, Young-Ran

2015-06-01

Imatinib mesylate (IM) is a selective tyrosine kinase inhibitor for the treatment of chronic myeloid leukemia and gastrointestinal stromal tumors. A new once-daily 400-mg film-coated tablet of imatinib has been developed by a pharmaceutical company in Korea. The present study was designed to assess and compare the PK parameters, bioavailability, and bioequivalence of the new imatinib 400-mg formulation (test) versus the conventional 100-mg formulation (reference) administered as a single 400-mg dose in healthy adult male volunteers. This randomized, open-label, single-dose, two-way crossover study was conducted in healthy Korean male volunteers. Eligible subjects were randomly assigned in a 1 : 1 ratio to receive 400 mg of the test (one 400-mg tablet) or reference (four 100-mg tablets) formulation, followed by a 2-week washout period and administration of the alternate formulation. Serial blood samples were collected at 0 (predose), 0.5, 1, 1.5, 2, 2.5, 3, 4, 6, 8, 10, 12, 24, 48, and 72 hours after administration. Plasma imatinib concentrations were determined using liquid chromatography coupled with tandem mass spectrometry. The formulations were to be considered bioequivalent if the 90% confidence intervals (CIs) of the adjusted geometric mean ratios for Cmax, AUC(0-t), and AUC(0-∞)ž were within the predetermined range of 0.80 - 1.25. In total, 35 subjects completed the study. No serious adverse event was reported during the study. The 90% CIs of the adjusted geometric mean ratios of the test formulation to the reference formulation for C(max), AUC(0-t) and AUC(0-∞)ž of imatinib were all within the bioequivalence criteria range of 0.8 - 1.25. The test formulation of imatinib met the Korean regulatory requirements for bioequivalence. Both imatinib formulations were well-tolerated in all subjects.

Bioequivalence of 250 mg lysine clonixinate tablets after a single oral dose in a healthy female Mexican population under fasting conditions.

PubMed

Marcelín-Jiménez, G; Angeles, A C P; García, A; Morales, M; Rivera, L; Martín-Del-Campo, A

2010-05-01

To evaluate the bioequivalence between two 250 mg-tablets of lysine clonixinate, Dorixina Forte (Siegfried Rhein, México) as reference product, and Prestodol (Farmaceúticos Rayere, S.A., México) as test formulation. 26 healthy adult female Mexican volunteers received a single oral dose of 250-mg lysine clonixinate under fasting conditions. The drug was administered following a randomized, two-period, two-sequence, cross-over design. Twelve serial blood samples were collected up to 8 h after dosing, and clonixin (CLX) was measured by ultra-performance liquid chromatography (UPLC) coupled with tandem mass spectrometry. Decimal logarithm values of Cmax and area under the curve (AUC) were used to construct a classic confidence interval at 90% (90% CI). Bioequivalence was established if 90% CI of mean ratios (test/reference) fall within the 0.8-1.25 range. Volunteers formed a homogeneous population in terms of age (27.2 +/- 6.3 years), weight (55.9 +/- 6.5 kg), height (1.6 +/- 0.04 m), and body mass index (BMI) (22.91 +/- 2.03 kg/m(2)). Reference formulation exhibited the following pharmacokinetics: C(max) (32.39 +/- 8.32 microg/ml); t(max) (0.64 +/- 0.2 h); AUC0-8h (48.92 +/- 16.51 microg x h/ml); t1/2 (1.3 +/- 0.24 h); CLapp (5.64 +/- 1.99 l/h), and Vdapp (10.22 +/- 2.9 l). Concerning bioequivalence, 90% CI were: C(max) (82.32 - 98.79), AUC0-t (94.59-106.29), and AUC(0-inf) (94.61-106.42), with a statistical power of > 0.90 at every tested interval. This single-dose study found that both 250-mg immediate-release tablets of lysine clonixinate met the Mexican regulatory criteria for bioequivalence in these volunteers.

Strain Coupling of a Nitrogen-Vacancy Center Spin to a Diamond Mechanical Oscillator

NASA Astrophysics Data System (ADS)

Teissier, J.; Barfuss, A.; Appel, P.; Neu, E.; Maletinsky, P.

2014-07-01

We report on single electronic spins coupled to the motion of mechanical resonators by a novel mechanism based on crystal strain. Our device consists of single-crystal diamond cantilevers with embedded nitrogen-vacancy center spins. Using optically detected electron spin resonance, we determine the unknown spin-strain coupling constants and demonstrate that our system resides well within the resolved sideband regime. We realize coupling strengths exceeding 10 MHz under mechanical driving and show that our system has the potential to reach strong coupling. Our novel hybrid system forms a resource for future experiments on spin-based cantilever cooling and coherent spin-oscillator coupling.

Data discovery and data processing for environmental research infrastructures

NASA Astrophysics Data System (ADS)

Los, Wouter; Beranzoli, Laura; Corriero, Giuseppe; Cossu, Roberto; Fiore, Nicola; Hardisty, Alex; Legré, Yannick; Pagano, Pasquale; Puglisi, Giuseppe; Sorvari, Sanna; Turunen, Esa

2013-04-01

The European ENVRI project (Common operations of Environmental Research Infrastructures) is addressing common ICT solutions for the research infrastructures as selected in the ESFRI Roadmap. More specifically, the project is looking for solutions that will assist interdisciplinary users who want to benefit from the data and other services of more than a single research infrastructure. However, the infrastructure architectures, the data, data formats, scales and granularity are very different. Indeed, they deal with diverse scientific disciplines, from plate tectonics, the deep sea, sea and land surface up to atmosphere and troposphere, from the dead to the living environment, and with a variety of instruments producing increasingly larger amounts of data. One of the approaches in the ENVRI project is to design a common Reference Model that will serve to promote infrastructure interoperability at the data, technical and service levels. The analysis of the characteristics of the environmental research infrastructures assisted in developing the Reference Model, and which is also an example for comparable infrastructures worldwide. Still, it is for users already now important to have the facilities available for multi-disciplinary data discovery and data processing. The rise of systems research, addressing Earth as a single complex and coupled system is requiring such capabilities. So, another approach in the project is to adapt existing ICT solutions to short term applications. This is being tested for a few study cases. One of these is looking for possible coupled processes following a volcano eruption in the vertical column from deep sea to troposphere. Another one deals with volcano either human impacts on atmospheric and sea CO2 pressure and the implications for sea acidification and marine biodiversity and their ecosystems. And a third one deals with the variety of sensor and satellites data sensing the area around a volcano cone. Preliminary results on these studies will be reported. The common results will assist in shaping more generic solutions to be adopted by the appropriate research infrastructures.

A Financial Market Model Incorporating Herd Behaviour.

PubMed

Wray, Christopher M; Bishop, Steven R

2016-01-01

Herd behaviour in financial markets is a recurring phenomenon that exacerbates asset price volatility, and is considered a possible contributor to market fragility. While numerous studies investigate herd behaviour in financial markets, it is often considered without reference to the pricing of financial instruments or other market dynamics. Here, a trader interaction model based upon informational cascades in the presence of information thresholds is used to construct a new model of asset price returns that allows for both quiescent and herd-like regimes. Agent interaction is modelled using a stochastic pulse-coupled network, parametrised by information thresholds and a network coupling probability. Agents may possess either one or two information thresholds that, in each case, determine the number of distinct states an agent may occupy before trading takes place. In the case where agents possess two thresholds (labelled as the finite state-space model, corresponding to agents' accumulating information over a bounded state-space), and where coupling strength is maximal, an asymptotic expression for the cascade-size probability is derived and shown to follow a power law when a critical value of network coupling probability is attained. For a range of model parameters, a mixture of negative binomial distributions is used to approximate the cascade-size distribution. This approximation is subsequently used to express the volatility of model price returns in terms of the model parameter which controls the network coupling probability. In the case where agents possess a single pulse-coupling threshold (labelled as the semi-infinite state-space model corresponding to agents' accumulating information over an unbounded state-space), numerical evidence is presented that demonstrates volatility clustering and long-memory patterns in the volatility of asset returns. Finally, output from the model is compared to both the distribution of historical stock returns and the market price of an equity index option.

Grain Size as a Control for Melt Focusing Beneath Mid-Ocean Ridges

NASA Astrophysics Data System (ADS)

Turner, A.; Katz, R. F.; Behn, M. D.

2015-12-01

Grain size is a fundamental control on both the rheology and permeability of the mantle. These properties, in turn, affect the transport of melt beneath mid-ocean ridges. Previous models of grain size beneath ridges have considered only the single-phase problem of dynamic recrystallisation and the resultant pattern of grain-size variation [1,2]. These models have not coupled the spatially variable grain-size field to two-phase (partially molten) mechanics to investigate the implications of spatially variable grain size on melt transport. Here, we present new results from numerical models that investigate the consequences of this coupling. In our two-dimensional, two-phase model the grain-size is coupled to both the permeability and rheology. The rheology is strain-rate and grain-size dependent. For simplicity, however, the grain-size field is not computed dynamically — rather, it is imposed from a single-phase, steady-state model [1] that is based on the "wattmeter" theory [3]. Our calculations predicts that a spatially variable grain size field can promote focusing of melt towards the ridge axis. This focusing is distinct from the commonly discussed, sub-lithospheric decompaction channel [4]. Furthermore, our model predicts that the shape of the partially molten region is sensitive to rheological parameters associated with grain size. The comparison of this shape with observations [5] may help to constrain the rheology of the upper mantle beneath mid-ocean ridges. References: [1] Turner et al., Geochem. Geophys. Geosyst., 16, 925-946, 2015. [2] Behn et al., EPSL, 282, 178-189, 2009. [3] Austin and Evans, Geology, 35:343-346, 2007. [4] Sparks and Parmentier, EPSL, 105, 368-377, 1991. [5] Key et al., Nature, 495, 499-502, 2013.

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

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

Hirata, So; Yanai, Takeshi; De Jong, Wibe A.

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

In-situ coupling between kinase activities and protein dynamics within single focal adhesions

NASA Astrophysics Data System (ADS)

Wu, Yiqian; Zhang, Kaiwen; Seong, Jihye; Fan, Jason; Chien, Shu; Wang, Yingxiao; Lu, Shaoying

2016-07-01

The dynamic activation of oncogenic kinases and regulation of focal adhesions (FAs) are crucial molecular events modulating cell adhesion in cancer metastasis. However, it remains unclear how these events are temporally coordinated at single FA sites. Therefore, we targeted fluorescence resonance energy transfer (FRET)-based biosensors toward subcellular FAs to report local molecular events during cancer cell adhesion. Employing single FA tracking and cross-correlation analysis, we quantified the dynamic coupling characteristics between biochemical kinase activities and structural FA within single FAs. We show that kinase activations and FA assembly are strongly and sequentially correlated, with the concurrent FA assembly and Src activation leading focal adhesion kinase (FAK) activation by 42.6 ± 12.6 sec. Strikingly, the temporal coupling between kinase activation and individual FA assembly reflects the fate of FAs at later stages. The FAs with a tight coupling tend to grow and mature, while the less coupled FAs likely disassemble. During FA disassembly, however, kinase activations lead the disassembly, with FAK being activated earlier than Src. Therefore, by integrating subcellularly targeted FRET biosensors and computational analysis, our study reveals intricate interplays between Src and FAK in regulating the dynamic life of single FAs in cancer cells.

Tapered waveguides for guided wave optics.

PubMed

Campbell, J C

1979-03-15

Strip waveguides having half-paraboloid shaped tapers that permit efficient fiber to waveguide coupling have been fabricated by Ag ion exchange in soda-lime glass. A reduction in the input coupling loss has been accomplished by tailoring the diffusion to provide a gradual transition from a single-mode waveguide to a multimode waveguide having cross-sectional dimensions comparable to the core diameter of a single-mode fiber. Waveguides without tapers exhibit an attenuation of 1.0 dB/cm and an input coupling loss of 0.6 dB. The additional loss introduced by the tapered region is 0.5 dB. By way of contrast, an input coupling loss of 2.4 dB is obtained by coupling directly to a single-mode waveguide, indicating a net improvement of 1.3 dB for the tapered waveguides.

Transverse single-mode edge-emitting lasers based on coupled waveguides.

PubMed

Gordeev, Nikita Yu; Payusov, Alexey S; Shernyakov, Yuri M; Mintairov, Sergey A; Kalyuzhnyy, Nikolay A; Kulagina, Marina M; Maximov, Mikhail V

2015-05-01

We report on the transverse single-mode emission from InGaAs/GaAs quantum well edge-emitting lasers with broadened waveguide. The lasers are based on coupled large optical cavity (CLOC) structures where high-order vertical modes of the broad active waveguide are suppressed due to their resonant tunneling into a coupled single-mode passive waveguide. The CLOC lasers have shown stable Gaussian-shaped vertical far-field profiles with a reduced divergence of ∼22° FWHM (full width at half-maximum) in CW (continuous-wave) operation.

Total motile sperm count: a better indicator for the severity of male factor infertility than the WHO sperm classification system.

PubMed

Hamilton, J A M; Cissen, M; Brandes, M; Smeenk, J M J; de Bruin, J P; Kremer, J A M; Nelen, W L D M; Hamilton, C J C M

2015-05-01

Does the prewash total motile sperm count (TMSC) have a better predictive value for spontaneous ongoing pregnancy (SOP) than the World Health Organization (WHO) classification system? The prewash TMSC shows a better correlation with the spontaneous ongoing pregnancy rate (SOPR) than the WHO 2010 classification system. According to the WHO classification system, an abnormal semen analysis can be diagnosed as oligozoospermia, astenozoospermia, teratozoospermia or combinations of these and azoospermia. This classification is based on the fifth percentile cut-off values of a cohort of 1953 men with proven fertility. Although this classification suggests accuracy, the relevance for the prognosis of an infertile couple and the choice of treatment is questionable. The TMSC is obtained by multiplying the sample volume by the density and the percentage of A and B motility spermatozoa. We analyzed data from a longitudinal cohort study among unselected infertile couples who were referred to three Dutch hospitals between January 2002 and December 2006. Of the total cohort of 2476 infertile couples, only the couples with either male infertility as a single diagnosis or unexplained infertility were included (n = 1177) with a follow-up period of 3 years. In all couples a semen analysis was performed. Based on the best semen analysis if more tests were performed, couples were grouped according to the WHO classification system and the TMSC range, as described in the Dutch national guidelines for male infertility. The primary outcome measure was the SOPR, which occurred before, during or after treatments, including expectant management, intrauterine insemination, in vitro fertilization or intracytoplasmic sperm injection. After adjustment for the confounding factors (female and male age, duration and type of infertility and result of the postcoital test) the odd ratios (ORs) for risk of SOP for each WHO and TMSC group were calculated. The couples with unexplained infertility were used as reference. A total of 514 couples did and 663 couples did not achieve a SOP. All WHO groups have a lower SOPR compared with the unexplained group (ORs varying from 0.136 to 0.397). Comparing the couples within the abnormal WHO groups, there are no significant differences in SOPR, except when oligoasthenoteratozoospermia is compared with asthenozoospermia [OR 0.501 (95% CI 0.311-0.809)] and teratozoospermia [OR 0.499 (95% CI: 0.252-0.988)], and oligoasthenozoospermia is compared with asthenozoospermia [OR 0.572 (95% CI: 0.373-0.877)]. All TMSC groups have a significantly lower SOPR compared with the unexplained group (ORs varying from 0.171 to 0.461). Couples with a TMSC of <1 × 10(6) and 1-5 × 10(6) have significantly lower SOPR compared with couples with a TMSC of 5-10 × 10(6) [respectively, OR 0.371 (95% CI: 0.215-0.64) and OR 0.505 (95% CI: 0.307-0.832)]. To include all SOPs during the follow-up period of 3 years, couples were not censured at the start of treatment. Roughly, three prognostic groups can be discerned: couples with a TMSC <5, couples with a TMSC between 5 and 20 and couples with a TMSC of more than 20 × 10(6) spermatozoa. We suggest using TMSC as the method of choice to express severity of male infertility. None. © The Author 2015. Published by Oxford University Press on behalf of the European Society of Human Reproduction and Embryology. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Dual-color single-mode lasing in axially coupled organic nanowire resonators

PubMed Central

Zhang, Chunhuan; Zou, Chang-Ling; Dong, Haiyun; Yan, Yongli; Yao, Jiannian; Zhao, Yong Sheng

2017-01-01

Miniaturized lasers with multicolor output and high spectral purity are of crucial importance for yielding more compact and more versatile photonic devices. However, multicolor lasers usually operate in multimode, which largely restricts their practical applications due to the lack of an effective mode selection mechanism that is simultaneously applicable to multiple wavebands. We propose a mutual mode selection strategy to realize dual-color single-mode lasing in axially coupled cavities constructed from two distinct organic self-assembled single-crystal nanowires. The unique mode selection mechanism in the heterogeneously coupled nanowires was elucidated experimentally and theoretically. With each individual nanowire functioning as both the laser source and the mode filter for the other nanowire, dual-color single-mode lasing was successfully achieved in the axially coupled heterogeneous nanowire resonators. Furthermore, the heterogeneously coupled resonators provided multiple nanoscale output ports for delivering coherent signals with different colors, which could greatly contribute to increasing the integration level of functional photonic devices. These results advance the fundamental understanding of the lasing modulation in coupled cavity systems and offer a promising route to building multifunctional nanoscale lasers for high-level practical photonic integrations. PMID:28785731

Comparison of coherently coupled multi-cavity and quantum dot embedded single cavity systems.

PubMed

Kocaman, Serdar; Sayan, Gönül Turhan

2016-12-12

Temporal group delays originating from the optical analogue to electromagnetically induced transparency (EIT) are compared in two systems. Similar transmission characteristics are observed between a coherently coupled high-Q multi-cavity array and a single quantum dot (QD) embedded cavity in the weak coupling regime. However, theoretically generated group delay values for the multi-cavity case are around two times higher. Both configurations allow direct scalability for chip-scale optical pulse trapping and coupled-cavity quantum electrodynamics (QED).

Postural stabilization after single-leg vertical jump in individuals with chronic ankle instability.

PubMed

Nunes, Guilherme S; de Noronha, Marcos

2016-11-01

To investigate the impact different ways to define reference balance can have when analysing time to stabilization (TTS). Secondarily, to investigate the difference in TTS between people with chronic ankle instability (CAI) and healthy controls. Cross-sectional study. Laboratory. Fifty recreational athletes (25 CAI, 25 controls). TTS of the center of pressure (CoP) after maximal single-leg vertical jump using as reference method the single-leg stance, pre-jump period, and post-jump period; and the CoP variability during the reference methods. The post-jump reference period had lower values for TTS in the anterior-posterior (AP) direction when compared to single-leg stance (P = 0.001) and to pre-jump (P = 0.002). For TTS in the medio-lateral (ML) direction, the post-jump reference period showed lower TTS when compared to single-leg stance (P = 0.01). We found no difference between CAI and control group for TTS for any direction. The CAI group showed more CoP variability than control group in the single-leg stance reference period for both directions. Different reference periods will produce different results for TTS. There is no difference in TTS after a maximum vertical jump between groups. People with CAI have more CoP variability in both directions during single-leg stance. Copyright © 2016 Elsevier Ltd. All rights reserved.

First principles electron-correlated calculations of optical absorption in magnesium clusters★

NASA Astrophysics Data System (ADS)

Shinde, Ravindra; Shukla, Alok

2017-11-01

In this paper, we report large-scale configuration interaction (CI) calculations of linear optical absorption spectra of various isomers of magnesium clusters Mgn (n = 2-5), corresponding to valence transitions. Geometry optimization of several low-lying isomers of each cluster was carried out using coupled-cluster singles doubles (CCSD) approach, and these geometries were subsequently employed to perform ground and excited state calculations using either the full-CI (FCI) or the multi-reference singles-doubles configuration interaction (MRSDCI) approach, within the frozen-core approximation. Our calculated photoabsorption spectrum of magnesium dimer (Mg2) is in excellent agreement with the experiments both for peak positions, and intensities. Owing to the sufficiently inclusive electron-correlation effects, these results can serve as benchmarks against which future experiments, as well as calculations performed using other theoretical approaches, can be tested. Supplementary material in the form of one pdf fille available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80356-6.

Mutual orientation of three magnetic tensors in a polycrystalline dipeptide by dipole-modulated 15N chemical shift spectroscopy

NASA Astrophysics Data System (ADS)

Hartzell, C. J.; Pratum, T. K.; Drobny, G.

1987-10-01

This study demonstrates the mutual orientation of three tensor interactions in a single NMR experiment. The orientation of the 15N chemical shift tensor relative to the molecular frame has thus been determined in polycrystalline L-[1-13C] alanyl-L-[15N] alanine. The 13C-15N and 15N-1H dipole interactions are determined using the 1H dipole-modulated, 13C dipole-coupled 15N spectrum obtained as a transform of the data in t2. From simulations of the experimental spectra, two sets of polar angles have been determined relating the 13C-15N and 15N-1H dipoles to the 15N chemical shift tensor. The values determined are βCN =106°, αCN =5° and βNH =-19°, αNH =12°. The experiment verifies, without reference to single crystal data, that σ33 lies in the peptide plane and σ22 is nearly perpendicular to the plane.

Gaussian process regression to accelerate geometry optimizations relying on numerical differentiation

NASA Astrophysics Data System (ADS)

Schmitz, Gunnar; Christiansen, Ove

2018-06-01

We study how with means of Gaussian Process Regression (GPR) geometry optimizations, which rely on numerical gradients, can be accelerated. The GPR interpolates a local potential energy surface on which the structure is optimized. It is found to be efficient to combine results on a low computational level (HF or MP2) with the GPR-calculated gradient of the difference between the low level method and the target method, which is a variant of explicitly correlated Coupled Cluster Singles and Doubles with perturbative Triples correction CCSD(F12*)(T) in this study. Overall convergence is achieved if both the potential and the geometry are converged. Compared to numerical gradient-based algorithms, the number of required single point calculations is reduced. Although introducing an error due to the interpolation, the optimized structures are sufficiently close to the minimum of the target level of theory meaning that the reference and predicted minimum only vary energetically in the μEh regime.

The Sedimentation of Particles under Orthogonal Shear in Viscoelastic Fluids

NASA Astrophysics Data System (ADS)

Murch, William L.; Krishnan, Sreenath; Shaqfeh, Eric S. G.

2016-11-01

Many engineering applications, including oil and gas recovery, require the suspension of particles in viscoelastic fluids during fluid transport and processing. A topic of specific importance involves such particle suspensions experiencing an applied shear flow in a direction perpendicular to gravity (referred to as orthogonal shear). Previously, it has been shown that particle sedimentation coupled with an orthogonal shear flow can reduce the particle settling rate in elastic fluids. The underlying mechanism of this enhanced coupling drag is not fully understood, particularly at finite Weissenberg numbers. This talk examines the role of fluid elasticity on a single, non-Brownian, rigid sphere settling in orthogonal shear using experiments and numerical simulations. New experiments were performed in a Taylor-Couette flow cell using Boger fluids to study the coupling drag as a function of the shear and sedimentation Weissenberg numbers as well as particle confinement. The elastic effect was also studied with fully 3D simulations of flow past a rigid sphere, using the FENE-P constitutive model to describe the polymeric fluid rheology. These simulations show good agreement with the experiments and allow for further insight into the mechanism of elasticity-enhanced drag. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship.

Signatures of single-photon interaction between two quantum dots located in different cavities of a weakly coupled double microdisk structure

NASA Astrophysics Data System (ADS)

Seyfferle, S.; Hargart, F.; Jetter, M.; Hu, E.; Michler, P.

2018-01-01

We report on the radiative interaction of two single quantum dots (QDs) each in a separate InP/GaInP-based microdisk cavity via resonant whispering gallery modes. The investigations are based on as-fabricated coupled disk modes. We apply optical spectroscopy involving a 4 f setup, as well as mode-selective real-space imaging and photoluminescence mapping to discern single QDs coupled to a resonant microdisk mode. Excitation of one disk of the double cavity structure and detecting photoluminescence from the other yields proof of single-photon emission of a QD excited by incoherent energy transfer from one disk to the other via a mode in the weak-coupling regime. Finally, we present evidence of photons emitted by a QD in one disk that are transferred to the other disk by a resonant mode and are subsequently resonantly scattered by another QD.

Urinary phthalate metabolites and male reproductive function parameters in Chongqing general population, China.

PubMed

Han, Xue; Cui, Zhihong; Zhou, Niya; Ma, Mingfu; Li, Lianbing; Li, Yafei; Lin, Hui; Ao, Lin; Shu, Weiqun; Liu, Jinyi; Cao, Jia

2014-03-01

This study was designed to investigate the phthalates exposure levels in general population in Chongqing City of China, and to determine the possible associations between phthalate exposure and male reproductive function parameters. We recruited 232 general men through Chongqing Family Planning Research Institute and Reproductive Center of Chongqing. In a single spot urine sample from each man, phthalate metabolites, including mono-butyl phthalate (MBP), mono-ethyl phthalate (MEP), mono-(2-ethylhexyl) phthalate (MEHP), mono-benzyl phthalate (MBzP), phthalic acid (PA), and total PA were analyzed using solid phase extraction and coupled with high-performance liquid chromatography and detection by tandem mass spectrometry. Semen parameters were dichotomized based on World Health Organization reference values. Sperm DNA damage were analyzed using the alkaline single-cell gel electrophoresis assay. Reproductive hormones were determined in serum by the radioimmunoassay kit. We observed a weak association between urinary MBP concentration and sperm concentration in Chongqing general population. MBP levels above the median were 1.97 times (95% confidence interval [CI] 0.97-4.04) more likely to have sperm concentration below the reference value. There were no other associations between phthalate metabolites and reproductive function parameters after adjusted for potential risk factors. Our study suggested that general population in Chongqing area of China exposure to the environmental level of phthalate have weak or without adverse effects on the reproduction. Copyright © 2013 Elsevier GmbH. All rights reserved.

An electrochemical series of redox couples in silicate melts - A review and applications to geochemistry

NASA Technical Reports Server (NTRS)

Schreiber, Henry D.

1987-01-01

An electrochemical series for redox couples in a glass-forming oxide melt is developed. This series is a quantitative numerical scale of reference reduction potentials of the redox couples in a silicate melt that is a model for basaltic magmas. The redox couples are ordered in terms of their reference reduction potentials; the order appears to be relatively independent of the exact melt composition and temperature. Thus, upon calibration to a desired composition, oxygen fugacity, and temperature, this electrochemical series can provide estimates of redox state proportions in basaltic magmas on different planetary bodies. The geochemical electrochemical series can also be used to understand the interrelationship of the redox state of the magma and the presence of volatile species such as oxygen, water, sulfur gases, and carbon gases.

Using llama derived single domain antibodies to target botulinum neurotoxins

NASA Astrophysics Data System (ADS)

Swain, Marla D.; Anderson, George P.; Bernstein, Rachael D.; Liu, Jinny L.; Goldman, Ellen R.

2010-04-01

Llama serum contains both conventional IgG as well as unique forms of antibody that contain only heavy chains where antigen binding is mediated through a single variable domain. These variable domains can be expressed recombinantly and are referred to as single domain antibodies (sdAb). SdAb are among the smallest known naturally derived antigen binding fragments, possess good solubility, thermal stability, and can refold after heat and chemical denaturation. Llamas were immunized with either BoNT A or B toxoid and phage display libraries prepared. Single domain antibodies (sdAb) that were able to detect botulinum neurotoxin (BoNT) serotypes A and B were selected from their respective libraries. Here, the binders obtained by panning the BoNT B library on either BoNT B toxoid or BoNT B complex toxoid coated plates or BoNT B toxin coupled microspheres are described. Using these panning methods, we selected for binders that showed specificity for BoNT B. Phage displayed binders were screened, moved to a protein expression vector and soluble sdAb was produced. Using a Luminex flow cytometer binders were evaluated in direct binding assays. We have exploited the unique properties of sdAb and used them as biological recognition elements in immuno-based sensors that can detect BoNT B.

Tapered fiber coupling of single photons emitted by a deterministically positioned single nitrogen vacancy center

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

Liebermeister, Lars, E-mail: lars.liebermeister@physik.uni-muenchen.de; Petersen, Fabian; Münchow, Asmus v.

2014-01-20

A diamond nano-crystal hosting a single nitrogen vacancy (NV) center is optically selected with a confocal scanning microscope and positioned deterministically onto the subwavelength-diameter waist of a tapered optical fiber (TOF) with the help of an atomic force microscope. Based on this nano-manipulation technique, we experimentally demonstrate the evanescent coupling of single fluorescence photons emitted by a single NV-center to the guided mode of the TOF. By comparing photon count rates of the fiber-guided and the free-space modes and with the help of numerical finite-difference time domain simulations, we determine a lower and upper bound for the coupling efficiency ofmore » (9.5 ± 0.6)% and (10.4 ± 0.7)%, respectively. Our results are a promising starting point for future integration of single photon sources into photonic quantum networks and applications in quantum information science.« less

Polarization preserving single mode fiber optic coupler

NASA Technical Reports Server (NTRS)

Nelson, M. D.; Goss, W. C.

1982-01-01

A technique is described for fabrication of etched single mode fiber optical waveguide couplers which preserve the polarization state to within 0.0001. The coupling ratio is tunable over a broad range (0-9 percent) during fabrication. Back-coupling is less than 0.001, insertion loss is less than 1.5 dB, and coupling ratio thermal coefficient is about 1 percent per degree C.

Waveguide-Coupled Superconducting Nanowire Single-Photon Detectors

NASA Technical Reports Server (NTRS)

Beyer, Andrew D.; Briggs, Ryan M.; Marsili, Francesco; Cohen, Justin D.; Meenehan, Sean M.; Painter, Oskar J.; Shaw, Matthew D.

2015-01-01

We have demonstrated WSi-based superconducting nanowire single-photon detectors coupled to SiNx waveguides with integrated ring resonators. This photonics platform enables the implementation of robust and efficient photon-counting detectors with fine spectral resolution near 1550 nm.

Probing the Higgs self coupling via single Higgs production at the LHC

DOE PAGES

Degrassi, G.; Giardino, P. P.; Maltoni, F.; ...

2016-12-16

Here, we propose a method to determine the trilinear Higgs self coupling that is alternative to the direct measurement of Higgs pair production total cross sections and differential distributions. Furthermore, the method relies on the effects that electroweak loops featuring an anomalous trilinear coupling would imprint on single Higgs production at the LHC. We first calculate these contributions to all the phenomenologically relevant Higgs production (ggF, VBF, WH, ZH, tmore » $$\\bar{t}$$ ) and decay (γγ,WW*/ZZ*→ 4f, b$$\\bar{b}$$,ττ) modes at the LHC and then estimate the sensitivity to the trilinear coupling via a one-parameter fit to the single Higgs measurements at the LHC 8 TeV. We also found that the bounds on the self coupling are already competitive with those from Higgs pair production and will be further improved in the current and next LHC runs.« less

The Challenges to Coupling Dynamic Geospatial Models

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

Goldstein, N

2006-06-23

Many applications of modeling spatial dynamic systems focus on a single system and a single process, ignoring the geographic and systemic context of the processes being modeled. A solution to this problem is the coupled modeling of spatial dynamic systems. Coupled modeling is challenging for both technical reasons, as well as conceptual reasons. This paper explores the benefits and challenges to coupling or linking spatial dynamic models, from loose coupling, where information transfer between models is done by hand, to tight coupling, where two (or more) models are merged as one. To illustrate the challenges, a coupled model of Urbanizationmore » and Wildfire Risk is presented. This model, called Vesta, was applied to the Santa Barbara, California region (using real geospatial data), where Urbanization and Wildfires occur and recur, respectively. The preliminary results of the model coupling illustrate that coupled modeling can lead to insight into the consequences of processes acting on their own.« less

An alternative to fully coupled reactive transport simulations for long-term prediction of chemical reactions in complex geological systems

NASA Astrophysics Data System (ADS)

De Lucia, Marco; Kempka, Thomas; Kühn, Michael

2014-05-01

Fully-coupled reactive transport simulations involving multiphase hydrodynamics and chemical reactions in heterogeneous settings are extremely challenging from a computational point of view. This often leads to oversimplification of the investigated system: coarse spatial discretization, to keep the number of elements in the order of few thousands; simplified chemistry, disregarding many potentially important reactions. A novel approach for coupling non-reactive hydrodynamic simulations with the outcome of single batch geochemical simulations was therefore introduced to assess the potential long-term mineral trapping at the Ketzin pilot site for underground CO2 storage in Germany [1],[2]. The advantage of the coupling is the ability to use multi-million grid non-reactive hydrodynamics simulations on one side and few batch 0D geochemical simulations on the other, so that the complexity of both systems does not need to be reduced. This contribution shows the approach which was taken to validate this simplified coupling scheme. The procedure involved batch simulations of the reference geochemical model, then performing both non-reactive and fully coupled 1D and 3D reactive transport simulations and finally applying the simplified coupling scheme based on the non-reactive and geochemical batch model. The TOUGHREACT/ECO2N [3] simulator was adopted for the validation. The degree of refinement of the spatial grid and the complexity and velocity of the mineral reactions, along with a cut-off value for the minimum concentration of dissolved CO2 allowed to originate precipitates in the simplified approach were found out to be the governing parameters for the convergence of the two schemes. Systematic discrepancies between the approaches are not reducible, simply because there is no feedback between chemistry and hydrodynamics, and can reach 20 % - 30 % in unfavourable cases. However, even such discrepancy is completely acceptable, in our opinion, given the amount of uncertainty underlying the geochemical models. References [1] Klein, E., De Lucia, M., Kempka, T. Kühn, M. 2013. Evaluation of longterm mineral trapping at the Ketzin pilot site for CO2 storage: an integrative approach using geochemical modelling and reservoir simulation. International Journal of Greenhouse Gas Control 19: 720-730, doi:10.1016/j.ijggc.2013.05.014 [2] Kempka, T., Klein, E., De Lucia, M., Tillner, E. Kühn, M. 2013. Assessment of Long-term CO2 Trapping Mechanisms at the Ketzin Pilot Site (Germany) by Coupled Numerical Modelling. Energy Procedia 37: 5419-5426, doi:10.1016/j.egypro.2013.06.460 [3] Xu, T., Spycher, N., Sonnenthal, E., Zhang, G., Zheng, L., Pruess, K. 2010. TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions, Computers & Geosciences 37(6), doi:10.1016/j.cageo.2010.10.007

Re-evaluation and extension of the scope of elements in US Geological Survey Standard Reference Water Samples

USGS Publications Warehouse

Peart, D.B.; Antweiler, Ronald C.; Taylor, Howard E.; Roth, D.A.; Brinton, T.I.

1998-01-01

More than 100 US Geological Survey (USGS) Standard Reference Water Samples (SRWSs) were analyzed for numerous trace constituents, including Al, As, B, Ba, Be, Bi, Br, Cd, Cr, Co, Cu, I, Fe, Pb, Li, Mn, Mo, Ni, Rb, Sb, Se, Sr, Te, Tl, U, V, Zn and major elements (Ca, Mg, Na, SiO2, SO4, Cl) by inductively coupled plasma mass spectrometry and inductively coupled plasma atomic emission spectrometry. In addition, 15 USGS SRWSs and National Institute of Standards and Technology (NIST) standard reference material (SRM) 1641b were analyzed for mercury using cold vapor atomic fluorescence spectrometry. Also USGS SRWS Hg-7 was analyzed using isotope dilution-inductively coupled plasma mass spectrometry. The results were compared with the reported certified values of the following standard reference materials: NIST SRM 1643a, 1643b, 1643c and 1643d and National Research Council of Canada Riverine Water Reference Materials for Trace Metals SLRS-1, SLRS-2 and SLRS-3. New concentration values for trace and major elements in the SRWSs, traceable to the certified standards, are reported. Additional concentration values are reported for elements that were neither previously published for the SRWSs nor traceable to the certified reference materials. Robust statistical procedures were used that were insensitive to outliers. These data can be used for quality assurance/quality control purposes in analytical laboratories.

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

DOE PAGES

Sadybekov, Arman; Krylov, Anna I.

2017-07-07

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

Glucose transformation to 5-hydroxymethylfurfural in acidic ionic liquid: A quantum mechanical study.

PubMed

Arifin; Puripat, Maneeporn; Yokogawa, Daisuke; Parasuk, Vudhichai; Irle, Stephan

2016-01-30

Isomerization and transformation of glucose and fructose to 5-hydroxymethylfurfural (HMF) in both ionic liquids (ILs) and water has been studied by the reference interaction site model self-consistent field spatial electron density distribution (RISM-SCF-SEDD) method coupled with ab initio electronic structure theory, namely coupled cluster single, double, and perturbative triple excitation (CCSD(T)). Glucose isomerization to fructose has been investigated via cyclic and open chain mechanisms. In water, the calculations support the cyclic mechanism of glucose isomerization; with the predicted activation free energy is 23.8 kcal mol(-1) at experimental condition. Conversely, open ring mechanism is more favorable in ILs with the energy barrier is 32.4 kcal mol(-1) . Moreover, the transformation of fructose into HMF via cyclic mechanism is reasonable; the calculated activation barriers are 16.0 and 21.5 kcal mol(-1) in aqueous and ILs solutions, respectively. The solvent effects of ILs could be explained by the decomposition of free energies and radial distribution functions of solute-solvent that are produced by RISM-SCF-SEDD. © 2015 Wiley Periodicals, Inc.

Complex Instruction Set Quantum Computing

NASA Astrophysics Data System (ADS)

Sanders, G. D.; Kim, K. W.; Holton, W. C.

1998-03-01

In proposed quantum computers, electromagnetic pulses are used to implement logic gates on quantum bits (qubits). Gates are unitary transformations applied to coherent qubit wavefunctions and a universal computer can be created using a minimal set of gates. By applying many elementary gates in sequence, desired quantum computations can be performed. This reduced instruction set approach to quantum computing (RISC QC) is characterized by serial application of a few basic pulse shapes and a long coherence time. However, the unitary matrix of the overall computation is ultimately a unitary matrix of the same size as any of the elementary matrices. This suggests that we might replace a sequence of reduced instructions with a single complex instruction using an optimally taylored pulse. We refer to this approach as complex instruction set quantum computing (CISC QC). One trades the requirement for long coherence times for the ability to design and generate potentially more complex pulses. We consider a model system of coupled qubits interacting through nearest neighbor coupling and show that CISC QC can reduce the time required to perform quantum computations.

Magic angle for barrier-controlled double quantum dots

NASA Astrophysics Data System (ADS)

Yang, Xu-Chen; Wang, Xin

2018-01-01

We show that the exchange interaction of a singlet-triplet spin qubit confined in double quantum dots, when being controlled by the barrier method, is insensitive to a charged impurity lying along certain directions away from the center of the double-dot system. These directions differ from the polar axis of the double dots by the magic angle, equaling arccos(1 /√{3 })≈54 .7∘ , a value previously found in atomic physics and nuclear magnetic resonance. This phenomenon can be understood from an expansion of the additional Coulomb interaction created by the impurity, but also relies on the fact that the exchange interaction solely depends on the tunnel coupling in the barrier-control scheme. Our results suggest that for a scaled-up qubit array, when all pairs of double dots rotate their respective polar axes from the same reference line by the magic angle, crosstalk between qubits can be eliminated, allowing clean single-qubit operations. While our model is a rather simplified version of actual experiments, our results suggest that it is possible to minimize unwanted couplings by judiciously designing the layout of the qubits.

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

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

Sadybekov, Arman; Krylov, Anna I.

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

Quality-assurance results for routine water analyses in U.S. Geological Survey laboratories, water year 1998

USGS Publications Warehouse

Ludtke, Amy S.; Woodworth, Mark T.; Marsh, Philip S.

2000-01-01

The U.S. Geological Survey operates a quality-assurance program based on the analyses of reference samples for two laboratories: the National Water Quality Laboratory and the Quality of Water Service Unit. Reference samples that contain selected inorganic, nutrient, and low-level constituents are prepared and submitted to the laboratory as disguised routine samples. The program goal is to estimate precision and bias for as many analytical methods offered by the participating laboratories as possible. Blind reference samples typically are submitted at a rate of 2 to 5 percent of the annual environmental-sample load for each constituent. The samples are distributed to the laboratories throughout the year. The reference samples are subject to the identical laboratory handling, processing, and analytical procedures as those applied to environmental samples and, therefore, have been used as an independent source to verify bias and precision of laboratory analytical methods and ambient water-quality measurements. The results are stored permanently in the National Water Information System and the Blind Sample Project's data base. During water year 1998, 95 analytical procedures were evaluated at the National Water Quality Laboratory and 63 analytical procedures were evaluated at the Quality of Water Service Unit. An overall evaluation of the inorganic and low-level constituent data for water year 1998 indicated 77 of 78 analytical procedures at the National Water Quality Laboratory met the criteria for precision. Silver (dissolved, inductively coupled plasma-mass spectrometry) was determined to be imprecise. Five of 78 analytical procedures showed bias throughout the range of reference samples: chromium (dissolved, inductively coupled plasma-atomic emission spectrometry), dissolved solids (dissolved, gravimetric), lithium (dissolved, inductively coupled plasma-atomic emission spectrometry), silver (dissolved, inductively coupled plasma-mass spectrometry), and zinc (dissolved, inductively coupled plasma-mass spectrometry). At the National Water Quality Laboratory during water year 1998, lack of precision was indicated for 2 of 17 nutrient procedures: ammonia as nitrogen (dissolved, colorimetric) and orthophosphate as phosphorus (dissolved, colorimetric). Bias was indicated throughout the reference sample range for ammonia as nitrogen (dissolved, colorimetric, low level) and nitrate plus nitrite as nitrogen (dissolved, colorimetric, low level). All analytical procedures tested at the Quality of Water Service Unit during water year 1998 met the criteria for precision. One of the 63 analytical procedures indicated a bias throughout the range of reference samples: aluminum (whole-water recoverable, inductively coupled plasma-atomic emission spectrometry, trace).

Number of embryos for transfer following in-vitro fertilisation or intra-cytoplasmic sperm injection.

PubMed

Pandian, Z; Bhattacharya, S; Ozturk, O; Serour, G I; Templeton, A

2004-10-18

The traditional reliance on the transfer of multiple embryos during in vitro fertilisation (IVF) in order to maximise the chance of pregnancy, has resulted in increasing rates of multiple pregnancies. Women undergoing IVF had a 20 - fold increased risk of twins and 400 - fold increased risk of higher order pregnancies (Martin 1998). The maternal and perinatal morbidity and mortality as well as national health service costs associated with multiple pregnancies is significantly high in comparison with singleton births (Luke 1992; Callahan 1994; Goldfarb 1996). Single embryo transfer is now being considered as an effective means of reducing this iatrogenic complication. This systematic review evaluates the effectiveness of elective two embryo transfer in comparison with single and more than two embryo transfer following IVF and ICSI (intra cytoplasmic sperm injection) treatment. The aim of this review is to determine, whether in couples who undergo IVF/ICSI: (1) the elective transfer of two embryos improves the probability of livebirth compared with: (a) Single embryo transfer, (b) Three embryo transfer or (c) Four embryo transfer.(2) the elective transfer of three embryos improves the probability of livebirth compared with: (a) Single embryo transfer, or (b) Four embryo transfer, We searched the Cochrane Menstrual Disorders and Subfertility Group's trials register (searched June 2003), the Cochrane Central Register of Controlled Trials (The Cochrane Library, Issue 4, 2003), MEDLINE (1970 to 2003), EMBASE (1985 to 2003) and reference lists of articles. We also handsearched relevant conference proceedings and contacted researchers in the field. Only randomised controlled trials were included. Two reviewers independently assessed eligibility and quality of trials. We found no studies that compared a policy of transferring multiple embryos on one cycle versus a policy of cryo- preservation and transfer of a single embryo over multiple cycles. We also found no trials comparing transfer of two versus three embryos. Three small, poorly reported trials compared transfer of two versus one embryo in a single cycle, and one small, poorly reported trial compared transfer of two versus four embryos in a single cycle. The clinical pregnancy rate per woman/couple associated with two embryo transfer was significantly higher compared to single embryo transfer (OR 2.08, 95% CI 1.24 to 3.50; test for overall effect p = 0.006). The live birth rate per woman/couple associated with two embryo transfer was also significantly higher than that associated with single embryo transfer (OR 1.90, 95% CI 1.12 to 3.22, test for overall effect p=0.02). The multiple pregnancy rate was significantly lower in women who had single embryo transfer (OR 9.97, 95% CI 2.61 to 38.19; p = 0.0008). The effectiveness of double embryo transfer versus four embryo transfer was tested in a single trial. There was no statistically significant differences in the clinical pregnancy rate (OR 0.75, 95% CI 0.26 to 2.16; p=0.6), and multiple pregnancy rates (OR 0.44. 95% CI 0.10 to 1.97; p = 0.28) between the two groups. The livebirth rate in the four embryo transfer group was higher compared to the two embryo transfer group, but the results were not statistically significant (OR 0.35, 95% CI 0.11 to 1.05; p = 0.06). The results of this systematic review suggest that live birth and pregnancy rates following single embryo transfer are lower than those following double embryo transfer as are the chances of multiple pregnancy including twins. As such, it is unlikely that the conclusions are robust enough to catalyse a change in clinical practice. The studies included are limited by their small sample size, so that even large differences might be hidden. Cumulative livebirth rates are seldom reported. The data were inadequate to draw conclusions about single embryo transfer and first frozen single embryo transfer (1FZET) or subsequent single frozen embryo transfers. Until more evidence is available single embryo transfer may not be the preferred choice for all patients undergoing IVF/ICSI. Clinicians may need to individualise protocols for couples based on their risks of multiple pregnancy. A definitive pragmatic, large multi centre randomised controlled trial comparing single embryo versus double embryo transfer in terms of clinical and cost effectiveness as well as acceptability is required. The primary outcome measured should be cumulative livebirth per woman/couple.

Controlling the angular radiation of single emitters using dielectric patch nanoantennas

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

Yang, Yuanqing; Li, Qiang; Qiu, Min, E-mail: minqiu@zju.edu.cn

2015-07-20

Dielectric nanoantennas have generated much interest in recent years owing to their low loss and optically induced electric and magnetic resonances. In this paper, we investigate the coupling between a single emitter and dielectric patch nanoantennas. For the coupled system involving non-spherical structures, analytical Mie theory is no longer applicable. A semi-analytical model is proposed instead to interpret the coupling mechanism and the radiation characteristics of the system. Based on the presented model, we demonstrate that the angular emission of the single emitter can be not only enhanced but also rotated using the dielectric patch nanoantennas.

Active control of transmission loss with smart foams.

PubMed

Kundu, Abhishek; Berry, Alain

2011-02-01

Smart foams combine the complimentary advantages of passive foam material and spatially distributed piezoelectric actuator embedded in it for active noise control applications. In this paper, the problem of improving the transmission loss of smart foams using active control strategies has been investigated both numerically and experimentally inside a waveguide under the condition of plane wave propagation. The finite element simulation of a coupled noise control system has been undertaken with three different smart foam designs and their effectiveness in cancelling the transmitted wave downstream of the smart foam have been studied. The simulation results provide insight into the physical phenomenon of active noise cancellation and explain the impact of the smart foam designs on the optimal active control results. Experimental studies aimed at implementing the real-time control for transmission loss optimization have been performed using the classical single input/single output filtered-reference least mean squares algorithm. The active control results with broadband and single frequency primary source inputs demonstrate a good improvement in the transmission loss of the smart foams. The study gives a comparative description of the transmission and absorption control problems in light of the modification of the vibration response of the piezoelectric actuator under active control.

Plasmonic Heterodimers with Binding Site-Dependent Hot Spot for Surface-Enhanced Raman Scattering.

PubMed

Tian, Yuanyuan; Shuai, Zhenhua; Shen, Jingjing; Zhang, Lei; Chen, Shufen; Song, Chunyuan; Zhao, Baomin; Fan, Quli; Wang, Lianhui

2018-06-01

A novel plasmonic heterodimer nanostructure with a controllable self-assembled hot spot is fabricated by the conjugation of individual Au@Ag core-shell nanocubes (Au@Ag NCs) and varisized gold nanospheres (GNSs) via the biotin-streptavidin interaction from the ensemble to the single-assembly level. Due to their featured configurations, three types of heterogeneous nanostructures referred to as Vertice, Vicinity, and Middle are proposed and a single hot spot forms between the nanocube and nanosphere, which exhibits distinct diversity in surface plasmon resonance effect. Herein, the calculated surface-enhanced Raman scattering enhancement factors of the three types of heterodimers show a narrow distribution and can be tuned in orders of magnitude by controlling the size of GNSs onto individual Au@Ag NCs. Particularly, the Vertice heterodimer with unique configuration can provide extraordinary enhancement of the electric field for the single hot spot region due to the collaborative interaction of lightning rod effect and interparticle plasmon coupling effect. This established relationship between the architecture and the corresponding optical properties of the heterodimers provides the basis for creating controllable platforms which can be exploited in the applications of plasmonic devices, electronics, and biodetection. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Methods for the preparation of protein-oligonucleotide-lipid constructs.

PubMed

Takasaki, Jennifer; Raney, Sameersingh G; Chikh, Ghania; Sekirov, Laura; Brodsky, Irina; Tam, Ying; Ansell, Steven M

2006-01-01

A mixture of ionizable cationic lipids, steric barrier lipids, and colipids is used to encapsulate oligonucleotide DNA in lipidic particles called SALP. This material is under development as an adjuvant for vaccines. Previously we have shown that coupling the antigen directly to the surface of SALP can lead to enhanced immunological responses in vivo. Two different methods for preparing ovalbumin-SALP were assessed in this work. Originally the conjugates were prepared by treating SALP containing a maleimide-derivatized lipid with thiolated ovalbumin, a method we refer to as active coupling. This reaction was found to be difficult to control and generally resulted in low coupling efficiencies. The issues relating to this approach were characterized. We have recently developed alternative techniques based on first coupling ovalbumin to a micelle and then incubating the resultant product with SALP, methods we refer to as passive coupling. We have shown that this method allows accurate control of the levels of protein associated SALP and does not suffer from surface saturation effects seen with the active coupling method that places maximum limits on the amount of protein that can be coupled to the SALP surface. The products from the passive coupling protocol are shown to have activity comparable to those derived from the active coupling protocol in investigations of in vivo immune responses.

Coupled-resonator waveguide perfect transport single-photon by interatomic dipole-dipole interaction

NASA Astrophysics Data System (ADS)

Yan, Guo-an; Lu, Hua; Qiao, Hao-xue; Chen, Ai-xi; Wu, Wan-qing

2018-06-01

We theoretically investigate single-photon coherent transport in a one-dimensional coupled-resonator waveguide coupled to two quantum emitters with dipole-dipole interactions. The numerical simulations demonstrate that the transmission spectrum of the photon depends on the two atoms dipole-dipole interactions and the photon-atom couplings. The dipole-dipole interactions may change the dip positions in the spectra and the coupling strength may broaden the frequency band width in the transmission spectrum. We further demonstrate that the typical transmission spectra split into two dips due to the dipole-dipole interactions. This phenomenon may be used to manufacture new quantum waveguide devices.

Embedding the dynamics of a single delay system into a feed-forward ring.

PubMed

Klinshov, Vladimir; Shchapin, Dmitry; Yanchuk, Serhiy; Wolfrum, Matthias; D'Huys, Otti; Nekorkin, Vladimir

2017-10-01

We investigate the relation between the dynamics of a single oscillator with delayed self-feedback and a feed-forward ring of such oscillators, where each unit is coupled to its next neighbor in the same way as in the self-feedback case. We show that periodic solutions of the delayed oscillator give rise to families of rotating waves with different wave numbers in the corresponding ring. In particular, if for the single oscillator the periodic solution is resonant to the delay, it can be embedded into a ring with instantaneous couplings. We discover several cases where the stability of a periodic solution for the single unit can be related to the stability of the corresponding rotating wave in the ring. As a specific example, we demonstrate how the complex bifurcation scenario of simultaneously emerging multijittering solutions can be transferred from a single oscillator with delayed pulse feedback to multijittering rotating waves in a sufficiently large ring of oscillators with instantaneous pulse coupling. Finally, we present an experimental realization of this dynamical phenomenon in a system of coupled electronic circuits of FitzHugh-Nagumo type.

Sulfate and sulfide sulfur isotopes (δ34S and δ33S) measured by solution and laser ablation MC-ICP-MS: An enhanced approach using external correction

USGS Publications Warehouse

Pribil, Michael; Ridley, William I.; Emsbo, Poul

2015-01-01

Isotope ratio measurements using a multi-collector inductively coupled plasma mass spectrometer (MC-ICP-MS) commonly use standard-sample bracketing with a single isotope standard for mass bias correction for elements with narrow-range isotope systems measured by MC-ICP-MS, e.g. Cu, Fe, Zn, and Hg. However, sulfur (S) isotopic composition (δ34S) in nature can range from at least − 40 to + 40‰, potentially exceeding the ability of standard-sample bracketing using a single sulfur isotope standard to accurately correct for mass bias. Isotopic fractionation via solution and laser ablation introduction was determined during sulfate sulfur (Ssulfate) isotope measurements. An external isotope calibration curve was constructed using in-house and National Institute of Standards and Technology (NIST) Ssulfate isotope reference materials (RM) in an attempt to correct for the difference. The ability of external isotope correction for Ssulfate isotope measurements was evaluated by analyzing NIST and United States Geological Survey (USGS) Ssulfate isotope reference materials as unknowns. Differences in δ34Ssulfate between standard-sample bracketing and standard-sample bracketing with external isotope correction for sulfate samples ranged from 0.72‰ to 2.35‰ over a δ34S range of 1.40‰ to 21.17‰. No isotopic differences were observed when analyzing Ssulfide reference materials over a δ34Ssulfide range of − 32.1‰ to 17.3‰ and a δ33S range of − 16.5‰ to 8.9‰ via laser ablation (LA)-MC-ICP-MS. Here, we identify a possible plasma induced fractionation for Ssulfate and describe a new method using external isotope calibration corrections using solution and LA-MC-ICP-MS.

Coupling losses between standard single-mode fibers and rectangular waveguides for integrated optics.

PubMed

Lierstuen, L O; Sudbø, A S

1995-02-20

The butt-coupling loss between different tapered rectangular waveguides and a standard single-mode optical fiber has been calculated. Losses as low as 0.16 dB can be reached for waveguides with a refractive-index contrast in the range of 0.5% to 1.96%. The fabrication tolerances are such that practical devices with coupling losses below 0.25 dB are feasible.

Single-molecule strong coupling at room temperature in plasmonic nanocavities

NASA Astrophysics Data System (ADS)

Chikkaraddy, Rohit; de Nijs, Bart; Benz, Felix; Barrow, Steven J.; Scherman, Oren A.; Rosta, Edina; Demetriadou, Angela; Fox, Peter; Hess, Ortwin; Baumberg, Jeremy J.

2016-07-01

Photon emitters placed in an optical cavity experience an environment that changes how they are coupled to the surrounding light field. In the weak-coupling regime, the extraction of light from the emitter is enhanced. But more profound effects emerge when single-emitter strong coupling occurs: mixed states are produced that are part light, part matter, forming building blocks for quantum information systems and for ultralow-power switches and lasers. Such cavity quantum electrodynamics has until now been the preserve of low temperatures and complicated fabrication methods, compromising its use. Here, by scaling the cavity volume to less than 40 cubic nanometres and using host-guest chemistry to align one to ten protectively isolated methylene-blue molecules, we reach the strong-coupling regime at room temperature and in ambient conditions. Dispersion curves from more than 50 such plasmonic nanocavities display characteristic light-matter mixing, with Rabi frequencies of 300 millielectronvolts for ten methylene-blue molecules, decreasing to 90 millielectronvolts for single molecules—matching quantitative models. Statistical analysis of vibrational spectroscopy time series and dark-field scattering spectra provides evidence of single-molecule strong coupling. This dressing of molecules with light can modify photochemistry, opening up the exploration of complex natural processes such as photosynthesis and the possibility of manipulating chemical bonds.

Bimetallic catalysis for C–C and C–X coupling reactions

PubMed Central

Pye, Dominic R.

2017-01-01

Bimetallic catalysis represents an alternative paradigm for coupling chemistry that complements the more traditional single-site catalysis approach. In this perspective, recent advances in bimetallic systems for catalytic C–C and C–X coupling reactions are reviewed. Behavior which complements that of established single-site catalysts is highlighted. Two major reaction classes are covered. First, generation of catalytic amounts of organometallic species of e.g. Cu, Au, or Ni capable of transmetallation to a Pd co-catalyst (or other traditional cross-coupling catalyst) has allowed important new C–C coupling technologies to emerge. Second, catalytic transformations involving binuclear bond-breaking and/or bond-forming steps, in some cases involving metal–metal bonds, represent a frontier area for C–C and C–X coupling processes.

Single photon sources with single semiconductor quantum dots

NASA Astrophysics Data System (ADS)

Shan, Guang-Cun; Yin, Zhang-Qi; Shek, Chan Hung; Huang, Wei

2014-04-01

In this contribution, we briefly recall the basic concepts of quantum optics and properties of semiconductor quantum dot (QD) which are necessary to the understanding of the physics of single-photon generation with single QDs. Firstly, we address the theory of quantum emitter-cavity system, the fluorescence and optical properties of semiconductor QDs, and the photon statistics as well as optical properties of the QDs. We then review the localization of single semiconductor QDs in quantum confined optical microcavity systems to achieve their overall optical properties and performances in terms of strong coupling regime, efficiency, directionality, and polarization control. Furthermore, we will discuss the recent progress on the fabrication of single photon sources, and various approaches for embedding single QDs into microcavities or photonic crystal nanocavities and show how to extend the wavelength range. We focus in particular on new generations of electrically driven QD single photon source leading to high repetition rates, strong coupling regime, and high collection efficiencies at elevated temperature operation. Besides, new developments of room temperature single photon emission in the strong coupling regime are reviewed. The generation of indistinguishable photons and remaining challenges for practical single-photon sources are also discussed.

Design of 150W, 105-μm, 0.22NA, fiber coupled laser diode module by ZEMAX

NASA Astrophysics Data System (ADS)

Qi, Yunfei; Zhao, Pengfei; Chen, Qing; Wu, Yulong; Chen, Yongqi; Zou, Yonggang; Lin, Xuechun

2016-10-01

We represent a design of a high brightness, fiber coupled diode laser module based on 16 single emitters at 915nm. The module can produce more than 150 Watts output power from a standard fiber with core diameter of 105μm and numerical aperture (NA) of 0.22. To achieve a high power and high brightness laser beam, the spatial beam combination and polarization beam combination are used to combine output of 16 single emitters into a single beam, and then an aspheric lens is used to couple the combined beam into an optical fiber. The simulation show that the total coupling efficiency is more than 95% and the highest brightness is estimated to be 11MW/ (cm2*sr).

Adiabatic regularization of the power spectrum in nonminimally coupled general single-field inflation

NASA Astrophysics Data System (ADS)

Alinea, Allan L.; Kubota, Takahiro

2018-03-01

We perform adiabatic regularization of power spectrum in nonminimally coupled general single-field inflation with varying speed of sound. The subtraction is performed within the framework of earlier study by Urakawa and Starobinsky dealing with the canonical inflation. Inspired by Fakir and Unruh's model on nonminimally coupled chaotic inflation, we find upon imposing near scale-invariant condition, that the subtraction term exponentially decays with the number of e -folds. As in the result for the canonical inflation, the regularized power spectrum tends to the "bare" power spectrum as the Universe expands during (and even after) inflation. This work justifies the use of the "bare" power spectrum in standard calculation in the most general context of slow-roll single-field inflation involving nonminimal coupling and varying speed of sound.

Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell π-conjugated systems

NASA Astrophysics Data System (ADS)

Champagne, Benoı̂t; Botek, Edith; Nakano, Masayoshi; Nitta, Tomoshige; Yamaguchi, Kizashi

2005-03-01

The basis set and electron correlation effects on the static polarizability (α) and second hyperpolarizability (γ) are investigated ab initio for two model open-shell π-conjugated systems, the C5H7 radical and the C6H8 radical cation in their doublet state. Basis set investigations evidence that the linear and nonlinear responses of the radical cation necessitate the use of a less extended basis set than its neutral analog. Indeed, double-zeta-type basis sets supplemented by a set of d polarization functions but no diffuse functions already provide accurate (hyper)polarizabilities for C6H8 whereas diffuse functions are compulsory for C5H7, in particular, p diffuse functions. In addition to the 6-31G*+pd basis set, basis sets resulting from removing not necessary diffuse functions from the augmented correlation consistent polarized valence double zeta basis set have been shown to provide (hyper)polarizability values of similar quality as more extended basis sets such as augmented correlation consistent polarized valence triple zeta and doubly augmented correlation consistent polarized valence double zeta. Using the selected atomic basis sets, the (hyper)polarizabilities of these two model compounds are calculated at different levels of approximation in order to assess the impact of including electron correlation. As a function of the method of calculation antiparallel and parallel variations have been demonstrated for α and γ of the two model compounds, respectively. For the polarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset methods bracket the reference value obtained at the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples level whereas the projected unrestricted second-order Møller-Plesset results are in much closer agreement with the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples values than the projected unrestricted Hartree-Fock results. Moreover, the differences between the restricted open-shell Hartree-Fock and restricted open-shell second-order Møller-Plesset methods are small. In what concerns the second hyperpolarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset values remain of similar quality while using spin-projected schemes fails for the charged system but performs nicely for the neutral one. The restricted open-shell schemes, and especially the restricted open-shell second-order Møller-Plesset method, provide for both compounds γ values close to the results obtained at the unrestricted coupled cluster level including singles and doubles with a perturbative inclusion of the triples. Thus, to obtain well-converged α and γ values at low-order electron correlation levels, the removal of spin contamination is a necessary but not a sufficient condition. Density-functional theory calculations of α and γ have also been carried out using several exchange-correlation functionals. Those employing hybrid exchange-correlation functionals have been shown to reproduce fairly well the reference coupled cluster polarizability and second hyperpolarizability values. In addition, inclusion of Hartree-Fock exchange is of major importance for determining accurate polarizability whereas for the second hyperpolarizability the gradient corrections are large.

Novel spot size converter for coupling standard single mode fibers to SOI waveguides

NASA Astrophysics Data System (ADS)

Sisto, Marco Michele; Fisette, Bruno; Paultre, Jacques-Edmond; Paquet, Alex; Desroches, Yan

2016-03-01

We have designed and numerically simulated a novel spot size converter for coupling standard single mode fibers with 10.4μm mode field diameter to 500nm × 220nm SOI waveguides. Simulations based on the eigenmode expansion method show a coupling loss of 0.4dB at 1550nm for the TE mode at perfect alignment. The alignment tolerance on the plane normal to the fiber axis is evaluated at +/-2.2μm for <=1dB excess loss, which is comparable to the alignment tolerance between two butt-coupled standard single mode fibers. The converter is based on a cross-like arrangement of SiOxNy waveguides immersed in a 12μm-thick SiO2 cladding region deposited on top of the SOI chip. The waveguides are designed to collectively support a single degenerate mode for TE and TM polarizations. This guided mode features a large overlap to the LP01 mode of standard telecom fibers. Along the spot size converter length (450μm), the mode is first gradually confined in a single SiOxNy waveguide by tapering its width. Then, the mode is adiabatically coupled to a SOI waveguide underneath the structure through a SOI inverted taper. The shapes of SiOxNy and SOI tapers are optimized to minimize coupling loss and structure length, and to ensure adiabatic mode evolution along the structure, thus improving the design robustness to fabrication process errors. A tolerance analysis based on conservative microfabrication capabilities suggests that coupling loss penalty from fabrication errors can be maintained below 0.3dB. The proposed spot size converter is fully compliant to industry standard microfabrication processes available at INO.

Affective Synchrony in Dual- and Single-Smoker Couples: Further Evidence of “Symptom-System Fit”?

PubMed Central

ROHRBAUGH, MICHAEL J.; SHOHAM, VARDA; BUTLER, EMILYA.; HASLER, BRANT P.; BERMAN, JEFFREY S.

2009-01-01

Couples in which one or both partners smoked despite one of them having a heart or lung problem discussed a health-related disagreement before and during a period of laboratory smoking. Immediately afterwards, the partners in these 25 couples used independent joysticks to recall their continuous emotional experience during the interaction while watching themselves on video. A couple-level index of affective synchrony, reflecting correlated moment-to-moment change in the two partners’ joystick ratings, tended to increase from baseline to smoking for 9 dual-smoker couples but decrease for 16 single-smoker couples. Results suggest that coregulation of shared emotional experience could be a factor in smoking persistence, particularly when both partners in a couple smoke. Relationship-focused interventions addressing this fit between symptom and system may help smokers achieve stable cessation. PMID:19378645

High-fidelity gates towards a scalable superconducting quantum processor

NASA Astrophysics Data System (ADS)

Chow, Jerry M.; Corcoles, Antonio D.; Gambetta, Jay M.; Rigetti, Chad; Johnson, Blake R.; Smolin, John A.; Merkel, Seth; Poletto, Stefano; Rozen, Jim; Rothwell, Mary Beth; Keefe, George A.; Ketchen, Mark B.; Steffen, Matthias

2012-02-01

We experimentally explore the implementation of high-fidelity gates on multiple superconducting qubits coupled to multiple resonators. Having demonstrated all-microwave single and two qubit gates with fidelities > 90% on multi-qubit single-resonator systems, we expand the application to qubits across two resonators and investigate qubit coupling in this circuit. The coupled qubit-resonators are building blocks towards two-dimensional lattice networks for the application of surface code quantum error correction algorithms.

Diabatization for Time-Dependent Density Functional Theory: Exciton Transfers and Related Conical Intersections.

PubMed

Tamura, Hiroyuki

2016-11-23

Intermolecular exciton transfers and related conical intersections are analyzed by diabatization for time-dependent density functional theory. The diabatic states are expressed as a linear combination of the adiabatic states so as to emulate the well-defined reference states. The singlet exciton coupling calculated by the diabatization scheme includes contributions from the Coulomb (Förster) and electron exchange (Dexter) couplings. For triplet exciton transfers, the Dexter coupling, charge transfer integral, and diabatic potentials of stacked molecules are calculated for analyzing direct and superexchange pathways. We discuss some topologies of molecular aggregates that induce conical intersections on the vanishing points of the exciton coupling, namely boundary of H- and J-aggregates and T-shape aggregates, as well as canceled exciton coupling to the bright state of H-aggregate, i.e., selective exciton transfer to the dark state. The diabatization scheme automatically accounts for the Berry phase by fixing the signs of reference states while scanning the coordinates.

Mode coupling in hybrid square-rectangular lasers for single mode operation

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

Ma, Xiu-Wen; Huang, Yong-Zhen, E-mail: yzhuang@semi.ac.cn; Yang, Yue-De

Mode coupling between a square microcavity and a Fabry-Pérot (FP) cavity is proposed and demonstrated for realizing single mode lasers. The modulations of the mode Q factor as simulation results are observed and single mode operation is obtained with a side mode suppression ratio of 46 dB and a single mode fiber coupling loss of 3.2 dB for an AlGaInAs/InP hybrid laser as a 300-μm-length and 1.5-μm-wide FP cavity connected to a vertex of a 10-μm-side square microcavity. Furthermore, tunable single mode operation is demonstrated with a continuous wavelength tuning range over 10 nm. The simple hybrid structure may shed light on practicalmore » applications of whispering-gallery mode microcavities in large-scale photonic integrated circuits and optical communication and interconnection.« less

The Importance of Electron Correlation on Stacking Interaction of Adenine-Thymine Base-Pair Step in B-DNA: A Quantum Monte Carlo Study.

PubMed

Hongo, Kenta; Cuong, Nguyen Thanh; Maezono, Ryo

2013-02-12

We report fixed-node diffusion Monte Carlo (DMC) calculations of stacking interaction energy between two adenine(A)-thymine(T) base pairs in B-DNA (AA:TT), for which reference data are available, obtained from a complete basis set estimate of CCSD(T) (coupled-cluster with singles, doubles, and perturbative triples). We consider four sets of nodal surfaces obtained from self-consistent field calculations and examine how the different nodal surfaces affect the DMC potential energy curves of the AA:TT molecule and the resulting stacking energies. We find that the DMC potential energy curves using the different nodes look similar to each other as a whole. We also benchmark the performance of various quantum chemistry methods, including Hartree-Fock (HF) theory, second-order Møller-Plesset perturbation theory (MP2), and density functional theory (DFT). The DMC and recently developed DFT results of the stacking energy reasonably agree with the reference, while the HF, MP2, and conventional DFT methods give unsatisfactory results.

An investigation for the development of an integrated optical data preprocessor. [preprocessing remote sensor outputs

NASA Technical Reports Server (NTRS)

Verber, C. M.; Kenan, R. P.; Hartman, N. F.; Chapman, C. M.

1980-01-01

A laboratory model of a 16 channel integrated optical data preprocessor was fabricated and tested in response to a need for a device to evaluate the outputs of a set of remote sensors. It does this by accepting the outputs of these sensors, in parallel, as the components of a multidimensional vector descriptive of the data and comparing this vector to one or more reference vectors which are used to classify the data set. The comparison is performed by taking the difference between the signal and reference vectors. The preprocessor is wholly integrated upon the surface of a LiNbO3 single crystal with the exceptions of the source and the detector. He-Ne laser light is coupled in and out of the waveguide by prism couplers. The integrated optical circuit consists of a titanium infused waveguide pattern, electrode structures and grating beam splitters. The waveguide and electrode patterns, by virtue of their complexity, make the vector subtraction device the most complex integrated optical structure fabricated to date.

Numerical aperture limits on efficient ball lens coupling of laser diodes to single-mode fibers with defocus to balance spherical aberration

NASA Technical Reports Server (NTRS)

Wilson, R. Gale

1994-01-01

The potential capabilities and limitations of single ball lenses for coupling laser diode radiation to single-mode optical fibers have been analyzed; parameters important to optical communications were specifically considered. These parameters included coupling efficiency, effective numerical apertures, lens radius, lens refractive index, wavelength, magnification in imaging the laser diode on the fiber, and defocus to counterbalance spherical aberration of the lens. Limiting numerical apertures in object and image space were determined under the constraint that the lens perform to the Rayleigh criterion of 0.25-wavelength (Strehl ratio = 0.80). The spherical aberration-defocus balance to provide an optical path difference of 0.25 wavelength units was shown to define a constant coupling efficiency (i.e., 0.56). The relative numerical aperture capabilities of the ball lens were determined for a set of wavelengths and associated fiber-core diameters of particular interest for single-mode fiber-optic communication. The results support general continuing efforts in the optical fiber communications industry to improve coupling links within such systems with emphasis on manufacturing simplicity, system packaging flexibility, relaxation of assembly alignment tolerances, cost reduction of opto-electronic components and long term reliability and stability.

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.

Switching power pulse system

DOEpatents

Aaland, K.

1983-08-09

A switching system for delivering pulses of power from a source to a load using a storage capacitor charged through a rectifier, and maintained charged to a reference voltage level by a transistor switch and voltage comparator. A thyristor is triggered to discharge the storage capacitor through a saturable reactor and fractional turn saturable transformer having a secondary to primary turn ratio N of n:l/n = n[sup 2]. The saturable reactor functions as a soaker'' while the thyristor reaches saturation, and then switches to a low impedance state. The saturable transformer functions as a switching transformer with high impedance while a load coupling capacitor charges, and then switches to a low impedance state to dump the charge of the storage capacitor into the load through the coupling capacitor. The transformer is comprised of a multilayer core having two secondary windings tightly wound and connected in parallel to add their output voltage and reduce output inductance, and a number of single turn windings connected in parallel at nodes for the primary winding, each single turn winding linking a different one of the layers of the multilayer core. The load may be comprised of a resistive beampipe for a linear particle accelerator and capacitance of a pulse forming network. To hold off discharge of the capacitance until it is fully charged, a saturable core is provided around the resistive beampipe to isolate the beampipe from the capacitance until it is fully charged. 5 figs.

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.

Efficient interface for online coupling of capillary electrophoresis with inductively coupled plasma-mass spectrometry and its application in simultaneous speciation analysis of arsenic and selenium.

PubMed

Liu, Lihong; Yun, Zhaojun; He, Bin; Jiang, Guibin

2014-08-19

A simple and highly efficient online system coupling of capillary electrophoresis to inductively coupled plasma-mass spectrometry (CE-ICP-MS) for simultaneous separation and determination of arsenic and selenium compounds was developed. CE was coupled to an ICP-MS system by a sprayer with a novel direct-injection high-efficiency nebulizer (DIHEN) chamber as the interface. By using this interface, six arsenic species, including arsenite (As(III), arsenate (As(V)), monomethylarsonic acid (MMA), dimethylarsinic acid (DMA), arsenobetaine (AsB), and arsenocholine (AsC) and five selenium species (such as sodium selenite (Se(IV)), sodium selenate (Se(VI)), selenocysteine (SeCys), selenomethionine (SeMet), and Se-methylselenocysteine (MeSeCys)) were baseline-separated and determined in a single run within 9 min under the optimized conditions. Minimum dead volume, low and steady sheath flow liquid, high nebulization efficiency, and high sample transport efficiency were obtained by using this interface. Detection limits were in the range of 0.11-0.37 μg L(-1) for the six arsenic compounds (determined as (75)As at m/z 75) and 1.33-2.31 μg L(-1) for the five selenium species (determined as (82)Se at m/z 82). Repeatability expressed as the relative standard deviations (RSD, n = 6) of both migration time and peak area were better than 2.68% for arsenic compounds and 3.28% for selenium compounds, respectively. The proposed method had been successfully applied for the determination of arsenic and selenium species in the certified reference materials DORM-3, water, urine, and fish samples.

The electronic structure of vanadium monochloride cation (VCl+): Tackling the complexities of transition metal species

NASA Astrophysics Data System (ADS)

DeYonker, Nathan J.; Halfen, DeWayne T.; Allen, Wesley D.; Ziurys, Lucy M.

2014-11-01

Six electronic states (X 4Σ-, A 4Π, B 4Δ, 2Φ, 2Δ, 2Σ+) of the vanadium monochloride cation (VCl+) are described using large basis set coupled cluster theory. For the two lowest quartet states (X 4Σ- and A 4Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T0) and spectroscopic constants (re, r0, Be, B0, bar De, He, ωe, v0, αe, ωexe) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X 4Σ-), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state (2Γ) has a Te of ˜11 200 cm-1. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.

Coupled potential energy surface for the F(2P)+CH4→HF+CH3 entrance channel and quantum dynamics of the CH4·F- photodetachment.

PubMed

Westermann, Till; Eisfeld, Wolfgang; Manthe, Uwe

2013-07-07

An approach to construct vibronically and spin-orbit coupled diabatic potential energy surfaces (PESs) which describe all three relevant electronic states in the entrance channels of the X(P) + CH4 →HX + CH3 reactions (with X=F((2)P), Cl((2)P), or O((3)P)) is introduced. The diabatization relies on the permutational symmetry present in the methane molecule and results in diabatic states which transform as the three p orbitals of the X atom. Spin-orbit coupling is easily and accurately included using the atomic spin-orbit coupling matrix of the isolated X atom. The method is applied to the F + CH4 system obtaining an accurate PES for the entrance channel based on ab initio multi-reference configuration interaction (MRCI) calculations. Comparing the resulting PESs with spin-orbit MRCI calculations, excellent agreement is found for the excited electronic states at all relevant geometries. The photodetachment spectrum of CH4·F(-) is investigated via full-dimensional (12D) quantum dynamics calculations on the coupled PESs using the multi-layer multi-configurational time-dependent Hartree approach. Extending previous work [J. Palma and U. Manthe, J. Chem. Phys. 137, 044306 (2012)], which was restricted to the dynamics on a single adiabatic PES, the contributions of the electronically excited states to the photodetachment spectrum are calculated and compared to experiment. Considering different experimental setups, good agreement between experiment and theory is found. Addressing questions raised in the previous work, the present dynamical calculations show that the main contribution to the second peak in the photodetachment spectrum results from electron detachment into the electronically excited states of the CH4F complex.

Excited states with internally contracted multireference coupled-cluster linear response theory.

PubMed

Samanta, Pradipta Kumar; Mukherjee, Debashis; Hanauer, Matthias; Köhn, Andreas

2014-04-07

In this paper, the linear response (LR) theory for the variant of internally contracted multireference coupled cluster (ic-MRCC) theory described by Hanauer and Köhn [J. Chem. Phys. 134, 204211 (2011)] has been formulated and implemented for the computation of the excitation energies relative to a ground state of pronounced multireference character. We find that straightforward application of the linear-response formalism to the time-averaged ic-MRCC Lagrangian leads to unphysical second-order poles. However, the coupling matrix elements that cause this behavior are shown to be negligible whenever the internally contracted approximation as such is justified. Hence, for the numerical implementation of the method, we adopt a Tamm-Dancoff-type approximation and neglect these couplings. This approximation is also consistent with an equation-of-motion based derivation, which neglects these couplings right from the start. We have implemented the linear-response approach in the ic-MRCC singles-and-doubles framework and applied our method to calculate excitation energies for a number of molecules ranging from CH2 to p-benzyne and conjugated polyenes (up to octatetraene). The computed excitation energies are found to be very accurate, even for the notoriously difficult case of doubly excited states. The ic-MRCC-LR theory is also applicable to systems with open-shell ground-state wavefunctions and is by construction not biased towards a particular reference determinant. We have also compared the linear-response approach to the computation of energy differences by direct state-specific ic-MRCC calculations. We finally compare to Mk-MRCC-LR theory for which spurious roots have been reported [T.-C. Jagau and J. Gauss, J. Chem. Phys. 137, 044116 (2012)], being due to the use of sufficiency conditions to solve the Mk-MRCC equations. No such problem is present in ic-MRCC-LR theory.

Coupling of small, low-loss hexapole mode with photonic crystal slab waveguide mode.

PubMed

Kim, Guk-Hyun; Lee, Yong-Hee; Shinya, Akihiko; Notomi, Masaya

2004-12-27

Coupling characteristics between the single-cell hexapole mode and the triangular-lattice photonic crystal slab waveguide mode is studied by the finite-difference time-domain method. The single-cell hexapole mode has a high quality factor (Q) of 3.3Chi106 and a small modal volume of 1.18(lambda/n)3. Based on the symmetry, three representative types of coupling geometries (shoulder-couple, butt-couple and side-couple structures) are selected and tested. The coupling efficiency shows strong dependence on the transverse overlap of the cavity mode and the waveguide mode over the region of the waveguide. The shoulder-couple structure shows best coupling characteristics among three tested structures. For example, two shouldercouple waveguides and a hexapole cavity result in a high performance resonant-tunneling-filter with Q of 9.7Chi105 and transmittance of 0.48. In the side-couple structure, the coupling strength is much weaker than that of the shoulder-couple structure because of the poor spatial overlap between the mode profiles. In the direct-couple structure, the energy transfer from the cavity to the waveguide is prohibited because of the symmetry mismatch and no coupling is observed.

Coherent interaction of single molecules and plasmonic nanowires

NASA Astrophysics Data System (ADS)

Gerhardt, Ilja; Grotz, Bernhard; Siyushev, Petr; Wrachtrup, Jörg

2017-09-01

Quantum plasmonics opens the option to integrate complex quantum optical circuitry onto chip scale devices. In the past, often external light sources were used and nonclassical light was coupled in and out of plasmonic structures, such as hole arrays or waveguide structures. Another option to launch single plasmonic excitations is the coupling of single emitters in the direct proximity of, e.g., a silver or gold nanostructure. Here, we present our attempts to integrate the research of single emitters with wet-chemically grown silver nanowires. The emitters of choice are single organic dye molecules under cryogenic conditions, which are known to act as high-brightness and extremely narrow-band single photon sources. Another advantage is their high optical nonlinearity, such that they might mediate photon-photon interactions on the nanoscale. We report on the coupling of a single molecule fluorescence emission through the wire over the length of several wavelengths. The transmission of coherently emitted photons is proven by an extinction type experiment. As for influencing the spectral properties of a single emitter, we are able to show a remote change of the line-width of a single terrylene molecule, which is in close proximity to the nanowire.

Coupling Single-Mode Fiber to Uniform and Symmetrically Tapered Thin-Film Waveguide Structures Using Gadolinium Gallium Garnet

NASA Technical Reports Server (NTRS)

Gadi, Jagannath; Yalamanchili, Raj; Shahid, Mohammad

1995-01-01

The need for high efficiency components has grown significantly due to the expanding role of fiber optic communications for various applications. Integrated optics is in a state of metamorphosis and there are many problems awaiting solutions. One of the main problems being the lack of a simple and efficient method of coupling single-mode fibers to thin-film devices for integrated optics. In this paper, optical coupling between a single-mode fiber and a uniform and tapered thin-film waveguide is theoretically modeled and analyzed. A novel tapered structure presented in this paper is shown to produce perfect match for power transfer.

Optical voltage reference

DOEpatents

Rankin, Richard; Kotter, Dale

1994-01-01

An optical voltage reference for providing an alternative to a battery source. The optical reference apparatus provides a temperature stable, high precision, isolated voltage reference through the use of optical isolation techniques to eliminate current and impedance coupling errors. Pulse rate frequency modulation is employed to eliminate errors in the optical transmission link while phase-lock feedback is employed to stabilize the frequency to voltage transfer function.

Single photon detection in a waveguide-coupled Ge-on-Si lateral avalanche photodiode.

PubMed

Martinez, Nicholas J D; Gehl, Michael; Derose, Christopher T; Starbuck, Andrew L; Pomerene, Andrew T; Lentine, Anthony L; Trotter, Douglas C; Davids, Paul S

2017-07-10

We examine gated-Geiger mode operation of an integrated waveguide-coupled Ge-on-Si lateral avalanche photodiode (APD) and demonstrate single photon detection at low dark count for this mode of operation. Our integrated waveguide-coupled APD is fabricated using a selective epitaxial Ge-on-Si growth process resulting in a separate absorption and charge multiplication (SACM) design compatible with our silicon photonics platform. Single photon detection efficiency and dark count rate is measured as a function of temperature in order to understand and optimize performance characteristics in this device. We report single photon detection of 5.27% at 1310 nm and a dark count rate of 534 kHz at 80 K for a Ge-on-Si single photon avalanche diode. Dark count rate is the lowest for a Ge-on-Si single photon detector in this range of temperatures while maintaining competitive detection efficiency. A jitter of 105 ps was measured for this device.

Two semiconductor ring lasers coupled by a single-waveguide for optical memory operation

NASA Astrophysics Data System (ADS)

Van der Sande, Guy; Coomans, Werner; Gelens, Lendert

2014-05-01

Semiconductor ring lasers are semiconductor lasers where the laser cavity consists of a ring-shaped waveguide. SRLs are highly integrable and scalable, making them ideal candidates for key components in photonic integrated circuits. SRLs can generate light in two counterpropagating directions between which bistability has been demonstrated. Hence, information can be coded into the emission direction. This bistable operation allows SRLs to be used in systems for all-optical switching and as all-optical memories. For the demonstration of fast optical flip-flop operation, Hill et al. [Nature 432, 206 (2004)] fabricated two SRLs coupled by a single waveguide, rather than a solitary SRL. Nevertheless, the literature shows that a single SRL can also function perfectly as an all-optical memory. In our recent paper [W. Coomans et al., Phys. Rev. A 88, 033813, (2013)], we have raised the question whether coupling two SRLs to realize a single optical memory has any advantage over using a solitary SRL, taking into account the obvious disadvantage of a doubled footprint and power consumption. To provide the answer, we have presented in that paper a numerical study of the dynamical behavior of semiconductor ring lasers coupled by a single bus waveguide, both when weakly coupled and when strongly coupled. We have provided a detailed analysis of the multistable landscape in the coupled system, analyzed the stability of all solutions and related the internal dynamics in the individual lasers to the field effectively measured at the output of the waveguide. We have shown which coupling phases generally promote instabilities and therefore need to be avoided in the design. Regarding all-optical memory operation, we have demonstrated that there is no real advantage for bistable memory operation compared to using a solitary SRL. An increased power suppression ratio has been found to be mainly due to the destructive interference of the SRL fields at the low power port. Also, multistability between several modal configurations has been shown to remain unavoidable.

Theoretical Studies of Microstrip Antennas : Volume I, General Design Techniques and Analyses of Single and Coupled Elements

DOT National Transportation Integrated Search

1979-09-01

Volume 1 of Theoretical Studies of Microstrip Antennas deals with general techniques and analyses of single and coupled radiating elements. Specifically, we review and then employ an important equivalence theorem that allows a pair of vector potentia...

Semiconductor ring lasers coupled by a single waveguide

NASA Astrophysics Data System (ADS)

Coomans, W.; Gelens, L.; Van der Sande, G.; Mezosi, G.; Sorel, M.; Danckaert, J.; Verschaffelt, G.

2012-06-01

We experimentally and theoretically study the characteristics of semiconductor ring lasers bidirectionally coupled by a single bus waveguide. This configuration has, e.g., been suggested for use as an optical memory and as an optical neural network motif. The main results are that the coupling can destabilize the state in which both rings lase in the same direction, and it brings to life a state with equal powers at both outputs. These are both undesirable for optical memory operation. Although the coupling between the rings is bidirectional, the destabilization occurs due to behavior similar to an optically injected laser system.

Optical signatures of coupled quantum dots.

PubMed

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

2006-02-03

An asymmetric pair of coupled InAs quantum dots is tuned into resonance by applying an electric field so that a single hole forms a coherent molecular wave function. The optical spectrum shows a rich pattern of level anticrossings and crossings that can be understood as a superposition of charge and spin configurations of the two dots. Coulomb interactions shift the molecular resonance of the optically excited state (charged exciton) with respect to the ground state (single charge), enabling light-induced coupling of the quantum dots. This result demonstrates the possibility of optically coupling quantum dots for application in quantum information processing.

Optical Signatures of Coupled Quantum Dots

NASA Astrophysics Data System (ADS)

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

2006-02-01

An asymmetric pair of coupled InAs quantum dots is tuned into resonance by applying an electric field so that a single hole forms a coherent molecular wave function. The optical spectrum shows a rich pattern of level anticrossings and crossings that can be understood as a superposition of charge and spin configurations of the two dots. Coulomb interactions shift the molecular resonance of the optically excited state (charged exciton) with respect to the ground state (single charge), enabling light-induced coupling of the quantum dots. This result demonstrates the possibility of optically coupling quantum dots for application in quantum information processing.

Antenna-Coupled Superconducting Tunnel Junctions with Single-Electron Transistor Readout for Detection of Sub-mm Radiation

NASA Technical Reports Server (NTRS)

Stevenson, T. R.; Hsieh, W.-T.; Li, M. J.; Stahle, C. M.; Wollack, E. J.; Schoelkopf, R. J.; Teufel, J.; Krebs, Carolyn (Technical Monitor)

2002-01-01

Antenna-coupled superconducting tunnel junction detectors have the potential for photon-counting sensitivity at sub-mm wavelengths. The device consists of an antenna structure to couple radiation into a small superconducting volume and cause quasiparticle excitations, and a single-electron transistor to measure currents through tunnel junction contacts to the absorber volume. We will describe optimization of device parameters, and recent results on fabrication techniques for producing devices with high yield for detector arrays. We will also present modeling of expected saturation power levels, antenna coupling, and rf multiplexing schemes.

Tags, wireless communication systems, tag communication methods, and wireless communications methods

DOEpatents

Scott,; Jeff W. , Pratt; Richard, M [Richland, WA

2006-09-12

Tags, wireless communication systems, tag communication methods, and wireless communications methods are described. In one aspect, a tag includes a plurality of antennas configured to receive a plurality of first wireless communication signals comprising data from a reader, a plurality of rectifying circuits coupled with. respective individual ones of the antennas and configured to provide rectified signals corresponding to the first wireless communication signals, wherein the rectified signals are combined to produce a composite signal, an adaptive reference circuit configured to vary a reference signal responsive to the composite signal, a comparator coupled with the adaptive reference circuit and the rectifying circuits and configured to compare the composite signal with respect to the reference signal and to output the data responsive to the comparison, and processing circuitry configured to receive the data from the comparator and to process the data.

The effect of self-disclosure skill training on communication patterns of referred couples to counseling clinics.

PubMed

Zarei, Eghbal; Sanaeimanesh, Mehri

2014-01-01

This study aimed to examine the effect of self-disclosure skill training on communication patterns of referred couples to counseling clinics in Bandar Abbas. The applied research design was an experimental study using pre-test and post-test, which was performed on a population of all referred couples to counseling clinics in Bandar Abbas who were interested to participate in a self-disclosure training workshop in response to the announcement. This study was performed on 26 couples who were selected by simple, convenient sampling method; however, they were randomly assigned to the control and experiment groups. A pre-test was administrated before self-disclosure training. The applied instrument includes Christensen and Salavy's scale of communication patterns. Participants in the experiment group had six sessions of training workshop, each lasted for 90 min. After the intervention, both groups answered the questionnaire again. The collected data were analyzed with paired t-test and covariance statistics. The results showed that the intervention led to significant (p < 0.05) increase in mutual constructive communication pattern and a reduction in mutual avoidance, demand/withdraw, demanding man/withdrawing woman communication patterns. It was also found that the training was not effective on the communication pattern of demanding woman/withdrawing man. The training of simple, but important skills of self-disclosure can help couples to improve their communication and consequently improve their marital satisfaction.

Improving the Amazonian Hydrologic Cycle in a Coupled Land-Atmosphere, Single Column Model

NASA Astrophysics Data System (ADS)

Harper, A. B.; Denning, S.; Baker, I.; Prihodko, L.; Branson, M.

2006-12-01

We have coupled a land-surface model, the Simple Biosphere Model (SiB3), to a single column of the Colorado State University General Circulation Model (CSU-GCM) in the Amazon River Basin. This is a preliminary step in the broader goal of improved simulation of Basin-wide hydrology. A previous version of the coupled model (SiB2) showed drought and catastrophic dieback of the Amazon rain forest. SiB3 includes updated soil hydrology and root physiology. Our test area for the coupled single column model is near Santarem, Brazil, where measurements from the km 83 flux tower in the Tapajos National Forest can be used to evaluate model output. The model was run for 2001 using NCEP2 Reanalysis as driver data. Preliminary results show that the updated biosphere model coupled to the GCM produces improved simulations of the seasonal cycle of surface water balance and precipitation. Comparisons of the diurnal and seasonal cycles of surface fluxes are also being made.

Fano-Agarwal couplings and non-rotating wave approximation in single-photon timed Dicke subradiance

NASA Astrophysics Data System (ADS)

Mirza, Imran M.; Begzjav, Tuguldur

2016-04-01

Recently a new class of single-photon timed Dicke (TD) subradiant states has been introduced with possible applications in single-photon-based quantum information storage and on demand ultrafast retrieval (Scully M. O., Phys. Rev. Lett., 115 (2015) 243602). However, the influence of any kind of virtual processes on the decay of these new kind of subradiant states has been left as an open question. In the present paper, we focus on this problem in detail. In particular, we investigate how pure Fano-Agarwal couplings and other virtual processes arising from non-rotating wave approximation impact the decay of otherwise sub- and superradiant states. In addition to the overall virtual couplings among all TD states, we also focus on the dominant role played by the couplings between specific TD states.

Field Telemetry of Blade-rotor Coupled Torsional Vibration at Matuura Power Station Number 1 Unit

NASA Technical Reports Server (NTRS)

Isii, Kuniyoshi; Murakami, Hideaki; Otawara, Yasuhiko; Okabe, Akira

1991-01-01

The quasi-modal reduction technique and finite element model (FEM) were used to construct an analytical model for the blade-rotor coupled torsional vibration of a steam turbine generator of the Matuura Power Station. A single rotor test was executed in order to evaluate umbrella vibration characteristics. Based on the single rotor test results and the quasi-modal procedure, the total rotor system was analyzed to predict coupled torsional frequencies. Finally, field measurement of the vibration of the last stage buckets was made, which confirmed that the double synchronous resonance was 124.2 Hz, meaning that the machine can be safely operated. The measured eigen values are very close to the predicted value. The single rotor test and this analytical procedure thus proved to be a valid technique to estimate coupled torsional vibration.

Coupling of individual quantum emitters to channel plasmons.

PubMed

Bermúdez-Ureña, Esteban; Gonzalez-Ballestero, Carlos; Geiselmann, Michael; Marty, Renaud; Radko, Ilya P; Holmgaard, Tobias; Alaverdyan, Yury; Moreno, Esteban; García-Vidal, Francisco J; Bozhevolnyi, Sergey I; Quidant, Romain

2015-08-07

Efficient light-matter interaction lies at the heart of many emerging technologies that seek on-chip integration of solid-state photonic systems. Plasmonic waveguides, which guide the radiation in the form of strongly confined surface plasmon-polariton modes, represent a promising solution to manipulate single photons in coplanar architectures with unprecedented small footprints. Here we demonstrate coupling of the emission from a single quantum emitter to the channel plasmon polaritons supported by a V-groove plasmonic waveguide. Extensive theoretical simulations enable us to determine the position and orientation of the quantum emitter for optimum coupling. Concomitantly with these predictions, we demonstrate experimentally that 42% of a single nitrogen-vacancy centre emission efficiently couples into the supported modes of the V-groove. This work paves the way towards practical realization of efficient and long distance transfer of energy for integrated solid-state quantum systems.

All-fiber bandpass filter based on asymmetrical modes exciting and coupling

NASA Astrophysics Data System (ADS)

Zhang, Qiang; Zhu, Tao; Shi, Leilei; Liu, Min

2013-01-01

A low cost all-fiber bandpass filter is demonstrated by fabricating an asymmetric long-period fiber grating (LPFG) in an off-set splicing fiber structure of two single mode fibers in this paper. The main principle of the filter is that the asymmetric LPFG written by single-side CO2 laser irradiation is used to couple the asymmetric cladding modes excited by the offset-coupling of the splicing point between the single mode fiber and the grating, and the left core mode of the splicing point cannot be coupled to the right fiber core, hence the interference effect is avoided. So the bandpass characteristics in the transmission spectrum are achieved. The designed filter exhibits a pass band at a central wavelength of 1565.0 nm with a full-width at half-maximum bandwidth of 12.3 nm.

De novo assembly and phasing of a Korean human genome.

PubMed

Seo, Jeong-Sun; Rhie, Arang; Kim, Junsoo; Lee, Sangjin; Sohn, Min-Hwan; Kim, Chang-Uk; Hastie, Alex; Cao, Han; Yun, Ji-Young; Kim, Jihye; Kuk, Junho; Park, Gun Hwa; Kim, Juhyeok; Ryu, Hanna; Kim, Jongbum; Roh, Mira; Baek, Jeonghun; Hunkapiller, Michael W; Korlach, Jonas; Shin, Jong-Yeon; Kim, Changhoon

2016-10-13

Advances in genome assembly and phasing provide an opportunity to investigate the diploid architecture of the human genome and reveal the full range of structural variation across population groups. Here we report the de novo assembly and haplotype phasing of the Korean individual AK1 (ref. 1) using single-molecule real-time sequencing, next-generation mapping, microfluidics-based linked reads, and bacterial artificial chromosome (BAC) sequencing approaches. Single-molecule sequencing coupled with next-generation mapping generated a highly contiguous assembly, with a contig N50 size of 17.9 Mb and a scaffold N50 size of 44.8 Mb, resolving 8 chromosomal arms into single scaffolds. The de novo assembly, along with local assemblies and spanning long reads, closes 105 and extends into 72 out of 190 euchromatic gaps in the reference genome, adding 1.03 Mb of previously intractable sequence. High concordance between the assembly and paired-end sequences from 62,758 BAC clones provides strong support for the robustness of the assembly. We identify 18,210 structural variants by direct comparison of the assembly with the human reference, identifying thousands of breakpoints that, to our knowledge, have not been reported before. Many of the insertions are reflected in the transcriptome and are shared across the Asian population. We performed haplotype phasing of the assembly with short reads, long reads and linked reads from whole-genome sequencing and with short reads from 31,719 BAC clones, thereby achieving phased blocks with an N50 size of 11.6 Mb. Haplotigs assembled from single-molecule real-time reads assigned to haplotypes on phased blocks covered 89% of genes. The haplotigs accurately characterized the hypervariable major histocompatability complex region as well as demonstrating allele configuration in clinically relevant genes such as CYP2D6. This work presents the most contiguous diploid human genome assembly so far, with extensive investigation of unreported and Asian-specific structural variants, and high-quality haplotyping of clinically relevant alleles for precision medicine.

Laterally Coupled Distributed-Feedback GaSb-Based Diode Lasers for Atmospheric Gas Detection at 2 Microns

NASA Technical Reports Server (NTRS)

Briggs, Ryan M.; Frez, Clifford; Ksendzov, Alexander; Franz, Kale J.; Bagheri, Mahmood; Forouhar, Siamak

2012-01-01

We demonstrate single-mode laterally coupled distributed-feedback diode lasers at 2.05 microns employing low-loss etched gratings. Single-facet CW output exceeds 50 mW near room temperature with linewidth below 1 MHz over 10-ms observation times

Open-label, randomized, single-dose, crossover study to evaluate the pharmacokinetics and safety differences between two docetaxel products, CKD-810 and Taxotere injection, in patients with advanced solid cancer.

PubMed

Cho, Eun Kyung; Park, Ji-Young; Lee, Kyung Hee; Song, Hong Suk; Min, Young Joo; Kim, Yeul Hong; Kang, Jin-Hyoung

2014-01-01

The aim of this study was to compare CKD-810 (test docetaxel) with Taxotere(®) (reference docetaxel) in terms of pharmacokinetics and safety for patients with advanced or metastatic carcinoma. A randomized, open-label, two-way crossover study was conducted in eligible patients. Patients received with reference or test drugs of 75 mg/m(2) docetaxel by intravenous infusion for 60 min in the first period and the alternative drug in the second period with a washout of 3 weeks. Plasma concentrations of docetaxel were determined by validated high-performance liquid chromatography coupled to tandem mass spectrometry detection. Pharmacokinetic parameters, including the maximum plasma concentration (C(max)) and the area under the concentration-time curve (AUC), were determined by non-compartmental analysis. A total of 44 patients were included in the study, 21 patients received test drug and 23 received reference drug for the first cycle. The C(max) of docetaxel was 2,658.77 ng/mL for test drug and 2,827.60 ng/mL for reference drug, and two drugs showed no difference with a statistical significance. Time to reach C(max) (T(max)) of CKD-810 (0.94 h) versus reference docetaxel (0.97 h) was also not significantly different. Other pharmacokinetic parameters including the plasma AUC, elimination half-life, and total body clearance exhibited similar values without a significant difference. The most common grade 3 or 4 toxicity was neutropenia (CKD-810 19.5 or 29.3 %; reference docetaxel 14.6 or 41.5 %). Febrile neutropenia was experienced by only one patient in each group. Two patients died of progression of disease during the study. Docetaxel anhydrous CKD-810 use with patients suffering advanced or metastatic solid malignancies was equivalent to reference docetaxel in terms of pharmacokinetic parameters and safety profile. Additionally, the test and reference drug met the regulatory criteria for pharmacokinetic equivalence.

Distributed meandering waveguides (DMWs) for novel photonic circuits (Conference Presentation)

NASA Astrophysics Data System (ADS)

Dag, Ceren B.; Anil, Mehmet Ali; Serpengüzel, Ali

2017-05-01

Meandering waveguide distributed feedback structures are novel integrated photonic lightwave and microwave circuit elements. Meandering waveguide distributed feedback structures with a variety of spectral responses can be designed for a variety of lightwave and microwave circuit element functions. Distributed meandering waveguide (DMW) structures [1] show a variety of spectral behaviors with respect to the number of meandering loop mirrors (MLMs) [2] used in their composition as well as their internal coupling constants (Cs). DMW spectral behaviors include Fano resonances, coupled resonator induced transparency (CRIT), notch, add-drop, comb, and hitless filters. What makes the DMW special is the self-coupling property intrinsic to the DMW's nature. The basic example of DMW's nature is motivated through the analogy between the so-called symmetric meandering resonator (SMR), which consists of two coupled MLMs, and the resonator enhanced Mach-Zehnder interferometer (REMZI) [3]. A SMR shows the same spectral characteristics of Fano resonances with its self-coupling property, similar to the single, distributed and binary self coupled optical waveguide (SCOW) resonators [4]. So far DMWs have been studied for their electric field intensity, phase [5] and phasor responses [6]. The spectral analysis is performed using the coupled electric field analysis and the generalization of single meandering loop mirrors to multiple meandering distributed feedback structures is performed with the transfer matrix method. The building block of the meandering waveguide structures, the meandering loop mirror (MLM), is the integrated analogue of the fiber optic loop mirrors. The meandering resonator (MR) is composed of two uncoupled MLM's. The meandering distributed feedback (MDFB) structure is the DFB of the MLM. The symmetric MR (SMR) is composed of two coupled MLM's, and has the characteristics of a Fano resonator in the general case, and tunable power divider or tunable hitless filter in special cases. The antisymmetric MR (AMR) is composed of two coupled MLM's. The AMR has the characteristics of an add-drop filter in the general case, and coupled resonator induced transparency (CRIT) filter in a special case. The symmetric MDFB (SMDFB) is composed of multiple coupled MLM's. The antisymmetric MDFB (AMDFB) is composed of multiple coupled MLM's. The SMDFB and AMDFB can be utilized as band-pass, Fano, or Lorentzian filters, or Rabi splitters. Distributed meandering waveguide elements with extremely rich spectral and phase responses can be designed with creative combinations of distributed meandering waveguides structures for various novel photonic circuits. References [1 ] C. B. Dağ, M. A. Anıl, and A. Serpengüzel, "Meandering Waveguide Distributed Feedback Lightwave Circuits," J. Lightwave Technol, vol. 33, no. 9, pp. 1691-1702, May 2015. [2] N. J. Doran and D. Wood, "Nonlinear-optical loop mirror," Opt. Lett. vol. 13, no. 1, pp. 56-58, Jan. 1988. [3] L. Zhou and A. W. Poon, "Fano resonance-based electrically reconfigurable add-drop filters in silicon microring resonator-coupled Mach-Zehnder interferometers," Opt. Lett. vol. 32, no. 7, pp. 781-783, Apr. 2007. [4] Z. Zou, L. Zhou, X. Sun, J. Xie, H. Zhu, L. Lu, X. Li, and J. Chen, "Tunable two-stage self-coupled optical waveguide resonators," Opt. Lett. vol. 38, no. 8, pp. 1215-1217, Apr. 2013. [5] C. B. Dağ, M. A. Anıl, and A. Serpengüzel, "Novel distributed feedback lightwave circuit elements," in Proc. SPIE, San Francisco, 2015, vol. 9366, p. 93660A. [6] C. B. Dağ, M. A. Anıl, and A. Serpengüzel, "Meandering Waveguide Distributed Feedback Lightwave Elements: Phasor Diagram Analysis," in Proc. PIERS, Prague, 1986-1990 (2015).

Study of gain-coupled distributed feedback laser based on high order surface gain-coupled gratings

NASA Astrophysics Data System (ADS)

Gao, Feng; Qin, Li; Chen, Yongyi; Jia, Peng; Chen, Chao; Cheng, LiWen; Chen, Hong; Liang, Lei; Zeng, Yugang; Zhang, Xing; Wu, Hao; Ning, Yongqiang; Wang, Lijun

2018-03-01

Single-longitudinal-mode, gain-coupled distributed feedback (DFB) lasers based on high order surface gain-coupled gratings are achieved. Periodic surface metal p-contacts with insulated grooves realize gain-coupled mechanism. To enhance gain contrast in the quantum wells without the introduction of effective index-coupled effect, groove length and depth were well designed. Our devices provided a single longitudinal mode with the maximum CW output power up to 48.8 mW/facet at 971.31 nm at 250 mA without facet coating, 3dB linewidth (<3.2 pm) and SMSR (>39 dB). Optical bistable characteristic was observed with a threshold current difference. Experimentally, devices with different cavity lengths were contrasted on power-current and spectrum characteristics. Due to easy fabrication technique and stable performance, it provides a method of fabricating practical gain-coupled distributed feedback lasers for commercial applications.

An evaluation of light intensity functions for determination of shaded reference stream metabolism.

PubMed

Zell, Chris; Hubbart, Jason A

2012-04-30

The performance of three single-station whole stream metabolism models were evaluated within three shaded, seasonally hypoxic, Missouri reference streams using high resolution (15-minute) dissolved oxygen (DO), temperature, and light intensity data collected during the summers (July-September) of 2006-2008. The model incorporating light intensity data consistently achieved a lower root mean square error (median RMSE = 0.20 mg L(-1)) relative to models assuming sinusoidal light intensity functions (median RMSE = 0.28 mg L(-1)) and constant diel temperature (median RMSE = 0.53 mg L(-1)). Incorporation of site-specific light intensity into metabolism models better predicted morning DO concentrations and exposure to hypoxic conditions in shaded study streams. Model choice significantly affected (p < 0.05) rate estimates for daily average photosynthesis. Low reaeration (pooled site mean 1.1 day(-1) at 20 °C) coupled with summer temperatures (pooled site mean = 25.8 °C) and low to moderate community respiration (site median 1.0-3.0 g O(2) m(-2) day(-1)) yielded diel dissolved oxygen concentrations near or below critical aquatic life thresholds in studied reference streams. Quantifying these process combinations in best-available or least-disturbed (i.e., reference) systems advances our understanding of regional dissolved oxygen expectations and informs environmental management policy. Additional research is warranted to better link landscape processes with distributed sources that contribute to community respiration. Copyright © 2011 Elsevier Ltd. All rights reserved.

Reference Manual for the System Advisor Model's Wind Power Performance Model

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

Freeman, J.; Jorgenson, J.; Gilman, P.

2014-08-01

This manual describes the National Renewable Energy Laboratory's System Advisor Model (SAM) wind power performance model. The model calculates the hourly electrical output of a single wind turbine or of a wind farm. The wind power performance model requires information about the wind resource, wind turbine specifications, wind farm layout (if applicable), and costs. In SAM, the performance model can be coupled to one of the financial models to calculate economic metrics for residential, commercial, or utility-scale wind projects. This manual describes the algorithms used by the wind power performance model, which is available in the SAM user interface andmore » as part of the SAM Simulation Core (SSC) library, and is intended to supplement the user documentation that comes with the software.« less

Analysis on spectra of hydroacoustic field in sonar cavity of the sandwich elastic wall structure

NASA Astrophysics Data System (ADS)

Xuetao, W.; Rui, H.; Weike, W.

2017-09-01

In this paper, the characteristics of the mechanical self - noise in sonar array cavity are studied by using the elastic flatbed - filled rectangular cavity parameterization model. Firstly, the analytic derivation of the vibration differential equation of the single layer, sandwich elastic wall plate structure and internal fluid coupling is carried out, and the modal method is used to solve it. Finally, the spectral characteristics of the acoustic field of rectangular cavity of different elastic wallboard materials are simulated and analyzed, which provides a theoretical reference for the prediction and control of sonar mechanical self-noise. In this paper, the sandwich board as control inside the dome background noise of a potential means were discussed, the dome background noise of qualitative prediction analysis and control has important theoretical significance.

TADS: A CFD-Based Turbomachinery Analysis and Design System with GUI: Methods and Results. 2.0

NASA Technical Reports Server (NTRS)

Koiro, M. J.; Myers, R. A.; Delaney, R. A.

1999-01-01

The primary objective of this study was the development of a Computational Fluid Dynamics (CFD) based turbomachinery airfoil analysis and design system, controlled by a Graphical User Interface (GUI). The computer codes resulting from this effort are referred to as TADS (Turbomachinery Analysis and Design System). This document is the Final Report describing the theoretical basis and analytical results from the TADS system developed under Task 10 of NASA Contract NAS3-27394, ADPAC System Coupling to Blade Analysis & Design System GUI, Phase II-Loss, Design and. Multi-stage Analysis. TADS couples a throughflow solver (ADPAC) with a quasi-3D blade-to-blade solver (RVCQ3D) or a 3-D solver with slip condition on the end walls (B2BADPAC) in an interactive package. Throughflow analysis and design capability was developed in ADPAC through the addition of blade force and blockage terms to the governing equations. A GUI was developed to simplify user input and automate the many tasks required to perform turbomachinery analysis and design. The coupling of the various programs was done in such a way that alternative solvers or grid generators could be easily incorporated into the TADS framework. Results of aerodynamic calculations using the TADS system are presented for a multistage compressor, a multistage turbine, two highly loaded fans, and several single stage compressor and turbine example cases.

Laser-diode-pumped 1319-nm monolithic non-planar ring single-frequency laser

NASA Astrophysics Data System (ADS)

Wang, Qing; Gao, Chunqing; Zhao, Yan; Yang, Suhui; Wei, Guanghui; 2, Dongmei Hong

2003-10-01

Single-frequency 1319-nm laser was obtained by using a laser-diode-pumped monolithic Nd:YAG crystal with a non-planar ring oscillator (NPRO). When the NPRO laser was pumped by an 800-?m fiber coupled laser diode, the output power of the single-frequency 1319-nm laser was 220 mW, and the slope efficiency was 16%. With a 100-1m fiber coupled diode laser pumped, 99-mW single-frequency 1319-nm laser was obtained with a slope efficiency of 29%.

Optical voltage reference

DOEpatents

Rankin, R.; Kotter, D.

1994-04-26

An optical voltage reference for providing an alternative to a battery source is described. The optical reference apparatus provides a temperature stable, high precision, isolated voltage reference through the use of optical isolation techniques to eliminate current and impedance coupling errors. Pulse rate frequency modulation is employed to eliminate errors in the optical transmission link while phase-lock feedback is employed to stabilize the frequency to voltage transfer function. 2 figures.

Dynamics of the Pin Pallet Runaway Escapement

DTIC Science & Technology

1978-06-01

for Continued Work 29 References 32 I Appendixes A Kinematics of Coupled Motion 34 B Differential Equation of Coupled Motion 38 f C Moment Arms 42 D...Expressions for these quantities are derived in appendix D. The differential equations for the free motion of the pallet and the escape-wheel are...Coupled Motion (location 100) To solve the differential equation of coupled motion (see equation .B (-10) of appendix B)- the main program calls on

An inherent curvature-compensated voltage reference using non-linearity of gate coupling coefficient

NASA Astrophysics Data System (ADS)

Hande, Vinayak; Shojaei Baghini, Maryam

2015-08-01

A novel current-mode voltage reference circuit which is capable of generating sub-1 V output voltage is presented. The proposed architecture exhibits the inherent curvature compensation ability. The curvature compensation is achieved by utilizing the non-linear behavior of gate coupling coefficient to compensate non-linear temperature dependence of base-emitter voltage. We have also utilized the developments in CMOS process to reduce power and area consumption. The proposed voltage reference is analyzed theoretically and compared with other existing methods. The circuit is designed and simulated in 180 nm mixed-mode CMOS UMC technology which gives a reference level of 246 mV. The minimum required supply voltage is 1 V with maximum current drawn of 9.24 μA. A temperature coefficient of 9 ppm/°C is achieved over -25 to 125 °C temperature range. The reference voltage varies by ±11 mV across process corners. The reference circuit shows the line sensitivity of 0.9 mV/V with area consumption of 100 × 110 μm2

An accurate method for measuring triploidy of larval fish spawns

USGS Publications Warehouse

Jenkins, Jill A.; Draugelis-Dale, Rassa O.; Glennon, Robert; Kelly, Anita; Brown, Bonnie L.; Morrison, John

2017-01-01

A standard flow cytometric protocol was developed for estimating triploid induction in batches of larval fish. Polyploid induction treatments are not guaranteed to be 100% efficient, thus the ability to quantify the proportion of triploid larvae generated by a particular treatment helps managers to stock high-percentage spawns and researchers to select treatments for efficient triploid induction. At 3 d posthatch, individual Grass Carp Ctenopharyngodon idella were mechanically dissociated into single-cell suspensions; nuclear DNA was stained with propidium iodide then analyzed by flow cytometry. Following ploidy identification of individuals, aliquots of diploid and triploid cell suspensions were mixed to generate 15 levels (0–100%) of known triploidy (n = 10). Using either 20 or 50 larvae per level, the observed triploid percentages were lower than the known, actual values. Using nonlinear regression analyses, quadratic equations solved for triploid proportions in mixed samples and corresponding estimation reference plots allowed for predicting triploidy. Thus, an accurate prediction of the proportion of triploids in a spawn can be made by following a standard larval processing and analysis protocol with either 20 or 50 larvae from a single spawn, coupled with applying the quadratic equations or reference plots to observed flow cytometry results. Due to the universality of triploid DNA content being 1.5 times the diploid level and because triploid fish consist of fewer cells than diploids, this method should be applicable to other produced triploid fish species, and it may be adapted for use with bivalves or other species where batch analysis is appropriate.

Monitoring compliance to therapy during addiction treatments by means of hair analysis for drugs and drug metabolites using capillary zone electrophoresis coupled to time-of-flight mass spectrometry.

PubMed

Gottardo, Rossella; Fanigliulo, Ameriga; Sorio, Daniela; Liotta, Eloisa; Bortolotti, Federica; Tagliaro, Franco

2012-03-10

Capillary electrophoresis coupled to time-of-flight mass spectrometry was used in the present work for the determination of therapeutic and abused drugs and their metabolites in the hair of subjects undergoing addiction treatments, in order to monitor their compliance to therapy. For this purpose a rapid, qualitative drug screening method was adopted based on capillary electrophoresis hyphenated with time-of-flight mass spectrometry, which had earlier been developed and validated for the forensic-toxicological analysis of hair, limitedly to illicit/abused drugs [1]. Sampling of hair was carried out in order to refer to a time window of about two months from the date of sampling (i.e. 2cm ca. from cortex). A single extraction procedure was applied, allowing the determination in the hair matrix of "drugs of abuse" referred to the past abuses, and therapeutic drugs prescribed in the detoxification program as well as their metabolites. Analyte identification was based on accurate mass measurements and comparison of isotope patterns, providing the most likely matching between accurate mass value and elemental formula. Small molecules (<500Da) of forensic and toxicological interest could be identified unambiguously using mass spectrometric conditions tailored to meet a mass accuracy ≤5ppm. In the present study, the proposed approach proved suitable for the rapid broad spectrum screening of hair samples, although needing further confirmation of results by using fragmentation mass spectrometry. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Intercomparison of methods of coupling between convection and large-scale circulation: 2. Comparison over nonuniform surface conditions

DOE PAGES

Daleu, C. L.; Plant, R. S.; Woolnough, S. J.; ...

2016-03-18

As part of an international intercomparison project, the weak temperature gradient (WTG) and damped gravity wave (DGW) methods are used to parameterize large-scale dynamics in a set of cloud-resolving models (CRMs) and single column models (SCMs). The WTG or DGW method is implemented using a configuration that couples a model to a reference state defined with profiles obtained from the same model in radiative-convective equilibrium. We investigated the sensitivity of each model to changes in SST, given a fixed reference state. We performed a systematic comparison of the WTG and DGW methods in different models, and a systematic comparison ofmore » the behavior of those models using the WTG method and the DGW method. The sensitivity to the SST depends on both the large-scale parameterization method and the choice of the cloud model. In general, SCMs display a wider range of behaviors than CRMs. All CRMs using either the WTG or DGW method show an increase of precipitation with SST, while SCMs show sensitivities which are not always monotonic. CRMs using either the WTG or DGW method show a similar relationship between mean precipitation rate and column-relative humidity, while SCMs exhibit a much wider range of behaviors. DGW simulations produce large-scale velocity profiles which are smoother and less top-heavy compared to those produced by the WTG simulations. Lastly, these large-scale parameterization methods provide a useful tool to identify the impact of parameterization differences on model behavior in the presence of two-way feedback between convection and the large-scale circulation.« less

Intercomparison of methods of coupling between convection and large‐scale circulation: 2. Comparison over nonuniform surface conditions

PubMed Central

Plant, R. S.; Woolnough, S. J.; Sessions, S.; Herman, M. J.; Sobel, A.; Wang, S.; Kim, D.; Cheng, A.; Bellon, G.; Peyrille, P.; Ferry, F.; Siebesma, P.; van Ulft, L.

2016-01-01

Abstract As part of an international intercomparison project, the weak temperature gradient (WTG) and damped gravity wave (DGW) methods are used to parameterize large‐scale dynamics in a set of cloud‐resolving models (CRMs) and single column models (SCMs). The WTG or DGW method is implemented using a configuration that couples a model to a reference state defined with profiles obtained from the same model in radiative‐convective equilibrium. We investigated the sensitivity of each model to changes in SST, given a fixed reference state. We performed a systematic comparison of the WTG and DGW methods in different models, and a systematic comparison of the behavior of those models using the WTG method and the DGW method. The sensitivity to the SST depends on both the large‐scale parameterization method and the choice of the cloud model. In general, SCMs display a wider range of behaviors than CRMs. All CRMs using either the WTG or DGW method show an increase of precipitation with SST, while SCMs show sensitivities which are not always monotonic. CRMs using either the WTG or DGW method show a similar relationship between mean precipitation rate and column‐relative humidity, while SCMs exhibit a much wider range of behaviors. DGW simulations produce large‐scale velocity profiles which are smoother and less top‐heavy compared to those produced by the WTG simulations. These large‐scale parameterization methods provide a useful tool to identify the impact of parameterization differences on model behavior in the presence of two‐way feedback between convection and the large‐scale circulation. PMID:27642501

Single-photon driven high-order sideband transitions in an ultrastrongly coupled circuit quantum electrodynamics system

NASA Astrophysics Data System (ADS)

Li, Tiefu; Chen, Zhen; Wang, Yimin; Tian, Lin; Qiu, Yueyin; Inomata, Kunihiro; Yoshihara, Fumiki; Han, Siyuan; Nori, Franco; Tsai, Jaw-Shen; You, J. Q.

We report the experimental observation of high-order sideband transitions at the single-photon level in a quantum circuit system of a flux qubit ultrastrongly coupled to a coplanar waveguide resonator. With the coupling strength reaching 10 % of the resonator's fundamental frequency, we obtain clear signatures of higher-order red- and first-order blue-sideband transitions. These transitions are owing to the ultrastrong Rabi coupling, instead of the driving power. Our observation advances the understanding of ultrastrongly-coupled systems and paves the way to study high-order processes in the quantum Rabi model. This work is supported by the National Basic Research Program of China and the National Natural Science Foundation of China.

Inductively coupled plasma mass spectrometry for stable isotope metabolic tracer studies of living systems

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

Luong, Elise

1999-05-10

This dissertation focuses on the development of methods for stable isotope metabolic tracer studies in living systems using inductively coupled plasma single and dual quadrupole mass spectrometers. Sub-nanogram per gram levels of molybdenum (Mo) from human blood plasma are isolated by the use of anion exchange alumina microcolumns. Million-fold more concentrated spectral and matrix interferences such as sodium, chloride, sulfate, phosphate, etc. in the blood constituents are removed from the analyte. The recovery of Mo from the alumina column is 82 ± 5% (n = 5). Isotope dilution inductively coupled plasma mass spectrometry (ID-ICP-MS) is utilized for the quantitative ultra-tracemore » concentration determination of Mo in bovine and human blood samples. The average Mo concentration in reference bovine serum determined by this method is 10.2 ± 0.4 ng/g, while the certified value is 11.5 ± 1.1 ng/g (95% confidence interval). The Mo concentration of one pool of human blood plasma from two healthy male donors is 0.5 ± 0.1 ng/g. The inductively coupled plasma twin quadrupole mass spectrometer (ICP-TQMS) is used to measure the carbon isotope ratio from non-volatile organic compounds and bio-organic molecules to assess the ability as an alternative analytical method to gas chromatography combustion isotope ratio mass spectrometry (GC-combustion-IRMS). Trytophan, myoglobin, and β-cyclodextrin are chosen for the study, initial observation of spectral interference of 13C + with 12C 1H + comes from the incomplete dissociation of myoglobin and/or β-cyclodextrin.« less

Precise single-qubit control of the reflection phase of a photon mediated by a strongly-coupled ancilla–cavity system

NASA Astrophysics Data System (ADS)

Motzoi, F.; Mølmer, K.

2018-05-01

We propose to use the interaction between a single qubit atom and a surrounding ensemble of three level atoms to control the phase of light reflected by an optical cavity. Our scheme employs an ensemble dark resonance that is perturbed by the qubit atom to yield a single-atom single photon gate. We show here that off-resonant excitation towards Rydberg states with strong dipolar interactions offers experimentally-viable regimes of operations with low errors (in the 10‑3 range) as required for fault-tolerant optical-photon, gate-based quantum computation. We also propose and analyze an implementation within microwave circuit-QED, where a strongly-coupled ancilla superconducting qubit can be used in the place of the atomic ensemble to provide high-fidelity coupling to microwave photons.

Generation and transfer of single photons on a photonic crystal chip.

PubMed

Englund, Dirk; Faraon, Andrei; Zhang, Bingyang; Yamamoto, Yoshihisa; Vucković, Jelena

2007-04-30

We present a basic building block of a quantum network consisting of a quantum dot coupled to a source cavity, which in turn is coupled to a target cavity via a waveguide. The single photon emission from the high-Q/V source cavity is characterized by twelve-fold spontaneous emission (SE) rate enhancement, SE coupling efficiency beta ~ 0.98 into the source cavity mode, and mean wavepacket indistinguishability of ~67%. Single photons are efficiently transferred into the target cavity via the waveguide, with a target/source field intensity ratio of 0.12 +/- 0.01. This system shows great promise as a building block of future on-chip quantum information processing systems.

Single-Case Designs and Qualitative Methods: Applying a Mixed Methods Research Perspective

ERIC Educational Resources Information Center

Hitchcock, John H.; Nastasi, Bonnie K.; Summerville, Meredith

2010-01-01

The purpose of this conceptual paper is to describe a design that mixes single-case (sometimes referred to as single-subject) and qualitative methods, hereafter referred to as a single-case mixed methods design (SCD-MM). Minimal attention has been given to the topic of applying qualitative methods to SCD work in the literature. These two…

Coupling strength assumption in statistical energy analysis

PubMed Central

Lafont, T.; Totaro, N.

2017-01-01

This paper is a discussion of the hypothesis of weak coupling in statistical energy analysis (SEA). The examples of coupled oscillators and statistical ensembles of coupled plates excited by broadband random forces are discussed. In each case, a reference calculation is compared with the SEA calculation. First, it is shown that the main SEA relation, the coupling power proportionality, is always valid for two oscillators irrespective of the coupling strength. But the case of three subsystems, consisting of oscillators or ensembles of plates, indicates that the coupling power proportionality fails when the coupling is strong. Strong coupling leads to non-zero indirect coupling loss factors and, sometimes, even to a reversal of the energy flow direction from low to high vibrational temperature. PMID:28484335

Two-qubit gates and coupling with low-impedance flux qubits

NASA Astrophysics Data System (ADS)

Chow, Jerry; Corcoles, Antonio; Rigetti, Chad; Rozen, Jim; Keefe, George; Rothwell, Mary-Beth; Rohrs, John; Borstelmann, Mark; Divincenzo, David; Ketchen, Mark; Steffen, Matthias

2011-03-01

We experimentally demonstrate the coupling of two low-impedance flux qubits mediated via a transmission line resonator. We explore the viability of experimental coupling protocols which involve selective microwave driving on the qubits independently as well as fast frequency tuning through on-chip flux-bias. Pulse-shaping techniques for single-qubit and two-qubit gates are employed for reducing unwanted leakage and phase errors. A joint readout through the transmission line resonator is used for characterizing single-qubit and two-qubit states.

Optical bistability in a single-sided cavity coupled to a quantum channel

NASA Astrophysics Data System (ADS)

Payravi, M.; Solookinejad, Gh; Jabbari, M.; Nafar, M.; Ahmadi Sangachin, E.

2018-06-01

In this paper, we discuss the long wavelength optical reflection and bistable behavior of an InGaN/GaN quantum dot nanostructure coupled to a single-sided cavity. It is found that due to the presence of a strong coupling field, the reflection coefficient can be controlled at long wavelength, which is essential for adjusting the threshold of reflected optical bistability. Moreover, the phase shift features of the reflection pulse inside an electromagnetically induced transparency window are also discussed.

Ground state transitions in vertically coupled N-layer single electron quantum dots

NASA Astrophysics Data System (ADS)

Xie, Wenfang; Wang, Anmei

2003-12-01

A method is proposed to exactly diagonalize the Hamiltonian of a N-layer quantum dot containing a single electron in each dot in arbitrary magnetic fields. For N=4, the energy spectra of the dot are calculated as a function of the applied magnetic field. We find discontinuous ground-state energy transitions induced by an external magnetic field in the case of strong coupling. However, in the case of weak coupling, such a transition does not occur and the angular momentum remains zero.

Experimental demonstration of single-mode fiber coupling over relatively strong turbulence with adaptive optics.

PubMed

Chen, Mo; Liu, Chao; Xian, Hao

2015-10-10

High-speed free-space optical communication systems using fiber-optic components can greatly improve the stability of the system and simplify the structure. However, propagation through atmospheric turbulence degrades the spatial coherence of the signal beam and limits the single-mode fiber (SMF) coupling efficiency. In this paper, we analyze the influence of the atmospheric turbulence on the SMF coupling efficiency over various turbulences. The results show that the SMF coupling efficiency drops from 81% without phase distortion to 10% when phase root mean square value equals 0.3λ. The simulations of SMF coupling with adaptive optics (AO) indicate that it is inevitable to compensate the high-order aberrations for SMF coupling over relatively strong turbulence. The SMF coupling efficiency experiments, using an AO system with a 137-element deformable mirror and a Hartmann-Shack wavefront sensor, obtain average coupling efficiency increasing from 1.3% in open loop to 46.1% in closed loop under a relatively strong turbulence, D/r₀=15.1.

Design of 20 W fiber-coupled green laser diode by Zemax

NASA Astrophysics Data System (ADS)

Qi, Yunfei; Zhao, Pengfei; Wu, Yulong; Chen, Yongqi; Zou, Yonggang

2017-09-01

We represent a design of a 20 W, fiber-coupled diode laser module based on 26 single emitters at 520 nm. The module can produce more than 20 W output power from a standard fiber with core diameter of 400 μm and numerical aperture (NA) of 0.22. To achieve a 20 W laser beam, the spatial beam combination and polarization beam combination by polarization beam splitter are used to combine output of 26 single emitters into a single beam, and then an aspheric lens is used to couple the combined beam into an optical fiber. The simulation shows that the total coupling efficiency is more than 95%. Project supported by the National Key R& D Program of China (No. 2016YFB0402105), the Key Deployment Program of the Chinese Academy of Sciences (No. KGZD-SW-T01-2), and the National Natural Science Foundation of China (No. 61404135).

Quantum Stirling heat engine and refrigerator with single and coupled spin systems

NASA Astrophysics Data System (ADS)

Huang, Xiao-Li; Niu, Xin-Ya; Xiu, Xiao-Ming; Yi, Xue-Xi

2014-02-01

We study the reversible quantum Stirling cycle with a single spin or two coupled spins as the working substance. With the single spin as the working substance, we find that under certain conditions the reversed cycle of a heat engine is NOT a refrigerator, this feature holds true for a Stirling heat engine with an ion trapped in a shallow potential as its working substance. The efficiency of quantum Stirling heat engine can be higher than the efficiency of the Carnot engine, but the performance coefficient of the quantum Stirling refrigerator is always lower than its classical counterpart. With two coupled spins as the working substance, we find that a heat engine can turn to a refrigerator due to the increasing of the coupling constant, this can be explained by the properties of the isothermal line in the magnetic field-entropy plane.

Crosstalk error correction through dynamical decoupling of single-qubit gates in capacitively coupled singlet-triplet semiconductor spin qubits

NASA Astrophysics Data System (ADS)

Buterakos, Donovan; Throckmorton, Robert E.; Das Sarma, S.

2018-01-01

In addition to magnetic field and electric charge noise adversely affecting spin-qubit operations, performing single-qubit gates on one of multiple coupled singlet-triplet qubits presents a new challenge: crosstalk, which is inevitable (and must be minimized) in any multiqubit quantum computing architecture. We develop a set of dynamically corrected pulse sequences that are designed to cancel the effects of both types of noise (i.e., field and charge) as well as crosstalk to leading order, and provide parameters for these corrected sequences for all 24 of the single-qubit Clifford gates. We then provide an estimate of the error as a function of the noise and capacitive coupling to compare the fidelity of our corrected gates to their uncorrected versions. Dynamical error correction protocols presented in this work are important for the next generation of singlet-triplet qubit devices where coupling among many qubits will become relevant.

Effect of endogenous reference genes on digital PCR assessment of genetically engineered canola events.

PubMed

Demeke, Tigst; Eng, Monika

2018-05-01

Droplet digital PCR (ddPCR) has been used for absolute quantification of genetically engineered (GE) events. Absolute quantification of GE events by duplex ddPCR requires the use of appropriate primers and probes for target and reference gene sequences in order to accurately determine the amount of GE materials. Single copy reference genes are generally preferred for absolute quantification of GE events by ddPCR. Study has not been conducted on a comparison of reference genes for absolute quantification of GE canola events by ddPCR. The suitability of four endogenous reference sequences ( HMG-I/Y , FatA(A), CruA and Ccf) for absolute quantification of GE canola events by ddPCR was investigated. The effect of DNA extraction methods and DNA quality on the assessment of reference gene copy numbers was also investigated. ddPCR results were affected by the use of single vs. two copy reference genes. The single copy, FatA(A), reference gene was found to be stable and suitable for absolute quantification of GE canola events by ddPCR. For the copy numbers measured, the HMG-I/Y reference gene was less consistent than FatA(A) reference gene. The expected ddPCR values were underestimated when CruA and Ccf (two copy endogenous Cruciferin sequences) were used because of high number of copies. It is important to make an adjustment if two copy reference genes are used for ddPCR in order to obtain accurate results. On the other hand, real-time quantitative PCR results were not affected by the use of single vs. two copy reference genes.

Efficient coupling of starlight into single mode photonics using Adaptive Injection (AI)

NASA Astrophysics Data System (ADS)

Norris, Barnaby; Cvetojevic, Nick; Gross, Simon; Arriola, Alexander; Tuthill, Peter; Lawrence, Jon; Richards, Samuel; Goodwin, Michael; Zheng, Jessica

2016-08-01

Using single-mode fibres in astronomy enables revolutionary techniques including single-mode interferometry and spectroscopy. However, injection of seeing-limited starlight into single mode photonics is extremely difficult. One solution is Adaptive Injection (AI). The telescope pupil is segmented into a number of smaller subapertures each with size r0, such that seeing can be approximated as a single tip / tilt / piston term for each subaperture, and then injected into a separate fibre via a facet of a segmented MEMS deformable mirror. The injection problem is then reduced to a set of individual tip tilt loops, resulting in high overall coupling efficiency.

Three-terminal graphene single-electron transistor fabricated using feedback-controlled electroburning

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

Puczkarski, Paweł; Gehring, Pascal, E-mail: pascal.gehring@materials.ox.ac.uk; Lau, Chit S.

2015-09-28

We report room-temperature Coulomb blockade in a single layer graphene three-terminal single-electron transistor fabricated using feedback-controlled electroburning. The small separation between the side gate electrode and the graphene quantum dot results in a gate coupling up to 3 times larger compared to the value found for the back gate electrode. This allows for an effective tuning between the conductive and Coulomb blocked state using a small side gate voltage of about 1 V. The technique can potentially be used in the future to fabricate all-graphene based room temperature single-electron transistors or three terminal single molecule transistors with enhanced gate coupling.

Coupling of geochemical and multiphase flow processes for validation of the MUFITS reservoir simulator against TOUGHREACT

NASA Astrophysics Data System (ADS)

De Lucia, Marco; Kempka, Thomas; Afanasyev, Andrey; Melnik, Oleg; Kühn, Michael

2016-04-01

Coupled reactive transport simulations, especially in heterogeneous settings considering multiphase flow, are extremely time consuming and suffer from significant numerical issues compared to purely hydrodynamic simulations. This represents a major hurdle in the assessment of geological subsurface utilization, since it constrains the practical application of reactive transport modelling to coarse spatial discretization or oversimplified geological settings. In order to overcome such limitations, De Lucia et al. [1] developed and validated a one-way coupling approach between geochemistry and hydrodynamics, which is particularly well suited for CO2 storage simulations, while being of general validity. In the present study, the models used for the validation of the one-way coupling approach introduced by De Lucia et al. (2015), and originally performed with the TOUGHREACT simulator, are transferred to and benchmarked against the multiphase reservoir simulator MUFITS [2]. The geological model is loosely inspired by an existing CO2 storage site. Its grid comprises 2,950 elements enclosed in a single layer, but reflecting a realistic three-dimensional anticline geometry. For the purpose of this comparison, homogeneous and heterogeneous scenarios in terms of porosity and permeability were investigated. In both cases, the results of the MUFITS simulator are in excellent agreement with those produced with the fully-coupled TOUGHREACT simulator, while profiting from significantly higher computational performance. This study demonstrates how a computationally efficient simulator such as MUFITS can be successfully included in a coupled process simulation framework, and also suggests ameliorations and specific strategies for the coupling of chemical processes with hydrodynamics and heat transport, aiming at tackling geoscientific problems beyond the storage of CO2. References [1] De Lucia, M., Kempka, T., and Kühn, M. A coupling alternative to reactive transport simulations for long-term prediction of chemical reactions in heterogeneous CO2 storage systems, Geosci. Model Dev., 8, 279-294, 2015, doi:10.5194/gmd-8-279-2015 [2] Afanasyev, A.A. Application of the reservoir simulator MUFITS for 3D modeling of CO2 storage in geological formations, Energy Procedia, 40, 365-374, 2013, doi:10.1016/j.egypro.2013.08.042

Unified model for the electromechanical coupling factor of orthorhombic piezoelectric rectangular bar with arbitrary aspect ratio

NASA Astrophysics Data System (ADS)

Rouffaud, R.; Levassort, F.; Hladky-Hennion, A.-C.

2017-02-01

Piezoelectric Single Crystals (PSC) are increasingly used in the manufacture of ultrasonic transducers and in particular for linear arrays or single element transducers. Among these PSCs, according to their microstructure and poled direction, some exhibit a mm2 symmetry. The analytical expression of the electromechanical coupling coefficient for a vibration mode along the poling direction for piezoelectric rectangular bar resonator is established. It is based on the mode coupling theory and fundamental energy ratio definition of electromechanical coupling coefficients. This unified formula for mm2 symmetry class material is obtained as a function of an aspect ratio (G) where the two extreme cases correspond to a thin plate (with a vibration mode characterized by the thickness coupling factor, kt) and a thin bar (characterized by k33'). To optimize the k33' value related to the thin bar design, a rotation of the crystallogaphic axis in the plane orthogonal to the poling direction is done to choose the highest value for PIN-PMN-PT single crystal. Finally, finite element calculations are performed to deduce resonance frequencies and coupling coefficients in a large range of G value to confirm developed analytical relations.

Development of a reference material of a single DNA molecule for the quality control of PCR testing.

PubMed

Mano, Junichi; Hatano, Shuko; Futo, Satoshi; Yoshii, Junji; Nakae, Hiroki; Naito, Shigehiro; Takabatake, Reona; Kitta, Kazumi

2014-09-02

We developed a reference material of a single DNA molecule with a specific nucleotide sequence. The double-strand linear DNA which has PCR target sequences at the both ends was prepared as a reference DNA molecule, and we named the PCR targets on each side as confirmation sequence and standard sequence. The highly diluted solution of the reference molecule was dispensed into 96 wells of a plastic PCR plate to make the average number of molecules in a well below one. Subsequently, the presence or absence of the reference molecule in each well was checked by real-time PCR targeting for the confirmation sequence. After an enzymatic treatment of the reaction mixture in the positive wells for the digestion of PCR products, the resultant solution was used as the reference material of a single DNA molecule with the standard sequence. PCR analyses revealed that the prepared samples included only one reference molecule with high probability. The single-molecule reference material developed in this study will be useful for the absolute evaluation of a detection limit of PCR-based testing methods, the quality control of PCR analyses, performance evaluations of PCR reagents and instruments, and the preparation of an accurate calibration curve for real-time PCR quantitation.

A new strategy for in vivo spectral editing. Application to GABA editing using selective homonuclear polarization transfer spectroscopy

NASA Astrophysics Data System (ADS)

Shen, Jun; Yang, Jehoon; Choi, In-Young; Li, Shizhe Steve; Chen, Zhengguang

2004-10-01

A novel single-shot in vivo spectral editing method is proposed in which the signal to be detected, is regenerated anew from the thermal equilibrium magnetization of a source to which it is J-coupled. The thermal equilibrium magnetization of the signal to be detected together with those of overlapping signals are suppressed by single-shot gradient dephasing prior to the signal regeneration process. Application of this new strategy to in vivo GABA editing using selective homonuclear polarization transfer allows complete suppression of overlapping creatine and glutathione while detecting the GABA-4 methylene resonance at 3.02 ppm with an editing yield similar to that of conventional editing methods. The NAA methyl group at 2.02 ppm was simultaneously detected and can be used as an internal navigator echo for correcting the zero order phase and frequency shifts and as an internal reference for concentration. This new method has been demonstrated for robust in vivo GABA editing in the rat brain and for study of GABA synthesis after acute vigabatrin administration.

Outdoor measurements of a photovoltaic system using diffractive spectrum-splitting and concentration

DOE PAGES

Mohammad, N.; Schulz, M.; Wang, P.; ...

2016-09-16

In a single-bandgap absorber, photons having energy less than the bandgap are not absorbed, while those having energy larger than the bandgap lose the excess energy via thermalization. We present outdoor measurements of a photovoltaic system that overcomes these losses via spectrum splitting and concentration using a planar diffractive optic. The system was comprised of the diffractive optic coupled with GaInP and CIGS solar cells. The optic provides a geometric concentration of 3X for each solar cell. It is easily fabricated by single-step grayscale lithography and it is ultra-thin with a maximum thickness of only 2.5μm. Electrical measurements under directmore » sunlight demonstrated an increase of ~25% in total output power compared to the reference case without spectrum splitting and concentration. Since different bandgaps are in the same plane, the proposed photovoltaic system successfully circumvents the lattice-matching and current-matching issues in conventional tandem multi-junction solar cells. As a result, this system is also tolerant to solar spectrum variation and fill-factor degradation of constitutive solar cells.« less

Outdoor measurements of a photovoltaic system using diffractive spectrum-splitting and concentration

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

Mohammad, N.; Schulz, M.; Wang, P.

In a single-bandgap absorber, photons having energy less than the bandgap are not absorbed, while those having energy larger than the bandgap lose the excess energy via thermalization. We present outdoor measurements of a photovoltaic system that overcomes these losses via spectrum splitting and concentration using a planar diffractive optic. The system was comprised of the diffractive optic coupled with GaInP and CIGS solar cells. The optic provides a geometric concentration of 3X for each solar cell. It is easily fabricated by single-step grayscale lithography and it is ultra-thin with a maximum thickness of only 2.5μm. Electrical measurements under directmore » sunlight demonstrated an increase of ~25% in total output power compared to the reference case without spectrum splitting and concentration. Since different bandgaps are in the same plane, the proposed photovoltaic system successfully circumvents the lattice-matching and current-matching issues in conventional tandem multi-junction solar cells. As a result, this system is also tolerant to solar spectrum variation and fill-factor degradation of constitutive solar cells.« less

Performance evaluation of rotating pump jet mixing of radioactive wastes in Hanford Tanks 241-AP-102 and -104

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

Onishi, Y.; Recknagle, K.P.

The purpose of this study was to confirm the adequacy of a single mixer pump to fully mix the wastes that will be stored in Tanks 241-AP-102 and -104. These Hanford double-shell tanks (DSTs) will be used as staging tanks to receive low-activity wastes from other Hanford storage tanks and, in turn, will supply the wastes to private waste vitrification facilities for eventual solidification. The TEMPEST computer code was applied to Tanks AP-102 and -104 to simulate waste mixing generated by the 60-ft/s rotating jets and to determine the effectiveness of the single rotating pump to mix the waste. TEMPESTmore » simulates flow and mass/heat transport and chemical reactions (equilibrium and kinetic reactions) coupled together. Section 2 describes the pump jet mixing conditions the authors evaluated, the modeling cases, and their parameters. Section 3 reports model applications and assessment results. The summary and conclusions are presented in Section 4, and cited references are listed in Section 5.« less

A Financial Market Model Incorporating Herd Behaviour

PubMed Central

2016-01-01

Herd behaviour in financial markets is a recurring phenomenon that exacerbates asset price volatility, and is considered a possible contributor to market fragility. While numerous studies investigate herd behaviour in financial markets, it is often considered without reference to the pricing of financial instruments or other market dynamics. Here, a trader interaction model based upon informational cascades in the presence of information thresholds is used to construct a new model of asset price returns that allows for both quiescent and herd-like regimes. Agent interaction is modelled using a stochastic pulse-coupled network, parametrised by information thresholds and a network coupling probability. Agents may possess either one or two information thresholds that, in each case, determine the number of distinct states an agent may occupy before trading takes place. In the case where agents possess two thresholds (labelled as the finite state-space model, corresponding to agents’ accumulating information over a bounded state-space), and where coupling strength is maximal, an asymptotic expression for the cascade-size probability is derived and shown to follow a power law when a critical value of network coupling probability is attained. For a range of model parameters, a mixture of negative binomial distributions is used to approximate the cascade-size distribution. This approximation is subsequently used to express the volatility of model price returns in terms of the model parameter which controls the network coupling probability. In the case where agents possess a single pulse-coupling threshold (labelled as the semi-infinite state-space model corresponding to agents’ accumulating information over an unbounded state-space), numerical evidence is presented that demonstrates volatility clustering and long-memory patterns in the volatility of asset returns. Finally, output from the model is compared to both the distribution of historical stock returns and the market price of an equity index option. PMID:27007236

The non-planar single-frequency ring laser with variable output coupling

NASA Astrophysics Data System (ADS)

Wu, Ke-ying; Yang, Su-hui; Wei, Guang-hui

2002-03-01

We put forward a novel non-planar single-frequency ring laser, which consists of a corner cube prism and a specially cut Porro prism made by Nd:YAG crystal. The relative angle between the corner cube and the Porro prism could be adjusted to control the output coupling of the laser resonator and the polarization-state of the output laser. A 1.06 μm single-frequency laser with 1 W output has been obtained.

Fast Purcell-enhanced single photon source in 1,550-nm telecom band from a resonant quantum dot-cavity coupling

PubMed Central

Birowosuto, Muhammad Danang; Sumikura, Hisashi; Matsuo, Shinji; Taniyama, Hideaki; van Veldhoven, Peter J.; Nötzel, Richard; Notomi, Masaya

2012-01-01

High-bit-rate nanocavity-based single photon sources in the 1,550-nm telecom band are challenges facing the development of fibre-based long-haul quantum communication networks. Here we report a very fast single photon source in the 1,550-nm telecom band, which is achieved by a large Purcell enhancement that results from the coupling of a single InAs quantum dot and an InP photonic crystal nanocavity. At a resonance, the spontaneous emission rate was enhanced by a factor of 5 resulting a record fast emission lifetime of 0.2 ns at 1,550 nm. We also demonstrate that this emission exhibits an enhanced anti-bunching dip. This is the first realization of nanocavity-enhanced single photon emitters in the 1,550-nm telecom band. This coupled quantum dot cavity system in the telecom band thus provides a bright high-bit-rate non-classical single photon source that offers appealing novel opportunities for the development of a long-haul quantum telecommunication system via optical fibres. PMID:22432053

Fast Purcell-enhanced single photon source in 1,550-nm telecom band from a resonant quantum dot-cavity coupling.

PubMed

Birowosuto, Muhammad Danang; Sumikura, Hisashi; Matsuo, Shinji; Taniyama, Hideaki; van Veldhoven, Peter J; Nötzel, Richard; Notomi, Masaya

2012-01-01

High-bit-rate nanocavity-based single photon sources in the 1,550-nm telecom band are challenges facing the development of fibre-based long-haul quantum communication networks. Here we report a very fast single photon source in the 1,550-nm telecom band, which is achieved by a large Purcell enhancement that results from the coupling of a single InAs quantum dot and an InP photonic crystal nanocavity. At a resonance, the spontaneous emission rate was enhanced by a factor of 5 resulting a record fast emission lifetime of 0.2 ns at 1,550 nm. We also demonstrate that this emission exhibits an enhanced anti-bunching dip. This is the first realization of nanocavity-enhanced single photon emitters in the 1,550-nm telecom band. This coupled quantum dot cavity system in the telecom band thus provides a bright high-bit-rate non-classical single photon source that offers appealing novel opportunities for the development of a long-haul quantum telecommunication system via optical fibres.

The effect of a multifaceted empowerment strategy on decision making about the number of embryos transferred in in vitro fertilisation: randomised controlled trial.

PubMed

van Peperstraten, Arno; Nelen, Willianne; Grol, Richard; Zielhuis, Gerhard; Adang, Eddy; Stalmeier, Peep; Hermens, Rosella; Kremer, Jan

2010-09-30

To evaluate the effects of a multifaceted empowerment strategy on the actual use of single embryo transfer after in vitro fertilisation. Randomised controlled trial. Five in vitro fertilisation clinics in the Netherlands. 308 couples (women aged <40) on the waiting list for a first in vitro fertilisation cycle. The multifaceted strategy aimed to empower couples in deciding how many embryos should be transferred. The strategy consisted of a decision aid, support of a nurse specialising in in vitro fertilisation, and the offer of reimbursement by way of an extra treatment cycle. The control group received standard care for in vitro fertilisation. Use of single embryo transfer in the first and second treatment cycles as well as decision making variables and costs of the empowerment strategy. After the first treatment cycle, single embryo transfer was used by 43% (65/152) of couples in the intervention group and 32% (50/156) in the control group (difference 11%, 95% confidence interval 0% to 22%; P=0.05). After the second treatment cycle, single embryo transfer was used by 26% (14/154) of couples in the intervention group compared with 16% (8/51) in the control group (difference 10%, -6% to 26%; P=0.20). Compared with couples receiving standard care, those receiving the empowerment strategy had significantly higher empowerment and knowledge levels but no differences in anxiety levels. Mean total savings per couple in the intervention group were calculated to be €169.75 (£146.77; $219.12). A multifaceted empowerment strategy encouraged use of single embryo transfer, increased patients' knowledge, reduced costs, and had no effect on levels of anxiety or depression. This strategy could therefore be an important tool to reduce the twin pregnancy rate after in vitro fertilisation. This trial did not, however, demonstrate the anticipated 25% difference in use of single embryo transfer of the power calculation. ClinicalTrials.gov NCT00315029.

Effect of resource constraints on intersimilar coupled networks.

PubMed

Shai, S; Dobson, S

2012-12-01

Most real-world networks do not live in isolation but are often coupled together within a larger system. Recent studies have shown that intersimilarity between coupled networks increases the connectivity of the overall system. However, unlike connected nodes in a single network, coupled nodes often share resources, like time, energy, and memory, which can impede flow processes through contention when intersimilarly coupled. We study a model of a constrained susceptible-infected-recovered (SIR) process on a system consisting of two random networks sharing the same set of nodes, where nodes are limited to interact with (and therefore infect) a maximum number of neighbors at each epidemic time step. We obtain that, in agreement with previous studies, when no limit exists (regular SIR model), positively correlated (intersimilar) coupling results in a lower epidemic threshold than negatively correlated (interdissimilar) coupling. However, in the case of the constrained SIR model, the obtained epidemic threshold is lower with negatively correlated coupling. The latter finding differentiates our work from previous studies and provides another step towards revealing the qualitative differences between single and coupled networks.

Effect of resource constraints on intersimilar coupled networks

NASA Astrophysics Data System (ADS)

Shai, S.; Dobson, S.

2012-12-01

Most real-world networks do not live in isolation but are often coupled together within a larger system. Recent studies have shown that intersimilarity between coupled networks increases the connectivity of the overall system. However, unlike connected nodes in a single network, coupled nodes often share resources, like time, energy, and memory, which can impede flow processes through contention when intersimilarly coupled. We study a model of a constrained susceptible-infected-recovered (SIR) process on a system consisting of two random networks sharing the same set of nodes, where nodes are limited to interact with (and therefore infect) a maximum number of neighbors at each epidemic time step. We obtain that, in agreement with previous studies, when no limit exists (regular SIR model), positively correlated (intersimilar) coupling results in a lower epidemic threshold than negatively correlated (interdissimilar) coupling. However, in the case of the constrained SIR model, the obtained epidemic threshold is lower with negatively correlated coupling. The latter finding differentiates our work from previous studies and provides another step towards revealing the qualitative differences between single and coupled networks.

HLA and fertility

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

Ober, C.

The recent paper by Jin et al., reporting that class 11 region major histocompatibility complex genes may influence embryonic loss in outbred couples supports previous results of our studies of HLA and fertility in the Hutterites. However, the authors have incorrectly cited our work and have omitted the reference that is most relevant to their results. The paper by Kostyu et al. is incorrectly referred to in the introduction as providing evidence for HLA sharing being associated with recurrent spontaneous abortion. The Kostyu et al. paper does not include any data on fertility or reproduction but reports frequencies of individualsmore » who are homozygous at the HLA-A, -C, -B, -DR, and -DQ loci in the Hutterite population. In fact, recurrent spontaneous abortion has not been observed in any of the couples in our sample of >500 Hutterite couples. References more appropriate to the association between HLA sharing and recurrent miscarriage are those by Komlos et al., Schacter et al., Gerencer and Kastelan, and Beer et al. It might also be worth pointing out that many studies of recurrent miscarriage in outbred couples have not found an association with HLA sharing; examples include the studies of Ergolu et al., Oksenberg et al., and Christiansen et al., among others. 11 refs.« less

Fluorescence enhancement and strong-coupling in faceted plasmonic nanocavities

NASA Astrophysics Data System (ADS)

Kongsuwan, Nuttawut; Demetriadou, Angela; Chikkaraddy, Rohit; Baumberg, Jeremy J.; Hess, Ortwin

2018-06-01

Emission properties of a quantum emitter can be significantly modified inside nanometre-sized gaps between two plasmonic nanostructures. This forms a nanoscopic optical cavity which allows single-molecule detection and single-molecule strong-coupling at room temperature. However, plasmonic resonances of a plasmonic nanocavity are highly sensitive to the exact gap morphology. In this article, we shed light on the effect of gap morphology on the plasmonic resonances of a faceted nanoparticle-on-mirror (NPoM) nanocavity and their interaction with quantum emitters. We find that with increasing facet width the NPoM nanocavity provides weaker field enhancement and thus less coupling strength to a single quantum emitter since the effective mode volume increases with the facet width. However, if multiple emitters are present, a faceted NPoM nanocavity is capable of accommodating a larger number of emitters, and hence the overall coupling strength is larger due to the collective and coherent energy exchange from all the emitters. Our findings pave the way to more efficient designs of nanocavities for room-temperature light-matter strong-coupling, thus providing a big step forward to a non-cryogenic platform for quantum technologies.

Silicon-based highly-efficient fiber-to-waveguide coupler for high index contrast systems

NASA Astrophysics Data System (ADS)

Nguyen, Victor; Montalbo, Trisha; Manolatou, Christina; Agarwal, Anu; Hong, Ching-yin; Yasaitis, John; Kimerling, L. C.; Michel, Jurgen

2006-02-01

A coupler to efficiently transfer broadband light from a single-mode optical fiber to a single-mode high-index contrast waveguide has been fabricated on a silicon substrate. We utilized a novel coupling scheme, with a vertically asymmetric design consisting of a stepwise parabolic graded index profile combined with a horizontal taper, to simultaneously confine light in both directions. Coupling efficiency has been measured as a function of the device dimensions. The optimal coupling efficiency is achieved for structures whose length equals the focal distance of the graded index and whose input width is close to the mode field diameter of the fiber. The fabricated structure is compact, robust and highly efficient, with an insertion loss of 2.2dB at 1550nm. The coupler exhibits less than 1dB variation in coupling efficiency in the measured spectral range from 1520nmto1620nm. The lowest insertion loss of 1.9dB is measured at 1540nm. The coupler design offers highly efficient coupling for single mode waveguides of core indices up to 2.2.

Assessment of bilayer silicene to probe as quantum spin and valley Hall effect

NASA Astrophysics Data System (ADS)

Rehman, Majeed Ur; Qiao, Zhenhua

2018-02-01

Silicene takes precedence over graphene due to its buckling type structure and strong spin orbit coupling. Motivated by these properties, we study the silicene bilayer in the presence of applied perpendicular electric field and intrinsic spin orbit coupling to probe as quantum spin/valley Hall effect. Using analytical approach, we calculate the spin Chern-number of bilayer silicene and then compare it with monolayer silicene. We reveal that bilayer silicene hosts double spin Chern-number as compared to single layer silicene and therefore accordingly has twice as many edge states in contrast to single layer silicene. In addition, we investigate the combined effect of intrinsic spin orbit coupling and the external electric field, we find that bilayer silicene, likewise single layer silicene, goes through a phase transitions from a quantum spin Hall state to a quantum valley Hall state when the strength of the applied electric field exceeds the intrinsic spin orbit coupling strength. We believe that the results and outcomes obtained for bilayer silicene are experimentally more accessible as compared to bilayer graphene, because of strong SO coupling in bilayer silicene.

Mate-choice copying in single and coupled women: the influence of mate acceptance and mate rejection decisions of other women.

PubMed

Deng, Yan; Zheng, Yong

2015-01-26

Studies of humans and non-human animals indicate that females tend to change the likelihood of choosing a potential mate based on the decisions of other females; this is known as mate-choice copying. In a sample of both single and coupled women, we examined the influence of other women's (model) mate-choice decisions, including mate acceptance and mate rejection, on participants' attractiveness ratings of men (target) and willingness of mate selection. We also examined whether different types of relationships between the target men and the model women affected mate-choice copying. We found that both the single and coupled women showed mate-choice copying, but their response patterns differed. The significant effects for single women were dependent on a decrease in attractiveness ratings when they perceived the models' mate rejection. However, the significant findings for coupled women relied on an increase in attractiveness ratings when they observed the models' mate acceptance. Furthermore, the relationship status between the target men and the model women affected the magnitude of mate-choice copying effects for the single women. Specifically, they showed less mate-choice copying when the targets and models were in a committed romantic relationship than when in a temporary relationship.

Mode selection and tuning of single-frequency short-cavity VECSELs

DOE PAGES

Serkland, Darwin K.; So, Haley M.; Peake, Gregory M.; ...

2018-03-05

Here, we report on mode selection and tuning properties of vertical-external-cavity surface-emitting lasers (VECSELs) containing coupled semiconductor and external cavities of total length less than 1 mm. Our goal is to create narrowlinewidth (<1MHz) single-frequency VECSELs that operate near 850 nm on a single longitudinal cavity resonance and tune versus temperature without mode hops. We have designed, fabricated, and measured VECSELs with external-cavity lengths ranging from 25 to 800 μm. Lastly, we compare simulated and measured coupled-cavity mode frequencies and discuss criteria for single mode selection.

Education and Asset Composition.

ERIC Educational Resources Information Center

Bradley, Michael G.; Graham, John W.

1988-01-01

Investigates the relationship between educational attainment and married couples' efficiency at managing their assets. Using 1976 data, this study of over 750 Illinois couples disclosed little empirical evidence that education imparts efficiency to the realm of personal finance. Includes 6 tables, 5 notes, and 17 references. (MLH)

Normal order and extended Wick theorem for a multiconfiguration reference wave function

NASA Astrophysics Data System (ADS)

Kutzelnigg, Werner; Mukherjee, Debashis

1997-07-01

A generalization of normal ordering and of Wick's theorem with respect to an arbitrary reference function Φ as some generalized "physical vacuum" is formulated in a different (but essentially equivalent) way than that suggested previously by one of the present authors. Guiding principles are that normal order operators with respect to any reference state must be expressible as linear combinations of those with respect to the genuine vacuum, that the vacuum expectation value of a normal order operator must vanish (with respect to the vacuum to which it is in normal order), and that the well-known formalism for a single Slater determinant as physical vacuum must be contained as a special case. The derivation is largely based on the concepts of "Quantum Chemistry in Fock space," which means that particle-number-conserving operators (excitation operators) play a central role. Nevertheless, the contraction rules in the frame of a generalized Wick theorem are derived, that hold for non-particle-number-conserving operators as well. The contraction rules are formulated and illustrated in terms of diagrams. The contractions involve the "residual n-particle density matrices" λ, which are the irreducible (non-factorizable) parts of the conventional n-particle density matrices γ, in the sense of a cumulant expansion for the density. A spinfree formulation is presented as well. The expression of the Hamiltonian in normal order with respect to a multiconfiguration reference function leads to a natural definition of a generalized Fock operator. MC-SCF-theory is easily worked out in this context. The paper concludes with a discussion of the excited configurations and the first-order interacting space, that underlies a perturbative coupled cluster type correction to the MCSCF function for an arbitrary reference function, and with general implications of the new formalism, that is related to "internally contracted multireference configuration interaction." The present generalization of normal ordering is not only valid for arbitrary reference functions, but also if the reference state is an ensemble state.

Analytical Modelling of a Refractive Index Sensor Based on an Intrinsic Micro Fabry-Perot Interferometer

PubMed Central

Vargas-Rodriguez, Everardo; Guzman-Chavez, Ana D.; Cano-Contreras, Martin; Gallegos-Arellano, Eloisa; Jauregui-Vazquez, Daniel; Hernández-García, Juan C.; Estudillo-Ayala, Julian M.; Rojas-Laguna, Roberto

2015-01-01

In this work a refractive index sensor based on a combination of the non-dispersive sensing (NDS) and the Tunable Laser Spectroscopy (TLS) principles is presented. Here, in order to have one reference and one measurement channel a single-beam dual-path configuration is used for implementing the NDS principle. These channels are monitored with a couple of identical optical detectors which are correlated to calculate the overall sensor response, called here the depth of modulation. It is shown that this is useful to minimize drifting errors due to source power variations. Furthermore, a comprehensive analysis of a refractive index sensing setup, based on an intrinsic micro Fabry-Perot Interferometer (FPI) is described. Here, the changes over the FPI pattern as the exit refractive index is varied are analytically modelled by using the characteristic matrix method. Additionally, our simulated results are supported by experimental measurements which are also provided. Finally it is shown that by using this principle a simple refractive index sensor with a resolution in the order of 2.15 × 10−4 RIU can be implemented by using a couple of standard and low cost photodetectors. PMID:26501277

An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands.

PubMed

Saleh, Noureldin; Ibrahim, Passainte; Saladino, Giorgio; Gervasio, Francesco Luigi; Clark, Timothy

2017-05-22

A generally applicable metadynamics scheme for predicting the free energy profile of ligand binding to G-protein-coupled receptors (GPCRs) is described. A common and effective collective variable (CV) has been defined using the ideally placed and highly conserved Trp6.48 as a reference point for ligand-GPCR distance measurement and the common orientation of GPCRs in the cell membrane. Using this single CV together with well-tempered multiple-walker metadynamics with a funnel-like boundary allows an efficient exploration of the entire ligand binding path from the extracellular medium to the orthosteric binding site, including vestibule and intermediate sites. The protocol can be used with X-ray structures or high-quality homology models (based on a high-quality template and after thorough refinement) for the receptor and is universally applicable to agonists, antagonists, and partial and reverse agonists. The root-mean-square error (RMSE) in predicted binding free energies for 12 diverse ligands in five receptors (a total of 23 data points) is surprisingly small (less than 1 kcal mol -1 ). The RMSEs for simulations that use receptor X-ray structures and homology models are very similar.

Analytical modelling of a refractive index sensor based on an intrinsic micro Fabry-Perot interferometer.

PubMed

Vargas-Rodriguez, Everardo; Guzman-Chavez, Ana D; Cano-Contreras, Martin; Gallegos-Arellano, Eloisa; Jauregui-Vazquez, Daniel; Hernández-García, Juan C; Estudillo-Ayala, Julian M; Rojas-Laguna, Roberto

2015-10-15

In this work a refractive index sensor based on a combination of the non-dispersive sensing (NDS) and the Tunable Laser Spectroscopy (TLS) principles is presented. Here, in order to have one reference and one measurement channel a single-beam dual-path configuration is used for implementing the NDS principle. These channels are monitored with a couple of identical optical detectors which are correlated to calculate the overall sensor response, called here the depth of modulation. It is shown that this is useful to minimize drifting errors due to source power variations. Furthermore, a comprehensive analysis of a refractive index sensing setup, based on an intrinsic micro Fabry-Perot Interferometer (FPI) is described. Here, the changes over the FPI pattern as the exit refractive index is varied are analytically modelled by using the characteristic matrix method. Additionally, our simulated results are supported by experimental measurements which are also provided. Finally it is shown that by using this principle a simple refractive index sensor with a resolution in the order of 2.15 × 10(-4) RIU can be implemented by using a couple of standard and low cost photodetectors.

The direct field boundary impedance of two-dimensional periodic structures with application to high frequency vibration prediction.

PubMed

Langley, Robin S; Cotoni, Vincent

2010-04-01

Large sections of many types of engineering construction can be considered to constitute a two-dimensional periodic structure, with examples ranging from an orthogonally stiffened shell to a honeycomb sandwich panel. In this paper, a method is presented for computing the boundary (or edge) impedance of a semi-infinite two-dimensional periodic structure, a quantity which is referred to as the direct field boundary impedance matrix. This terminology arises from the fact that none of the waves generated at the boundary (the direct field) are reflected back to the boundary in a semi-infinite system. The direct field impedance matrix can be used to calculate elastic wave transmission coefficients, and also to calculate the coupling loss factors (CLFs), which are required by the statistical energy analysis (SEA) approach to predicting high frequency vibration levels in built-up systems. The calculation of the relevant CLFs enables a two-dimensional periodic region of a structure to be modeled very efficiently as a single subsystem within SEA, and also within related methods, such as a recently developed hybrid approach, which couples the finite element method with SEA. The analysis is illustrated by various numerical examples involving stiffened plate structures.

Far-field coupling in nanobeam photonic crystal cavities

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

Rousseau, Ian, E-mail: ian.rousseau@epfl.ch; Sánchez-Arribas, Irene; Carlin, Jean-François

2016-05-16

We optimized the far-field emission pattern of one-dimensional photonic crystal nanobeams by modulating the nanobeam width, forming a sidewall Bragg cross-grating far-field coupler. By setting the period of the cross-grating to twice the photonic crystal period, we showed using three-dimensional finite-difference time-domain simulations that the intensity extracted to the far-field could be improved by more than three orders of magnitude compared to the unmodified ideal cavity geometry. We then experimentally studied the evolution of the quality factor and far-field intensity as a function of cross-grating coupler amplitude. High quality factor (>4000) blue (λ = 455 nm) nanobeam photonic crystals were fabricated out ofmore » GaN thin films on silicon incorporating a single InGaN quantum well gain medium. Micro-photoluminescence spectroscopy of sets of twelve identical nanobeams revealed a nine-fold average increase in integrated far-field emission intensity and no change in average quality factor for the optimized structure compared to the unmodulated reference. These results are useful for research environments and future nanophotonic light-emitting applications where vertical in- and out-coupling of light to nanocavities is required.« less

Langmuir Probe Measurements in an Inductively Coupled GEC Reference Cell Plasma

NASA Technical Reports Server (NTRS)

Ji, J. S.; Kim, J. S.; Cappelli, M. A.; Sharma, S. P.; Arnold, J. O. (Technical Monitor)

1998-01-01

Measurements of electron number density, electron temperature, and electron energy distribution function (EEDF) using a compensated Langmuir probe have been performed on an inductively (transformer ) coupled Gaseous Electronics Conference (GEC) reference cell plasma. The plasma source is operated with CH4, CF4, or their mixtures with argon. The effect of independently driving the electrode supporting the wafer on the probe data is studied. In particular, we find that the plasma structure depends on the phase in addition to the magnitude of the power coupled to the electrode relative to that of the transformer coil. The Langmuir probe is translated in a plane parallel to the electrode to investigate the spatial structure of the plasma. The probe data is also compared with fluid model predictions.

Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

NASA Astrophysics Data System (ADS)

Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

2016-08-01

Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ˜100 meV even in the "half-vertical cavity surface emitting lasing" microcavity structure.

Super-Poissonian statistics of photon emission from single CdSe-CdS core-shell nanocrystals coupled to metal nanostructures.

PubMed

Park, Young-Shin; Ghosh, Yagnaseni; Chen, Yongfen; Piryatinski, Andrei; Xu, Ping; Mack, Nathan H; Wang, Hsing-Lin; Klimov, Victor I; Hollingsworth, Jennifer A; Htoon, Han

2013-03-15

We demonstrate that photon antibunching observed for individual nanocrystal quantum dots (NQDs) can be transformed into photon bunching characterized by super-Poissonian statistics when they are coupled to metal nanostructures (MNs). This observation indicates that, while the quantum yield of a biexciton (Q(2X)) is lower than that of a single exciton (Q(1X)) in freestanding NQDs, Q(2X) becomes greater than Q(1X) in NQDs coupled to MNs. This unique phenomenon is attributed to metal-induced quenching with a rate that scales more slowly with exciton multiplicity than the radiative decay rate and dominates over other nonradiative decay channels for both single excitons and biexcitons.

Coupling a single nitrogen-vacancy center with a superconducting qubit via the electro-optic effect

NASA Astrophysics Data System (ADS)

Li, Chang-Hao; Li, Peng-Bo

2018-05-01

We propose an efficient scheme for transferring quantum states and generating entangled states between two qubits of different nature. The hybrid system consists of a single nitrogen-vacancy (NV) center and a superconducting (SC) qubit, which couple to an optical cavity and a microwave resonator, respectively. Meanwhile, the optical cavity and the microwave resonator are coupled via the electro-optic effect. By adjusting the relative parameters, we can achieve high-fidelity quantum state transfer as well as highly entangled states between the NV center and the SC qubit. This protocol is within the reach of currently available techniques, and may provide interesting applications in quantum communication and computation with single NV centers and SC qubits.

Surface acoustic wave regulated single photon emission from a coupled quantum dot–nanocavity system

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

Weiß, M.; Kapfinger, S.; Wixforth, A.

2016-07-18

A coupled quantum dot–nanocavity system in the weak coupling regime of cavity-quantumelectrodynamics is dynamically tuned in and out of resonance by the coherent elastic field of a f{sub SAW} ≃ 800 MHz surface acoustic wave. When the system is brought to resonance by the sound wave, light-matter interaction is strongly increased by the Purcell effect. This leads to a precisely timed single photon emission as confirmed by the second order photon correlation function, g{sup (2)}. All relevant frequencies of our experiment are faithfully identified in the Fourier transform of g{sup (2)}, demonstrating high fidelity regulation of the stream of single photonsmore » emitted by the system.« less

Single Cell Fluorescence Imaging Using Metal Plasmon-Coupled Probe

PubMed Central

Zhang, Jian; Fu, Yi; Lakowicz, Joseph R.

2009-01-01

This work constitutes the first fluorescent imaging of cells using metal plasmon-coupled probes (PCPs) at single cell resolution. N-(2-Mercapto-propionyl)glycine-coated silver nanoparticles were synthesized by reduction of silver nitrate using sodium borohyride and then succinimidylated via ligand exchange. Alexa Fluor 647-labeled concanavalin A (con A) was chemically bound to the silver particles to make the fluorescent metal plasmon-coupled probes. The fluorescence images were collected using a scanning confocal microscopy. The fluorescence intensity was observed to enhance 7-fold when binding the labeled con A on a single silver particle. PCPs were conjugated on HEK 293 A cells. Imaging results demonstrate that cells labeled by PCPs were 20-fold brighter than those by free labeled con A. PMID:17375898

Low-energy electron-impact single ionization of helium

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

Colgan, J.; Pindzola, M. S.; Childers, G.

2006-04-15

A study is made of low-energy electron-impact single ionization of ground-state helium. The time-dependent close-coupling method is used to calculate total integral, single differential, double differential, and triple differential ionization cross sections for impact electron energies ranging from 32 to 45 eV. For all quantities, the calculated cross sections are found to be in very good agreement with experiment, and for the triple differential cross sections, good agreement is also found with calculations made using the convergent close-coupling technique.

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

Serkland, Darwin K.; So, Haley M.; Peake, Gregory M.

Here, we report on mode selection and tuning properties of vertical-external-cavity surface-emitting lasers (VECSELs) containing coupled semiconductor and external cavities of total length less than 1 mm. Our goal is to create narrowlinewidth (<1MHz) single-frequency VECSELs that operate near 850 nm on a single longitudinal cavity resonance and tune versus temperature without mode hops. We have designed, fabricated, and measured VECSELs with external-cavity lengths ranging from 25 to 800 μm. Lastly, we compare simulated and measured coupled-cavity mode frequencies and discuss criteria for single mode selection.

Detection of heart rate and rhythm with a smartphone-based electrocardiograph versus a reference standard electrocardiograph in dogs and cats.

PubMed

Kraus, Marc S; Gelzer, Anna R; Rishniw, Mark

2016-07-15

OBJECTIVE To evaluate the diagnostic utility of ECGs acquired with a smartphone-based device, compared with reference 6-lead ECGs, for identification of heart rate and rhythm in dogs and cats. DESIGN Prospective study. ANIMALS 51 client-owned dogs and 27 client-owned cats. PROCEDURES Patients examined by a small animal referral cardiology service between April 2012 and January 2013 were enrolled consecutively. In each patient, a 30-second ECG was simultaneously acquired with a smartphone-based device (a bipolar, single-lead recorder coupled to a smartphone with an ECG application) and a standard 6-lead ECG machine. Recordings were evaluated by 3 board-certified cardiologists, and intra- and interobserver agreement were evaluated for both rhythm diagnosis and QRS polarity identification. RESULTS Values for instantaneous and mean heart rates for the smartphone-acquired and reference ECGs were within 1 beat of each other when mean heart rates were calculated. Intraobserver agreement for rhythm assessment was very high, with maximum disagreement for any observer for only 2 of 51 dogs and only 4 of 27 cats. There was minimal disagreement in the polarity of depolarization between the smartphone-acquired and reference ECGs in dogs but frequent disagreement in cats. Interobserver agreement for smartphone-acquired ECGs was similar to that for reference ECGs. with all 3 observers agreeing on the rhythm analysis and minimal disagreement on polarity. CONCLUSIONS AND CLINICAL RELEVANCE Results suggested that ECGs acquired with the smartphone-based device accurately identified heart rate and rhythm in dogs and cats. Thus, the device may allow veterinarians to evaluate and manage cardiac arrhythmias relatively inexpensively at the cage side and could also allow clinicians to rapidly share information via email for further consultation, potentially enhancing patient care.

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

Daleu, C. L.; Plant, R. S.; Woolnough, S. J.

Here, as part of an international intercomparison project, a set of single-column models (SCMs) and cloud-resolving models (CRMs) are run under the weak-temperature gradient (WTG) method and the damped gravity wave (DGW) method. For each model, the implementation of the WTG or DGW method involves a simulated column which is coupled to a reference state defined with profiles obtained from the same model in radiative-convective equilibrium. The simulated column has the same surface conditions as the reference state and is initialized with profiles from the reference state. We performed systematic comparison of the behavior of different models under a consistentmore » implementation of the WTG method and the DGW method and systematic comparison of the WTG and DGW methods in models with different physics and numerics. CRMs and SCMs produce a variety of behaviors under both WTG and DGW methods. Some of the models reproduce the reference state while others sustain a large-scale circulation which results in either substantially lower or higher precipitation compared to the value of the reference state. CRMs show a fairly linear relationship between precipitation and circulation strength. SCMs display a wider range of behaviors than CRMs. Some SCMs under the WTG method produce zero precipitation. Within an individual SCM, a DGW simulation and a corresponding WTG simulation can produce different signed circulation. When initialized with a dry troposphere, DGW simulations always result in a precipitating equilibrium state. The greatest sensitivities to the initial moisture conditions occur for multiple stable equilibria in some WTG simulations, corresponding to either a dry equilibrium state when initialized as dry or a precipitating equilibrium state when initialized as moist. Multiple equilibria are seen in more WTG simulations for higher SST. In some models, the existence of multiple equilibria is sensitive to some parameters in the WTG calculations.« less

Coupling a single electron spin to a microwave resonator: Part I: controlling transverse and longitudinal couplings

NASA Astrophysics Data System (ADS)

Lachance-Quirion, Dany; Beaudoin, Félix; Camirand Lemyre, Julien; Coish, William A.; Pioro-Ladrière, Michel

Novel quantum technologies can be combined within hybrid systems to benefit from the complementary capabilities of individual components. For example, microwave-frequency superconducting resonators are ideally suited to perform qubit readout and to mediate two-qubit gates, while spin qubits offer long coherence times and high-fidelity single-qubit gates. In this talk, we consider strong coupling between a microwave resonator and an electron-spin qubit in a double quantum dot due to an inhomogeneous magnetic field generated by a nearby nanomagnet.. Considering realistic parameters, we estimate spin-resonator couplings of order 1 MHz. Further, we show that the position of the double dot relative to the nanomagnet allows us to select between purely longitudinal and transverse couplings. While the transverse coupling may be used for quantum state transfer between the spin qubit and the resonator, the longitudinal coupling could be used in a new qubit readout scheme recently introduced for superconducting qubits.

Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

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

Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.

Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conicalmore » intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D{sub 6h} Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D{sub 2} eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D{sub 1}, D{sub 2} (N{sup +}-Phenyl, N-Phenyl{sup +}). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an oscillation of the spin density – charge migration – between the N atom and the phenyl ring with a period of 4 fs. When the nuclear motion becomes coupled, this oscillation persists in a damped form, followed by an effective charge transfer after 30 fs.« less

Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

NASA Astrophysics Data System (ADS)

Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.

2013-07-01

Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conical intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D6h Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D2 eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D1, D2 (N+-Phenyl, N-Phenyl+). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an oscillation of the spin density - charge migration - between the N atom and the phenyl ring with a period of 4 fs. When the nuclear motion becomes coupled, this oscillation persists in a damped form, followed by an effective charge transfer after 30 fs.

A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves

NASA Astrophysics Data System (ADS)

Giner, Emmanuel; Angeli, Celestino; Garniron, Yann; Scemama, Anthony; Malrieu, Jean-Paul

2017-06-01

The present paper introduces a new multi-reference perturbation approach developed at second order, based on a Jeziorski-Mokhorst expansion using individual Slater determinants as perturbers. Thanks to this choice of perturbers, an effective Hamiltonian may be built, allowing for the dressing of the Hamiltonian matrix within the reference space, assumed here to be a CAS-CI. Such a formulation accounts then for the coupling between the static and dynamic correlation effects. With our new definition of zeroth-order energies, these two approaches are strictly size-extensive provided that local orbitals are used, as numerically illustrated here and formally demonstrated in the Appendix. Also, the present formalism allows for the factorization of all double excitation operators, just as in internally contracted approaches, strongly reducing the computational cost of these two approaches with respect to other determinant-based perturbation theories. The accuracy of these methods has been investigated on ground-state potential curves up to full dissociation limits for a set of six molecules involving single, double, and triple bond breaking together with an excited state calculation. The spectroscopic constants obtained with the present methods are found to be in very good agreement with the full configuration interaction results. As the present formalism does not use any parameter or numerically unstable operation, the curves obtained with the two methods are smooth all along the dissociation path.

A new hybrid approach for MHC genotyping: high-throughput NGS and long read MinION nanopore sequencing, with application to the non-model vertebrate Alpine chamois (Rupicapra rupicapra).

PubMed

Fuselli, S; Baptista, R P; Panziera, A; Magi, A; Guglielmi, S; Tonin, R; Benazzo, A; Bauzer, L G; Mazzoni, C J; Bertorelle, G

2018-03-24

The major histocompatibility complex (MHC) acts as an interface between the immune system and infectious diseases. Accurate characterization and genotyping of the extremely variable MHC loci are challenging especially without a reference sequence. We designed a combination of long-range PCR, Illumina short-reads, and Oxford Nanopore MinION long-reads approaches to capture the genetic variation of the MHC II DRB locus in an Italian population of the Alpine chamois (Rupicapra rupicapra). We utilized long-range PCR to generate a 9 Kb fragment of the DRB locus. Amplicons from six different individuals were fragmented, tagged, and simultaneously sequenced with Illumina MiSeq. One of these amplicons was sequenced with the MinION device, which produced long reads covering the entire amplified fragment. A pipeline that combines short and long reads resolved several short tandem repeats and homopolymers and produced a de novo reference, which was then used to map and genotype the short reads from all individuals. The assembled DRB locus showed a high level of polymorphism and the presence of a recombination breakpoint. Our results suggest that an amplicon-based NGS approach coupled with single-molecule MinION nanopore sequencing can efficiently achieve both the assembly and the genotyping of complex genomic regions in multiple individuals in the absence of a reference sequence.

Effects of underwater turbulence on laser beam propagation and coupling into single-mode optical fiber.

PubMed

Hanson, Frank; Lasher, Mark

2010-06-01

We characterize and compare the effects of turbulence on underwater laser propagation with theory. Measurements of the coupling efficiency of the focused beam into a single-mode fiber are reported. A simple tip-tilt control system, based on the position of the image centroid in the focal plane, was shown to maintain good coupling efficiency for a beam radius equal to the transverse coherence length, r(0). These results are relevant to high bandwidth communication technology that requires good spatial mode quality.

Strong coupling between adenine nucleobases in DNA single strands revealed by circular dichroism using synchrotron radiation

NASA Astrophysics Data System (ADS)

Kadhane, Umesh; Holm, Anne I. S.; Hoffmann, Søren Vrønning; Nielsen, Steen Brøndsted

2008-02-01

Circular dichroism (CD) experiments on DNA single strands (dAn) at the ASTRID synchrotron radiation facility reveal that eight adenine (A) bases electronically couple upon 190nm excitation. After n=8 , the CD signal increases linearly with n with a slope equal to the sum of the coupling terms. Nearest neighbor interactions account for only 24% of the CD signal whereas electronic communication is limited to nearest neighbors for two other exciton bands observed at 218 and 251nm (i.e., dimer excited states). Electronic coupling between bases in DNA is important for nonradiative deexcitation of electronically excited states since the hazardous energy is spread over a larger spatial region.

Antiferromagnetic exchange coupling measurements on single Co clusters

NASA Astrophysics Data System (ADS)

Wernsdorfer, W.; Leroy, D.; Portemont, C.; Brenac, A.; Morel, R.; Notin, L.; Mailly, D.

2009-03-01

We report on single-cluster measurements of the angular dependence of the low-temperature ferromagnetic core magnetization switching field in exchange-coupled Co/CoO core-shell clusters (4 nm) using a micro-bridge DC superconducting quantum interference device (μ-SQUID). It is observed that the coupling with the antiferromagnetic shell induces modification in the switching field for clusters with intrinsic uniaxial anisotropy depending on the direction of the magnetic field applied during the cooling. Using a modified Stoner-Wohlfarth model, it is shown that the core interacts with two weakly coupled and asymmetrical antiferromagnetic sublattices. Ref.: C. Portemont, R. Morel, W. Wernsdorfer, D. Mailly, A. Brenac, and L. Notin, Phys. Rev. B 78, 144415 (2008)

Photoionization of Li2

NASA Astrophysics Data System (ADS)

Li, Y.; Pindzola, M. S.; Ballance, C. P.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Li2 are calculated using a time-dependent close-coupling method. The correlation between the outer two electrons of Li2 is obtained by relaxation of the close-coupled equations in imaginary time. Propagation of the close-coupled equations in real time yields single and double photoionization cross sections for Li2. The two active electron cross sections are compared with one active electron distorted-wave and close-coupling results for both Li and Li2. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Single-mode fibers to single-mode waveguides coupling with minimum Fresnel back-reflection

NASA Astrophysics Data System (ADS)

Sneh, Anat; Ruschin, Shlomo; Marom, Emanuel

1991-04-01

Slantly polished fibers and waveguides coupling as a means for achieving both low optical power reflection and efficient power transmission is proposed. Return losses exceeding -70 dB can be obtained in fiber-to-Lithium Niobate waveguides operating at ) = 0.633 jm and ) = 1.3 pm by polishing the fiber at an angle of 6°. A phase matching condition between the propagation constants ,8 and the polishing angles in the fiber and the waveguide: fl(fiber)sincx(fiber) = fl(waveguide)sina(waveguide) must be fulifiled in order to enable efficient power coupling. Polishing angle tolerances of approximately lO are allowed for a maximum of 1 dB decrease in the coupling efficiency.

Spin-orbit splitted excited states using explicitly-correlated equation-of-motion coupled-cluster singles and doubles eigenvectors

NASA Astrophysics Data System (ADS)

Bokhan, Denis; Trubnikov, Dmitrii N.; Perera, Ajith; Bartlett, Rodney J.

2018-04-01

An explicitly-correlated method of calculation of excited states with spin-orbit couplings, has been formulated and implemented. Developed approach utilizes left and right eigenvectors of equation-of-motion coupled-cluster model, which is based on the linearly approximated explicitly correlated coupled-cluster singles and doubles [CCSD(F12)] method. The spin-orbit interactions are introduced by using the spin-orbit mean field (SOMF) approximation of the Breit-Pauli Hamiltonian. Numerical tests for several atoms and molecules show good agreement between explicitly-correlated results and the corresponding values, calculated in complete basis set limit (CBS); the highly-accurate excitation energies can be obtained already at triple- ζ level.

Strong coupling of a single electron in silicon to a microwave photon

NASA Astrophysics Data System (ADS)

Mi, X.; Cady, J. V.; Zajac, D. M.; Deelman, P. W.; Petta, J. R.

2017-01-01

Silicon is vital to the computing industry because of the high quality of its native oxide and well-established doping technologies. Isotopic purification has enabled quantum coherence times on the order of seconds, thereby placing silicon at the forefront of efforts to create a solid-state quantum processor. We demonstrate strong coupling of a single electron in a silicon double quantum dot to the photonic field of a microwave cavity, as shown by the observation of vacuum Rabi splitting. Strong coupling of a quantum dot electron to a cavity photon would allow for long-range qubit coupling and the long-range entanglement of electrons in semiconductor quantum dots.

Studies on low-loss coupling of non-node anti-resonant hollow-core fiber and tapered fiber

NASA Astrophysics Data System (ADS)

Zhang, Naiqian; Wang, Zefeng; Liu, Wenbo; Xi, Xiaoming

2017-10-01

Up to now, near almost optical fiber gas lasers employ/adopt the scheme of free-space coupling, which increases the difficulty to adjust the optical path, and has poor stability. All-fiber structure fiber-gas lasers are important development directions in the future. We established the numerical model of SMF-28 type tapered single-mode fiber and non-node hollow-core fiber. When the SMF-28 type single-mode fiber has a waist diameter of 40μm when the light source is LP01 fundamental mode with 1550nm wavelength, the mode field diameter is the largest. Meanwhile, we simulated that the equivalent mode field diameter of non-node anti-resonant hollow-core fiber is about 75μm at the same 1550nm wavelength light source. Then, we use different waist diameters of SMF-28 type tapered fibers injected to the non-node anti-resonant hollow-core fiber in simulation and experiments. In the scheme of the single-ended low-loss coupling, the simulation results indicate that the best waist diameter of tapered fiber is 40μm, and the calculated maximum coupling efficiency is 83.55%. Meanwhile, the experimental result of maximum coupling efficiency is 80.74% when the best waist diameter of tapered fiber is also 40μm. As for the double-ended low-loss coupling, the calculated maximum coupling efficiency is near 83.38%.

Preparation and certification of arsenate [As(V)] reference material, NMIJ CRM 7912-a.

PubMed

Narukawa, Tomohiro; Kuroiwa, Takayoshi; Narushima, Izumi; Jimbo, Yasujiro; Suzuki, Toshihiro; Chiba, Koichi

2010-05-01

Arsenate [As(V)] solution reference material, National Metrology Institute of Japan (NMIJ) certified reference material (CRM) 7912-a, for speciation of arsenic species was developed and certified by NMIJ, the National Institute of Advanced Industrial Science and Technology. High-purity As(2)O(3) reagent powder was dissolved in 0.8 M HNO(3) solution and As(III) was oxidized to As(V) with HNO(3) to prepare 100 mg kg(-1) of As(V) candidate CRM solution. The solution was bottled in 400 bottles (50 mL each). The concentration of As(V) was determined by four independent analytical techniques-inductively coupled plasma mass spectrometry, inductively coupled plasma optical emission spectrometry, graphite furnace atomic absorption spectrometry, and liquid chromatography inductively coupled plasma mass spectrometry-according to As(V) calibration solutions, which were prepared from the arsenic standard of the Japan Calibration Service system and whose species was guaranteed to be As(V) by NMIJ. The uncertainties of all the measurements and preparation procedures were evaluated. The certified value of As(V) in the CRM is (99.53 +/- 1.67) mg kg(-1) (k = 2).

Switching power pulse system

DOEpatents

Aaland, Kristian

1983-01-01

A switching system for delivering pulses of power from a source (10) to a load (20) using a storage capacitor (C3) charged through a rectifier (D1, D2), and maintained charged to a reference voltage level by a transistor switch (Q1) and voltage comparator (12). A thyristor (22) is triggered to discharge the storage capacitor through a saturable reactor (18) and fractional turn saturable transformer (16) having a secondary to primary turn ratio N of n:l/n=n.sup.2. The saturable reactor (18) functions as a "soaker" while the thyristor reaches saturation, and then switches to a low impedance state. The saturable transformer functions as a switching transformer with high impedance while a load coupling capacitor (C4) charges, and then switches to a low impedance state to dump the charge of the storage capacitor (C3) into the load through the coupling capacitor (C4). The transformer is comprised of a multilayer core (26) having two secondary windings (28, 30) tightly wound and connected in parallel to add their output voltage and reduce output inductance, and a number of single turn windings connected in parallel at nodes (32, 34) for the primary winding, each single turn winding linking a different one of the layers of the multilayer core. The load may be comprised of a resistive beampipe (40) for a linear particle accelerator and capacitance of a pulse forming network (42). To hold off discharge of the capacitance until it is fully charged, a saturable core (44) is provided around the resistive beampipe (40) to isolate the beampipe from the capacitance (42) until it is fully charged.

The dynamics of double slab subduction

NASA Astrophysics Data System (ADS)

Holt, A. F.; Royden, L. H.; Becker, T. W.

2017-04-01

We use numerical models to investigate the dynamics of two interacting slabs with parallel trenches. Cases considered are: a single slab reference, outward dipping slabs (out-dip), inward dipping slabs (in-dip) and slabs dipping in the same direction (same-dip). Where trenches converge over time (same-dip and out-dip systems), large positive dynamic pressures in the asthenosphere are generated beneath the middle plate and large trench-normal extensional forces are transmitted through the middle plate. This results in slabs that dip away from the middle plate at depth, independent of trench geometry. The single slab, the front slab in the same-dip case and both out-dip slabs undergo trench retreat and exhibit stable subduction. However, slabs within the other double subduction systems tend to completely overturn at the base of the upper mantle, and exhibit either trench advance (rear slab in same-dip), or near-stationary trenches (in-dip). For all slabs, the net slab-normal dynamic pressure at 330 km depth is nearly equal to the slab-normal force induced by slab buoyancy. For double subduction, the net outward force on the slabs due to dynamic pressure from the asthenosphere is effectively counterbalanced by the net extensional force transmitted through the middle plate. Thus, dynamic pressure at depth, interplate coupling and lithospheric stresses are closely linked and their effects cannot be isolated. Our results provide insights into both the temporal evolution of double slab systems on Earth and, more generally, how the various components of subduction systems, from mantle flow/pressure to interplate coupling, are dynamically linked.

Apparatus for direct-to-digital spatially-heterodyned holography

DOEpatents

Thomas, Clarence E.; Hanson, Gregory R.

2006-12-12

An apparatus operable to record a spatially low-frequency heterodyne hologram including spatially heterodyne fringes for Fourier analysis includes: a laser; a beamsplitter optically coupled to the laser; an object optically coupled to the beamsplitter; a focusing lens optically coupled to both the beamsplitter and the object; a digital recorder optically coupled to the focusing lens; and a computer that performs a Fourier transform, applies a digital filter, and performs an inverse Fourier transform. A reference beam and an object beam are focused by the focusing lens at a focal plane of the digital recorder to form a spatially low-frequency heterodyne hologram including spatially heterodyne fringes for Fourier analysis which is recorded by the digital recorder, and the computer transforms the recorded spatially low-frequency heterodyne hologram including spatially heterodyne fringes and shifts axes in Fourier space to sit on top of a heterodyne carrier frequency defined by an angle between the reference beam and the object beam and cuts off signals around an original origin before performing the inverse Fourier transform.

Single-photon absorption by single photosynthetic light-harvesting complexes

NASA Astrophysics Data System (ADS)

Chan, Herman C. H.; Gamel, Omar E.; Fleming, Graham R.; Whaley, K. Birgitta

2018-03-01

We provide a unified theoretical approach to the quantum dynamics of absorption of single photons and subsequent excitonic energy transfer in photosynthetic light-harvesting complexes. Our analysis combines a continuous mode < n > -photon quantum optical master equation for the chromophoric system with the hierarchy of equations of motion describing excitonic dynamics in presence of non-Markovian coupling to vibrations of the chromophores and surrounding protein. We apply the approach to simulation of absorption of single-photon coherent states by pigment-protein complexes containing between one and seven chromophores, and compare with results obtained by excitation using a thermal radiation field. We show that the values of excitation probability obtained under single-photon absorption conditions can be consistently related to bulk absorption cross-sections. Analysis of the timescale and efficiency of single-photon absorption by light-harvesting systems within this full quantum description of pigment-protein dynamics coupled to a quantum radiation field reveals a non-trivial dependence of the excitation probability and the excited state dynamics induced by exciton-phonon coupling during and subsequent to the pulse, on the bandwidth of the incident photon pulse. For bandwidths equal to the spectral bandwidth of Chlorophyll a, our results yield an estimation of an average time of ˜0.09 s for a single chlorophyll chromophore to absorb the energy equivalent of one (single-polarization) photon under irradiation by single-photon states at the intensity of sunlight.

Development of Single-Seed Near-Infrared Spectroscopic Predictions of Corn and Soybeans Constituents Using Bulk Teference Values and Mean Spectra

USDA-ARS?s Scientific Manuscript database

Near-Infrared reflectance spectroscopic prediction models were developed for common constituents of corn and soybeans using bulk reference values and mean spectra from single-seeds. The bulk reference model and a true single-seed model for soybean protein were compared to determine how well the bul...

Are severe depressive symptoms associated with infertility-related distress in individuals and their partners?

PubMed

Peterson, Brennan D; Sejbaek, Camilla S; Pirritano, Matthew; Schmidt, Lone

2014-01-01

Are severe depressive symptoms in women and men associated with individual and dyadic infertility-related stress in couples undergoing infertility treatment? Severe depressive symptoms were significantly associated with increased infertility-related distress at both the individual and partner level. WHAT IS KNOWN ALREADY?: An infertility diagnosis, the stress of medical treatments and a prior history of depression are risk factors for future depression in those undergoing fertility treatments. Studies examining the impact of severe depressive symptoms on infertility-related distress in couples are lacking. This cross-sectional study included 1406 couples who were consecutively referred patients undergoing fertility treatments in Denmark in the year 2000. A total of 1049 men and 1131 women were included in the study. Participants were consecutively referred patients undergoing a cycle of medically assisted reproduction treatment at five Danish public and private clinics specializing in treating fertility patients. Severe depressive symptoms were measured by the Mental Health Inventory 5 from the Short Form Health Survey 36. Infertility distress was measured by the COMPI Fertility Problem Stress Scales. Multilevel modelling using the actor-partner interdependence model was used to study the couple as the unit of analysis. Severe depressive symptoms were reported in 11.6% of women and 4.3% of men, and were significantly associated with increased infertility-related distress at the individual and partner level. There was no significant interaction for gender indicating that men and women did not differ in how severe depressive symptoms were associated with infertility distress. Because of the cross-sectional study design, the study findings only show an association between severe depressive symptoms to individual and partner distress at a single point in time; however, nothing is known about causality. This study adds to the growing body of literature using the couple as the unit of analysis to study the relationship between depression and infertility distress. Recommendations for medical and mental health professionals that underscore the potential risk factors for depressed men and women who are pursuing infertility treatments are provided. Additional studies using a longitudinal study design to track the impact of depression on distress over the course of the infertility treatment cycle would be valuable for increasing our understanding of the complex relationship that exists between these psychosocial factors. Authors Brennan Peterson and Matthew Pirritano have no financial disclosures for this study. Camilla Sandal Sejbaek and Lone Schmidt have received research grants from the Danish Health Insurance Foundation (J. nr. 2008B105) and Merck Sharp & Dohme. The funders had no influence on the data collection, analyses or conclusions of the study.

Localized one-dimensional single voxel magnetic resonance spectroscopy without J coupling modulations.

PubMed

Lin, Yanqin; Lin, Liangjie; Wei, Zhiliang; Zhong, Jianhui; Chen, Zhong

2016-12-01

To acquire single voxel localized one-dimensional 1 H magnetic resonance spectroscopy (MRS) without J coupling modulations, free from amplitude and phase distortions. A pulse sequence, named PRESSIR, is developed for volume localized MRS without J modulations at arbitrary echo time (TE). The J coupling evolution is suppressed by the J-refocused module that uses a 90° pulse at the midpoint of a double spin echo. The localization performance of the PRESSIR sequence was tested with a two-compartment phantom. The proposed sequence shows similar voxel localization accuracy as PRESS. Both PRESSIR and PRESS sequences were performed on MRS brain phantom and pig brain tissue. PRESS spectra suffer from amplitude and phase distortions due to J modulations, especially under moderate and long TEs, while PRESSIR spectra are almost free from distortions. The PRESSIR sequence proposed herein enables the acquisition of single voxel in-phase MRS within a single scan. It allows an enhanced signal intensity of J coupling metabolites and reducing undesired broad resonances with short T2s while suppressing J modulations. Moreover, it provides an approach for direct measurement of nonoverlapping J coupling peaks and of transverse relaxation times T2s. Magn Reson Med 76:1661-1667, 2016. © 2015 International Society for Magnetic Resonance in Medicine. © 2015 International Society for Magnetic Resonance in Medicine.

Design and Optimization of Multi-Pixel Transition-Edge Sensors for X-Ray Astronomy Applications

NASA Technical Reports Server (NTRS)

Smith, Stephen J.; Adams, Joseph S.; Bandler, Simon R.; Chervenak, James A.; Datesman, Aaron Michael; Eckart, Megan E.; Ewin, Audrey J.; Finkbeiner, Fred M.; Kelley, Richard L.; Kilbourne, Caroline A.;

A new infusion pathway intactness monitoring system.

PubMed

Ogawa, Hidekuni; Yonezawa, Yoshiharu; Maki, Hiromichi; Ninomiya, Ishio; Sata, Koji; Hamada, Shingo; Caldwell, W Morton

2006-01-01

A new infusion pathway monitoring system has been developed for hospital and home use. The system consists of linear integrated circuits and a low-power 8-bit single chip microcomputer which constantly monitors the infusion pathway intactness. An AC (alternating current) voltage is induced on the patient's body by electrostatic coupling from the normal 100 volt, 60 Hz AC power line wiring field in the patient's room. The induced AC voltage can be recorded by a main electrode wrapped around the infusion polyvinyl chloride tube. A reference electrode is wrapped on the electrode to monitor the AC voltage around the main electrode. If the injection needle or infusion tube becomes detached, then the system detects changes in the induced AC voltages and alerts the nursing station, via the nurse call system or PHS (personal handy phone system).

Demonstration of neutron detection utilizing open cell foam and noble gas scintillation

NASA Astrophysics Data System (ADS)

Lavelle, C. M.; Coplan, M.; Miller, E. C.; Thompson, Alan K.; Kowler, A. L.; Vest, Robert E.; Yue, A. T.; Koeth, T.; Al-Sheikhly, M.; Clark, Charles W.

2015-03-01

We present results demonstrating neutron detection via a closely spaced converter structure coupled to low pressure noble gas scintillation instrumented by a single photo-multiplier tube (PMT). The converter is dispersed throughout the gas volume using a reticulated vitreous carbon foam coated with boron carbide (B4C). A calibrated cold neutron beam is used to measure the neutron detection properties, using a thin film of enriched 10B as a reference standard. Monte Carlo computations of the ion energy deposition are discussed, including treatment of the foam random network. Results from this study indicate that the foam shadows a significant portion of the scintillation light from the PMT. The high scintillation yield of Xe appears to overcome the light loss, facilitating neutron detection and presenting interesting opportunities for neutron detector design.

Demonstration of neutron detection utilizing open cell foam and noble gas scintillation

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

Lavelle, C. M., E-mail: christopher.lavelle@jhuapl.edu; Miller, E. C.; Coplan, M.

2015-03-02

We present results demonstrating neutron detection via a closely spaced converter structure coupled to low pressure noble gas scintillation instrumented by a single photo-multiplier tube (PMT). The converter is dispersed throughout the gas volume using a reticulated vitreous carbon foam coated with boron carbide (B{sub 4}C). A calibrated cold neutron beam is used to measure the neutron detection properties, using a thin film of enriched {sup 10}B as a reference standard. Monte Carlo computations of the ion energy deposition are discussed, including treatment of the foam random network. Results from this study indicate that the foam shadows a significant portionmore » of the scintillation light from the PMT. The high scintillation yield of Xe appears to overcome the light loss, facilitating neutron detection and presenting interesting opportunities for neutron detector design.« less

Polarization microscopy by use of digital holography: application to optical-fiber birefringence measurements.

PubMed

Colomb, Tristan; Dürr, Florian; Cuche, Etienne; Marquet, Pierre; Limberger, Hans G; Salathé, René-Paul; Depeursinge, Christian

2005-07-20

We present a digital holographic microscope that permits one to image polarization state. This technique results from the coupling of digital holographic microscopy and polarization digital holography. The interference between two orthogonally polarized reference waves and the wave transmitted by a microscopic sample, magnified by a microscope objective, is recorded on a CCD camera. The off-axis geometry permits one to reconstruct separately from this single hologram two wavefronts that are used to image the object-wave Jones vector. We applied this technique to image the birefringence of a bent fiber. To evaluate the precision of the phase-difference measurement, the birefringence induced by internal stress in an optical fiber is measured and compared to the birefringence profile captured by a standard method, which had been developed to obtain high-resolution birefringence profiles of optical fibers.

Method for Correcting Control Surface Angle Measurements in Single Viewpoint Photogrammetry

NASA Technical Reports Server (NTRS)

Burner, Alpheus W. (Inventor); Barrows, Danny A. (Inventor)

2006-01-01

A method of determining a corrected control surface angle for use in single viewpoint photogrammetry to correct control surface angle measurements affected by wing bending. First and second visual targets are spaced apart &om one another on a control surface of an aircraft wing. The targets are positioned at a semispan distance along the aircraft wing. A reference target separation distance is determined using single viewpoint photogrammetry for a "wind off condition. An apparent target separation distance is then computed for "wind on." The difference between the reference and apparent target separation distances is minimized by recomputing the single viewpoint photogrammetric solution for incrementally changed values of target semispan distances. A final single viewpoint photogrammetric solution is then generated that uses the corrected semispan distance that produced the minimized difference between the reference and apparent target separation distances. The final single viewpoint photogrammetric solution set is used to determine the corrected control surface angle.

Single-mode very wide tunability in laterally coupled semiconductor lasers with electrically controlled reflectivities

NASA Astrophysics Data System (ADS)

Griffel, Giora; Chen, Howard Z.; Grave, Ilan; Yariv, Amnon

1991-04-01

The operation of a novel multisection structure comprised of laterally coupled gain-guided semiconductor lasers is demonstrated. It is shown that tunable single longitudinal mode operation can be achieved with a high degree of frequency selectivity. The device has a tuning range of 14.5 nm, the widest observed to date in a monolithic device.

Tuning of multiple luminescence outputs and white-light emission from a single gelator molecule through an ESIPT coupled AIEE process.

PubMed

Maity, Arunava; Ali, Firoj; Agarwalla, Hridesh; Anothumakkool, Bihag; Das, Amitava

2015-02-07

A unique example of an ESIPT coupled AIEE process, associated with a single molecule (1), is utilized for generating multiple luminescent colors (blue-green-white-yellow). The J-aggregated state of 1 forms a luminescent gel in THF and this luminescent property is retained even in the solid state.

Light coupling and distribution for Si3N4/SiO2 integrated multichannel single-mode sensing system

NASA Astrophysics Data System (ADS)

Kaźmierczak, Andrzej; Dortu, Fabian; Schrevens, Olivier; Giannone, Domenico; Bouville, David; Cassan, Eric; Gylfason, Kristinn B.; Sohlström, Hans; Sanchez, Benito; Griol, Amadeu; Hill, Daniel

2009-01-01

We present an efficient and highly alignment-tolerant light coupling and distribution system for a multichannel Si3N4/SiO2 single-mode photonics sensing chip. The design of the input and output couplers and the distribution splitters is discussed. Examples of multichannel data obtained with the system are given.

Computing Relative Free Energies of Solvation using Single Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange.

PubMed

Khavrutskii, Ilja V; Wallqvist, Anders

2010-11-09

This paper introduces an efficient single-topology variant of Thermodynamic Integration (TI) for computing relative transformation free energies in a series of molecules with respect to a single reference state. The presented TI variant that we refer to as Single-Reference TI (SR-TI) combines well-established molecular simulation methodologies into a practical computational tool. Augmented with Hamiltonian Replica Exchange (HREX), the SR-TI variant can deliver enhanced sampling in select degrees of freedom. The utility of the SR-TI variant is demonstrated in calculations of relative solvation free energies for a series of benzene derivatives with increasing complexity. Noteworthy, the SR-TI variant with the HREX option provides converged results in a challenging case of an amide molecule with a high (13-15 kcal/mol) barrier for internal cis/trans interconversion using simulation times of only 1 to 4 ns.

Single-mode laser studies: Design and performance of a fixed-wave length source and coupling of lasers to thin-film optical waveguides

NASA Technical Reports Server (NTRS)

Ladany, I.; Hammer, J. M.

1980-01-01

A module developed for the generation of a stable single wavelength to be used for a fiber optic multiplexing scheme is described. The laser is driven with RZ pulses, and the temperature is stabilized thermoelectrically. The unit is capable of maintaining a fixed wavelength within about 6 A as the pulse duty cycle is changed between 0 and 100 percent. This is considered the most severe case, and much tighter tolerances are obtainable for constant input power coding schemes. Using a constricted double heterostructure laser, a wavelength shift of 0.083 A mA is obtained due to laser self-heating by a dc driving current. The thermoelectric unit is capable of maintaining a constant laser heat-sink temperature within 0.02 C. In addition, miniature lenses and couplers are described which allow efficient coupling of single wavelength modes of junction lasers to thin film optical waveguides. The design of the miniature cylinder lenses and the prism coupling techniques allow 2 mW of single wavelength mode junction laser light to b coupled into thin film waveguides using compact assemblies. Selective grating couplers are also studied.

Dynamical theory of single-photon transport in a one-dimensional waveguide coupled to identical and nonidentical emitters

NASA Astrophysics Data System (ADS)

Liao, Zeyang; Nha, Hyunchul; Zubairy, M. Suhail

2016-11-01

We develop a general dynamical theory for studying a single-photon transport in a one-dimensional (1D) waveguide coupled to multiple emitters which can be either identical or nonidentical. In this theory, both the effects of the waveguide and non-waveguide vacuum modes are included. This theory enables us to investigate the propagation of an emitter excitation or an arbitrary single-photon pulse along an array of emitters coupled to a 1D waveguide. The dipole-dipole interaction induced by the non-waveguide modes, which is usually neglected in the literature, can significantly modify the dynamics of the emitter system as well as the characteristics of the output field if the emitter separation is much smaller than the resonance wavelength. Nonidentical emitters can also strongly couple to each other if their energy difference is less than or of the order of the dipole-dipole energy shift. Interestingly, if their energy difference is close but nonzero, a very narrow transparency window around the resonance frequency can appear which does not occur for identical emitters. This phenomenon may find important applications in quantum waveguide devices such as optical switches and ultranarrow single-photon frequency comb generator.

Integrated nanoplasmonic quantum interfaces for room-temperature single-photon sources

NASA Astrophysics Data System (ADS)

Peyskens, Frédéric; Englund, Dirk; Chang, Darrick

2017-12-01

We describe a general analytical framework of a nanoplasmonic cavity-emitter system interacting with a dielectric photonic waveguide. Taking into account emitter quenching and dephasing, our model directly reveals the single-photon extraction efficiency η as well as the indistinguishability I of photons coupled into the waveguide mode. Rather than minimizing the cavity modal volume, our analysis predicts an optimum modal volume to maximize η that balances waveguide coupling and spontaneous emission rate enhancement. Surprisingly, our model predicts that near-unity indistinguishability is possible, but this requires a much smaller modal volume, implying a fundamental performance trade-off between high η and I at room temperature. Finally, we show that maximizing η I requires that the system has to be driven in the weak coupling regime because quenching effects and decreased waveguide coupling drastically reduce η in the strong coupling regime.

Millimeter Wave Sensor For On-Line Inspection Of Thin Sheet Dielectrics

DOEpatents

Bakhtiari, Sasan; Gopalsami, Nachappa; Raptis, Apostolos C.

1999-03-23

A millimeter wave sensor is provided for non-destructive inspection of thin sheet dielectric materials. The millimeter wave sensor includes a Gunn diode oscillator (GDO) source generating a mill meter wave electromagnetic energy signal having a single frequency. A heater is coupled to the GDO source for stabilizing the single frequency. A small size antenna is coupled to the GDO source for transmitting the millimeter wave electromagnetic energy signal to a sample material and for receiving a reflected millimeter wave electromagnetic energy signal from the sample material. Ferrite circulator isolators coupled between the GDO source and the antenna separate the millimeter wave electromagnetic energy signal into transmitted and received electromagnetic energy signal components and a detector detects change in both amplitude and phase of the transmitted and received electromagnetic energy signal components. A millimeter wave sensor is provided for non-destructive inspection of thin sheet dielectric materials. The millimeter wave sensor includes a Gunn diode oscillator (GDO) source generating a mill meter wave electromagnetic energy signal having a single frequency. A heater is coupled to the GDO source for stabilizing the single frequency. A small size antenna is coupled to the GDO source for transmitting the millimeter wave electromagnetic energy signal to a sample material and for receiving a reflected millimeter wave electromagnetic energy signal from the sample material. Ferrite circulator isolators coupled between the GDO source and the antenna separate the millimeter wave electromagnetic energy signal into transmitted and received electromagnetic energy signal components and a detector detects change in both amplitude and phase of the transmitted and received electromagnetic energy signal components.

Electrical coupling in ensembles of nonexcitable cells: modeling the spatial map of single cell potentials.

PubMed

Cervera, Javier; Manzanares, Jose Antonio; Mafe, Salvador

2015-02-19

We analyze the coupling of model nonexcitable (non-neural) cells assuming that the cell membrane potential is the basic individual property. We obtain this potential on the basis of the inward and outward rectifying voltage-gated channels characteristic of cell membranes. We concentrate on the electrical coupling of a cell ensemble rather than on the biochemical and mechanical characteristics of the individual cells, obtain the map of single cell potentials using simple assumptions, and suggest procedures to collectively modify this spatial map. The response of the cell ensemble to an external perturbation and the consequences of cell isolation, heterogeneity, and ensemble size are also analyzed. The results suggest that simple coupling mechanisms can be significant for the biophysical chemistry of model biomolecular ensembles. In particular, the spatiotemporal map of single cell potentials should be relevant for the uptake and distribution of charged nanoparticles over model cell ensembles and the collective properties of droplet networks incorporating protein ion channels inserted in lipid bilayers.

New Circuit QED system based on Triple-leg Stripline Resonator.

NASA Astrophysics Data System (ADS)

Kim, Dongmin; Moon, Kyungsun

Conventional circuit QED system consists of a qubit located inside a linear stripline resonator, which has successfully demonstrated a strong coupling between a single photon and a qubit. Here we present a new circuit QED system, where the qubit is coupled to triple-leg stripline resonator (TSR). We have shown that TSR supports two-fold degenerate photon modes among others. By coupling them to a single qubit, we have obtained the dressed states of a coupled system of a single qubit and two-fold degenerate photon modes. By locating two qubits at two legs of TSR, we have studied a potential two-bit gate operation (e.g., CNOT gate) of the system. We will discuss the main advantage of utilizing two-fold degenerate photon modes This work is partially supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (NRF-2016R1D1A1B01013756).

Scalable quantum computer architecture with coupled donor-quantum dot qubits

DOEpatents

Schenkel, Thomas; Lo, Cheuk Chi; Weis, Christoph; Lyon, Stephen; Tyryshkin, Alexei; Bokor, Jeffrey

2014-08-26

A quantum bit computing architecture includes a plurality of single spin memory donor atoms embedded in a semiconductor layer, a plurality of quantum dots arranged with the semiconductor layer and aligned with the donor atoms, wherein a first voltage applied across at least one pair of the aligned quantum dot and donor atom controls a donor-quantum dot coupling. A method of performing quantum computing in a scalable architecture quantum computing apparatus includes arranging a pattern of single spin memory donor atoms in a semiconductor layer, forming a plurality of quantum dots arranged with the semiconductor layer and aligned with the donor atoms, applying a first voltage across at least one aligned pair of a quantum dot and donor atom to control a donor-quantum dot coupling, and applying a second voltage between one or more quantum dots to control a Heisenberg exchange J coupling between quantum dots and to cause transport of a single spin polarized electron between quantum dots.

Purcell-enhanced quantum yield from carbon nanotube excitons coupled to plasmonic nanocavities

DOE PAGES

Luo, Yue; Ahmadi, Ehsaneh D.; Shayan, Kamran; ...

2017-11-10

Single-walled carbon nanotubes (SWCNTs) are promising absorbers and emitters to enable novel photonic applications and devices but are also known to suffer from low optical quantum yields. Here we demonstrate SWCNT excitons coupled to plasmonic nanocavity arrays reaching deeply into the Purcell regime with Purcell factors (F P) up to F P = 180 (average F P = 57), Purcell-enhanced quantum yields of 62% (average 42%), and a photon emission rate of 15 MHz into the first lens. The cavity coupling is quasi-deterministic since the photophysical properties of every SWCNT are enhanced by at least one order of magnitude. Furthermore,more » the measured ultra-narrow exciton linewidth (18 ueV) reaches the radiative lifetime limit, which is promising towards generation of transform-limited single photons. Furthermore, to demonstrate utility beyond quantum light sources we show that nanocavity-coupled SWCNTs perform as single-molecule thermometers detecting plasmonically induced heat at cryogenic temperatures in a unique interplay of excitons, phonons, and plasmons at the nanoscale.« less

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.

PubMed

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C; Joyce, Kevin P; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing ([Formula: see text] for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining [Formula: see text] compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to [Formula: see text]. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple [Formula: see text] correction improved agreement with experiment from [Formula: see text] to [Formula: see text], despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling

NASA Astrophysics Data System (ADS)

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C.; Joyce, Kevin P.; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing (R=0.98 for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining R=0.73 compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to R=0.93. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple pK_{ {a}} correction improved agreement with experiment from R=0.54 to R=0.66, despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes

NASA Astrophysics Data System (ADS)

Wilbraham, Liam; Adamo, Carlo; Ciofini, Ilaria

2018-01-01

The computationally assisted, accelerated design of inorganic functional materials often relies on the ability of a given electronic structure method to return the correct electronic ground state of the material in question. Outlining difficulties with current density functionals and wave function-based approaches, we highlight why double hybrid density functionals represent promising candidates for this purpose. In turn, we show that PBE0-DH (and PBE-QIDH) offers a significant improvement over its hybrid parent functional PBE0 [as well as B3LYP* and coupled cluster singles and doubles with perturbative triples (CCSD(T))] when computing spin-state splitting energies, using high-level diffusion Monte Carlo calculations as a reference. We refer to the opposing influence of Hartree-Fock (HF) exchange and MP2, which permits higher levels of HF exchange and a concomitant reduction in electronic density error, as the reason for the improved performance of double-hybrid functionals relative to hybrid functionals. Additionally, using 16 transition metal (Fe and Co) complexes, we show that low-spin states are stabilised by increasing contributions from MP2 within the double hybrid formulation. Furthermore, this stabilisation effect is more prominent for high field strength ligands than low field strength ligands.

Single atom emission in an optical resonator

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

Childs, J.J.; An, K.; Dasari, R.R.

A single atom coupled to a single mode of a radiation field is a fundamental system for studying the interaction of radiation with matter. The study of such systems has come to be called cavity quantum electrodynamics (QED). Atoms coupled to a single mode of a resonator have been studied experimentally and theoretically in several interesting regimes since this basic system was first considered theoretically by Janes and Cummings. The objective of the present chapter is to provide a theoretical framework and present a unifying picture of the various phenomena which can occur in such a system. 35 refs., 11more » figs.« less

Bright nanowire single photon source based on SiV centers in diamond

DOE PAGES

Marseglia, L.; Saha, K.; Ajoy, A.; ...

2018-01-01

The practical implementation of quantum technologies such as quantum commu- nication and quantum cryptography relies on the development of indistinguishable, robust, and bright single photon sources that works at room temperature. The silicon- vacancy (SiV -) center in diamond has emerged as a possible candidate for a single photon source with all these characteristics. Unfortunately, due to the high refraction index mismatch between diamond and air, color centers in diamond show low photon out-coupling. This drawback can be overcome by fabrication of photonic structures that improve the in-coupling of excitation laser to the diamond defect as well as the out-couplingmore » emission from the color centers. An additional shortcoming is due to the random localization of native defects in the diamond sample. Here we demonstrate deterministic implantation of Si ions with high conversion effciency to single SiV -, targeted to fabricated nanowires. The co-localization of single SiV - defects with the nanostructures yields a ten times higher light coupling effciency as compared to single SiV - in the bulk. This result, with its intrinsic scalability, enables a new class of devices for integrated photonics and quantum information processing.« less

Single and Double Photoionization of Mg

NASA Astrophysics Data System (ADS)

Abdel-Naby, Shahin; Pindzola, M. S.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Mg are calculated using a time-dependent close-coupling method. The correlation between the two 3 s subshell electrons of Mg is obtained by relaxation of the close-coupled equations in imaginary time. An implicit method is used to propagate the close-coupled equations in real time to obtain single and double ionization cross sections for Mg. Energy and angle triple differential cross sections for double photoionization at equal energy sharing of E1 =E2 = 16 . 4 eV are compared with Elettra experiments and previous theoretical calculations. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Strong spin-photon coupling in silicon

NASA Astrophysics Data System (ADS)

Samkharadze, N.; Zheng, G.; Kalhor, N.; Brousse, D.; Sammak, A.; Mendes, U. C.; Blais, A.; Scappucci, G.; Vandersypen, L. M. K.

2018-03-01

Long coherence times of single spins in silicon quantum dots make these systems highly attractive for quantum computation, but how to scale up spin qubit systems remains an open question. As a first step to address this issue, we demonstrate the strong coupling of a single electron spin and a single microwave photon. The electron spin is trapped in a silicon double quantum dot, and the microwave photon is stored in an on-chip high-impedance superconducting resonator. The electric field component of the cavity photon couples directly to the charge dipole of the electron in the double dot, and indirectly to the electron spin, through a strong local magnetic field gradient from a nearby micromagnet. Our results provide a route to realizing large networks of quantum dot–based spin qubit registers.

Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

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

Goto, Kaname; Yamashita, Kenichi, E-mail: yamasita@kit.ac.jp; Yanagi, Hisao

2016-08-08

Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even inmore » the “half-vertical cavity surface emitting lasing” microcavity structure.« less

On the measurement of intensity correlations from laboratory and astronomical sources with SPADs and SNSPDs

NASA Astrophysics Data System (ADS)

Schroeder, Edward; Mauskopf, Philip; Pilyavsky, Genady; Sinclair, Adrian; Smith, Nathan; Bryan, Sean; Mani, Hamdi; Morozov, Dmitry; Berggren, Karl; Zhu, Di; Smirnov, Konstantin; Vakhtomin, Yuriy

2016-08-01

We describe the performance of detector modules containing silicon single photon avalanche photodiodes (SPADs) and superconducting nanowire single photon detectors (SNSPDs) to be used for intensity interferometry. The SPADs are mounted in fiber-coupled and free-space coupled packages. The SNSPDs are mounted in a small liquid helium cryostat coupled to single mode fiber optic cables which pass through a hermetic feed-through. The detectors are read out with microwave amplifiers and FPGA-based coincidence electronics. We present progress on measurements of intensity correlations from incoherent sources including gas-discharge lamps and stars with these detectors. From the measured laboratory performance of the correlation system, we estimate the sensitivity to intensity correlations from stars using commercial telescopes and larger existing research telescopes.

Development and Applications of Advanced Electronic Structure Methods

NASA Astrophysics Data System (ADS)

Bell, Franziska

This dissertation contributes to three different areas in electronic structure theory. The first part of this thesis advances the fundamentals of orbital active spaces. Orbital active spaces are not only essential in multi-reference approaches, but have also become of interest in single-reference methods as they allow otherwise intractably large systems to be studied. However, despite their great importance, the optimal choice and, more importantly, their physical significance are still not fully understood. In order to address this problem, we studied the higher-order singular value decomposition (HOSVD) in the context of electronic structure methods. We were able to gain a physical understanding of the resulting orbitals and proved a connection to unrelaxed natural orbitals in the case of Moller-Plesset perturbation theory to second order (MP2). In the quest to find the optimal choice of the active space, we proposed a HOSVD for energy-weighted integrals, which yielded the fastest convergence in MP2 correlation energy for small- to medium-sized active spaces to date, and is also potentially transferable to coupled-cluster theory. In the second part, we studied monomeric and dimeric glycerol radical cations and their photo-induced dissociation in collaboration with Prof. Leone and his group. Understanding the mechanistic details involved in these processes are essential for further studies on the combustion of glycerol and carbohydrates. To our surprise, we found that in most cases, the experimentally observed appearance energies arise from the separation of product fragments from one another rather than rearrangement to products. The final chapters of this work focus on the development, assessment, and application of the spin-flip method, which is a single-reference approach, but capable of describing multi-reference problems. Systems exhibiting multi-reference character, which arises from the (near-) degeneracy of orbital energies, are amongst the most interesting in chemistry, biology and materials science, yet amongst the most challenging to study with electronic structure methods. In particular, we explored a substituted dimeric BPBP molecule with potential tetraradical character, which gained attention as one of the most promising candidates for an organic conductor. Furthermore, we extended the spin-flip approach to include variable orbital active spaces and multiple spin-flips. This allowed us to perform wave-function-based studies of ground- and excited-states of polynuclear metal complexes, polyradicals, and bond-dissociation processes involving three or more bonds.

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

Marseglia, L.; Saha, K.; Ajoy, A.

The practical implementation of quantum technologies such as quantum commu- nication and quantum cryptography relies on the development of indistinguishable, robust, and bright single photon sources that works at room temperature. The silicon- vacancy (SiV -) center in diamond has emerged as a possible candidate for a single photon source with all these characteristics. Unfortunately, due to the high refraction index mismatch between diamond and air, color centers in diamond show low photon out-coupling. This drawback can be overcome by fabrication of photonic structures that improve the in-coupling of excitation laser to the diamond defect as well as the out-couplingmore » emission from the color centers. An additional shortcoming is due to the random localization of native defects in the diamond sample. Here we demonstrate deterministic implantation of Si ions with high conversion effciency to single SiV -, targeted to fabricated nanowires. The co-localization of single SiV - defects with the nanostructures yields a ten times higher light coupling effciency as compared to single SiV - in the bulk. This result, with its intrinsic scalability, enables a new class of devices for integrated photonics and quantum information processing.« less

A difference in the pattern of repair in a large genomic region in UV-irradiated normal human and Cockayne syndrome cells.

PubMed

Shanower, G A; Kantor, G J

1997-11-01

Xeroderma pigmentosum group C cells repair DNA damaged by ultraviolet radiation in an unusual pattern throughout the genome. They remove cyclobutane pyrimidine dimers only from the DNA of transcriptionally active chromatin regions and only from the strand that contains the transcribed strand. The repair proceeds in a manner that creates damage-free islands which are in some cases much larger than the active gene associated with them. For example, the small transcriptionally active beta-actin gene (3.5 kb) is repaired as part of a 50 kb single-stranded region. The repair responsible for creating these islands requires active transcription, suggesting that the two activities are coupled. A preferential repair pathway in normal human cells promotes repair of actively transcribed DNA strands and is coupled to transcription. It is not known if similar large islands, referred to as repair domains, are preferentially created as a result of the coupling. Data are presented showing that in normal cells, preferential repair in the beta-actin region is associated with the creation of a large, completely repaired region in the partially repaired genome. Repair at other genomic locations which contain inactive genes (insulin, 754) does not create similar large regions as quickly. In contrast, repair in Cockayne syndrome cells, which are defective in the preferential repair pathway but not in genome-overall repair, proceeds in the beta-actin region by a mechanism which does not create preferentially a large repaired region. Thus a correlation between the activity required to preferentially repair active genes and that required to create repaired domains is detected. We propose an involvement of the transcription-repair coupling factor in a coordinated repair pathway for removing DNA damage from entire transcription units.

Using graph theory to quantify coarse sediment connectivity in alpine geosystems

NASA Astrophysics Data System (ADS)

Heckmann, Tobias; Thiel, Markus; Schwanghart, Wolfgang; Haas, Florian; Becht, Michael

2010-05-01

Networks are a common object of study in various disciplines. Among others, informatics, sociology, transportation science, economics and ecology frequently deal with objects which are linked with other objects to form a network. Despite this wide thematic range, a coherent formal basis to represent, measure and model the relational structure of models exists. The mathematical model for networks of all kinds is a graph which can be analysed using the tools of mathematical graph theory. In a graph model of a generic system, system components are represented by graph nodes, and the linkages between them are formed by graph edges. The latter may represent all kinds of linkages, from matter or energy fluxes to functional relations. To some extent, graph theory has been used in geosciences and related disciplines; in hydrology and fluvial geomorphology, for example, river networks have been modeled and analysed as graphs. An important issue in hydrology is the hydrological connectivity which determines if runoff generated on some area reaches the channel network. In ecology, a number of graph-theoretical indices is applicable to describing the influence of habitat distribution and landscape fragmentation on population structure and species mobility. In these examples, the mobility of matter (water, sediment, animals) through a system is an important consequence of system structure, i.e. the location and topology of its components as well as of properties of linkages between them. In geomorphology, sediment connectivity relates to the potential of sediment particles to move through the catchment. As a system property, connectivity depends, for example, on the degree to which hillslopes within a catchment are coupled to the channel system (lateral coupling), and to which channel reaches are coupled to each other (longitudinal coupling). In the present study, numerical GIS-based models are used to investigate the coupling of geomorphic process units by delineating the process domains of important geomorphic processes in a high-mountain environment (rockfall, slope-type debris flows, slope aquatic and fluvial processes). The results are validated by field mapping; they show that only small parts of a catchment are actually coupled to its outlet with respect to coarse (bedload) sediment. The models not only generate maps of the spatial extent and geomorphic activity of the aforementioned processes, they also output so-called edge lists that can be converted to adjacency matrices and graphs. Graph theory is then employed to explore ‘local' (i.e. referring to single nodes or edges) and ‘global' (i.e. system-wide, referring to the whole graph) measures that can be used to quantify coarse sediment connectivity. Such a quantification will complement the mainly qualitative appraisal of coupling and connectivity; the effect of connectivity on catchment properties such as specific sediment yield and catchment sensitivity will then be studied on the basis of quantitative measures.

Assessment of SFR Wire Wrap Simulation Uncertainties

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

Delchini, Marc-Olivier G.; Popov, Emilian L.; Pointer, William David

Predictive modeling and simulation of nuclear reactor performance and fuel are challenging due to the large number of coupled physical phenomena that must be addressed. Models that will be used for design or operational decisions must be analyzed for uncertainty to ascertain impacts to safety or performance. Rigorous, structured uncertainty analyses are performed by characterizing the model’s input uncertainties and then propagating the uncertainties through the model to estimate output uncertainty. This project is part of the ongoing effort to assess modeling uncertainty in Nek5000 simulations of flow configurations relevant to the advanced reactor applications of the Nuclear Energy Advancedmore » Modeling and Simulation (NEAMS) program. Three geometries are under investigation in these preliminary assessments: a 3-D pipe, a 3-D 7-pin bundle, and a single pin from the Thermal-Hydraulic Out-of-Reactor Safety (THORS) facility. Initial efforts have focused on gaining an understanding of Nek5000 modeling options and integrating Nek5000 with Dakota. These tasks are being accomplished by demonstrating the use of Dakota to assess parametric uncertainties in a simple pipe flow problem. This problem is used to optimize performance of the uncertainty quantification strategy and to estimate computational requirements for assessments of complex geometries. A sensitivity analysis to three turbulent models was conducted for a turbulent flow in a single wire wrapped pin (THOR) geometry. Section 2 briefly describes the software tools used in this study and provides appropriate references. Section 3 presents the coupling interface between Dakota and a computational fluid dynamic (CFD) code (Nek5000 or STARCCM+), with details on the workflow, the scripts used for setting up the run, and the scripts used for post-processing the output files. In Section 4, the meshing methods used to generate the THORS and 7-pin bundle meshes are explained. Sections 5, 6 and 7 present numerical results for the 3-D pipe, the single pin THORS mesh, and the 7-pin bundle mesh, respectively.« less

Modelling and simulation of biased agonism dynamics at a G protein-coupled receptor.

PubMed

Bridge, L J; Mead, J; Frattini, E; Winfield, I; Ladds, G

2018-04-07

Theoretical models of G protein-coupled receptor (GPCR) concentration-response relationships often assume an agonist producing a single functional response via a single active state of the receptor. These models have largely been analysed assuming steady-state conditions. There is now much experimental evidence to suggest that many GPCRs can exist in multiple receptor conformations and elicit numerous functional responses, with ligands having the potential to activate different signalling pathways to varying extents-a concept referred to as biased agonism, functional selectivity or pluri-dimensional efficacy. Moreover, recent experimental results indicate a clear possibility for time-dependent bias, whereby an agonist's bias with respect to different pathways may vary dynamically. Efforts towards understanding the implications of temporal bias by characterising and quantifying ligand effects on multiple pathways will clearly be aided by extending current equilibrium binding and biased activation models to include G protein activation dynamics. Here, we present a new model of time-dependent biased agonism, based on ordinary differential equations for multiple cubic ternary complex activation models with G protein cycle dynamics. This model allows simulation and analysis of multi-pathway activation bias dynamics at a single receptor for the first time, at the level of active G protein (α GTP ), towards the analysis of dynamic functional responses. The model is generally applicable to systems with N G G proteins and N* active receptor states. Numerical simulations for N G =N * =2 reveal new insights into the effects of system parameters (including cooperativities, and ligand and receptor concentrations) on bias dynamics, highlighting new phenomena including the dynamic inter-conversion of bias direction. Further, we fit this model to 'wet' experimental data for two competing G proteins (G i and G s ) that become activated upon stimulation of the adenosine A 1 receptor with adenosine derivative compounds. Finally, we show that our model can qualitatively describe the temporal dynamics of this competing G protein activation. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

A grating coupler with a trapezoidal hole array for perfectly vertical light coupling between optical fibers and waveguides

NASA Astrophysics Data System (ADS)

Mizutani, Akio; Eto, Yohei; Kikuta, Hisao

2017-12-01

A grating coupler with a trapezoidal hole array was designed and fabricated for perfectly vertical light coupling between a single-mode optical fiber and a silicon waveguide on a silicon-on-insulator (SOI) substrate. The grating coupler with an efficiency of 53% was computationally designed at a 1.1-µm-thick buried oxide (BOX) layer. The grating coupler and silicon waveguide were fabricated on the SOI substrate with a 3.0-µm-thick BOX layer by a single full-etch process. The measured coupling efficiency was 24% for TE-polarized light at 1528 nm wavelength, which was 0.69 times of the calculated coupling efficiency for the 3.0-µm-thick BOX layer.

Resonator modes and mode dynamics for an external cavity-coupled laser array

NASA Astrophysics Data System (ADS)

Nair, Niketh; Bochove, Erik J.; Aceves, Alejandro B.; Zunoubi, Mohammad R.; Braiman, Yehuda

2015-03-01

Employing a Fox-Li approach, we derived the cold-cavity mode structure and a coupled mode theory for a phased array of N single-transverse-mode active waveguides with feedback from an external cavity. We applied the analysis to a system with arbitrary laser lengths, external cavity design and coupling strengths to the external cavity. The entire system was treated as a single resonator. The effect of the external cavity was modeled by a set of boundary conditions expressed by an N-by-N frequency-dependent matrix relation between incident and reflected fields at the interface with the external cavity. The coupled mode theory can be adapted to various types of gain media and internal and external cavity designs.

Strong coupling of a single electron in silicon to a microwave photon.

PubMed

Mi, X; Cady, J V; Zajac, D M; Deelman, P W; Petta, J R

2017-01-13

Silicon is vital to the computing industry because of the high quality of its native oxide and well-established doping technologies. Isotopic purification has enabled quantum coherence times on the order of seconds, thereby placing silicon at the forefront of efforts to create a solid-state quantum processor. We demonstrate strong coupling of a single electron in a silicon double quantum dot to the photonic field of a microwave cavity, as shown by the observation of vacuum Rabi splitting. Strong coupling of a quantum dot electron to a cavity photon would allow for long-range qubit coupling and the long-range entanglement of electrons in semiconductor quantum dots. Copyright © 2017, American Association for the Advancement of Science.

Piezoelectric coupling factor calculations for plates of langatate driven in simple thickness modes by lateral-field-excitation.

PubMed

Khan, Ajmal; Ballato, Arthur

2002-07-01

Piezoelectric coupling factors for langatate (La3Ga5.5Ta0.5O14) single-crystals driven by lateral-field-excitation have been calculated using the extended Christoffel-Bechmann method. Calculations were made using published materials constants. The results are presented in terms of the lateral piezoelectric coupling factor as functions of in-plane (azimuthal) rotation angle for the three simple thickness vibration modes of some non-rotated, singly-rotated, and doubly-rotated orientations. It is shown that lateral-field-excitation offers the potential to eliminate unwanted vibration modes and to achieve considerably greater piezoelectric coupling versus thickness-field-excitation for the rotated cuts considered and for a doubly-rotated cut that is of potential technological interest.

Effect of proton transfer on the electronic coupling in DNA

NASA Astrophysics Data System (ADS)

Rak, Janusz; Makowska, Joanna; Voityuk, Alexander A.

2006-06-01

The effects of single and double proton transfer within Watson-Crick base pairs on donor-acceptor electronic couplings, Vda, in DNA are studied on the bases of quantum chemical calculations. Four dimers [AT,AT], [GC,GC], [GC,AT] and [GC,TA)] are considered. Three techniques - the generalized Mulliken-Hush scheme, the fragment charge method and the diabatic states method - are employed to estimate Vda for hole transfer between base pairs. We show that both single- and double proton transfer (PT) reactions may substantially affect the electronic coupling in DNA. The electronic coupling in [AT,AT] is predicted to be most sensitive to PT. Single PT within the first base pair in the dimer leads to increase in the hole transfer efficiency by a factor of 4, while proton transfer within the second pair should substantially, by 2.7 times, decrease the rate of charge transfer. Thus, directional asymmetry of the PT effects on the electronic coupling is predicted. The changes in the Vda matrix elements correlate with the topological properties of orbitals of donor and acceptor and can be qualitatively rationalized in terms of resonance structures of donor and acceptor. Atomic pair contributions to the Vda matrix elements are also analyzed.

Visible high power fiber coupled diode lasers

NASA Astrophysics Data System (ADS)

Köhler, Bernd; Drovs, Simon; Stoiber, Michael; Dürsch, Sascha; Kissel, Heiko; Könning, Tobias; Biesenbach, Jens; König, Harald; Lell, Alfred; Stojetz, Bernhard; Löffler, Andreas; Strauß, Uwe

2018-02-01

In this paper we report on further development of fiber coupled high-power diode lasers in the visible spectral range. New visible laser modules presented in this paper include the use of multi single emitter arrays @ 450 nm leading to a 120 W fiber coupled unit with a beam quality of 44 mm x mrad, as well as very compact modules with multi-W output power from 405 nm to 640 nm. However, as these lasers are based on single emitters, power scaling quickly leads to bulky laser units with a lot of optical components to be aligned. We also report on a new approach based on 450 nm diode laser bars, which dramatically reduces size and alignment effort. These activities were performed within the German government-funded project "BlauLas": a maximum output power of 80 W per bar has been demonstrated @ 450 nm. We show results of a 200 μm NA0.22 fiber coupled 35 W source @ 450 nm, which has been reduced in size by a factor of 25 compared to standard single emitter approach. In addition, we will present a 200 μm NA0.22 fiber coupled laser unit with an output power of 135 W.

Apparatus for recording emissions from a rapidly generated plasma from a single plasma producing event

DOEpatents

Tan, Tai Ho; Williams, Arthur H.

1985-01-01

An optical fiber-coupled detector visible streak camera plasma diagnostic apparatus. Arrays of optical fiber-coupled detectors are placed on the film plane of several types of particle, x-ray and visible spectrometers or directly in the path of the emissions to be measured and the output is imaged by a visible streak camera. Time and spatial dependence of the emission from plasmas generated from a single pulse of electromagnetic radiation or from a single particle beam burst can be recorded.

Apparatus for recording emissions from a rapidly generated plasma from a single plasma producing event

DOEpatents

Tan, T.H.; Williams, A.H.

An optical fiber-coupled detector visible streak camera plasma diagnostic apparatus. Arrays of optical fiber-coupled detectors are placed on the film plane of several types of particle, x-ray and visible spectrometers or directly in the path of the emissions to be measured and the output is imaged by a visible streak camera. Time and spatial dependence of the emission from plasma generated from a single pulse of electromagnetic radiation or from a single particle beam burst can be recorded.

Molecular electronics with single molecules in solid-state devices.

PubMed

Moth-Poulsen, Kasper; Bjørnholm, Thomas

2009-09-01

The ultimate aim of molecular electronics is to understand and master single-molecule devices. Based on the latest results on electron transport in single molecules in solid-state devices, we focus here on new insights into the influence of metal electrodes on the energy spectrum of the molecule, and on how the electron transport properties of the molecule depend on the strength of the electronic coupling between it and the electrodes. A variety of phenomena are observed depending on whether this coupling is weak, intermediate or strong.

Multilaboratory Validation of First Action Method 2016.04 for Determination of Four Arsenic Species in Fruit Juice by High-Performance Liquid Chromatography-Inductively Coupled Plasma-Mass Spectrometry.

PubMed

Kubachka, Kevin; Heitkemper, Douglas T; Conklin, Sean

2017-07-01

Before being designated AOAC First Action Official MethodSM 2016.04, the U.S. Food and Drug Administration's method, EAM 4.10 High Performance Liquid Chromatography-Inductively Coupled Plasma-Mass Spectrometric Determination of Four Arsenic Species in Fruit Juice, underwent both a single-laboratory validation and a multilaboratory validation (MLV) study. Three federal and five state regulatory laboratories participated in the MLV study, which is the primary focus of this manuscript. The method was validated for inorganic arsenic (iAs) measured as the sum of the two iAs species arsenite [As(III)] and arsenate [As(V)], dimethylarsinic acid (DMA), and monomethylarsonic acid (MMA) by analyses of 13 juice samples, including three apple juice, three apple juice concentrate, four grape juice, and three pear juice samples. In addition, two water Standard Reference Materials (SRMs) were analyzed. The method LODs and LOQs obtained among the eight laboratories were approximately 0.3 and 2 ng/g, respectively, for each of the analytes and were adequate for the intended purpose of the method. Each laboratory analyzed method blanks, fortified method blanks, reference materials, triplicate portions of each juice sample, and duplicate fortified juice samples (one for each matrix type) at three fortification levels. In general, repeatability and reproducibility of the method was ≤15% RSD for each species present at a concentration >LOQ. The average recovery of fortified analytes for all laboratories ranged from 98 to 104% iAs, DMA, and MMA for all four juice sample matrixes. The average iAs results for SRMs 1640a and 1643e agreed within the range of 96-98% of certified values for total arsenic.

Speciation Analysis of Arsenic by Selective Hydride Generation-Cryotrapping-Atomic Fluorescence Spectrometry with Flame-in-Gas-Shield Atomizer: Achieving Extremely Low Detection Limits with Inexpensive Instrumentation

PubMed Central

2015-01-01

This work describes the method of a selective hydride generation-cryotrapping (HG-CT) coupled to an extremely sensitive but simple in-house assembled and designed atomic fluorescence spectrometry (AFS) instrument for determination of toxicologically important As species. Here, an advanced flame-in-gas-shield atomizer (FIGS) was interfaced to HG-CT and its performance was compared to a standard miniature diffusion flame (MDF) atomizer. A significant improvement both in sensitivity and baseline noise was found that was reflected in improved (4 times) limits of detection (LODs). The yielded LODs with the FIGS atomizer were 0.44, 0.74, 0.15, 0.17 and 0.67 ng L–1 for arsenite, total inorganic, mono-, dimethylated As and trimethylarsine oxide, respectively. Moreover, the sensitivities with FIGS and MDF were equal for all As species, allowing for the possibility of single species standardization with arsenate standard for accurate quantification of all other As species. The accuracy of HG-CT-AFS with FIGS was verified by speciation analysis in two samples of bottled drinking water and certified reference materials, NRC CASS-5 (nearshore seawater) and SLRS-5 (river water) that contain traces of methylated As species. As speciation was in agreement with results previously reported and sums of all quantified species corresponded with the certified total As. The feasibility of HG-CT-AFS with FIGS was also demonstrated by the speciation analysis in microsamples of exfoliated bladder epithelial cells isolated from human urine. The results for the sums of trivalent and pentavalent As species corresponded well with the reference results obtained by HG-CT-ICPMS (inductively coupled plasma mass spectrometry). PMID:25300934

Speciation analysis of arsenic by selective hydride generation-cryotrapping-atomic fluorescence spectrometry with flame-in-gas-shield atomizer: achieving extremely low detection limits with inexpensive instrumentation.

PubMed

Musil, Stanislav; Matoušek, Tomáš; Currier, Jenna M; Stýblo, Miroslav; Dědina, Jiří

2014-10-21

This work describes the method of a selective hydride generation-cryotrapping (HG-CT) coupled to an extremely sensitive but simple in-house assembled and designed atomic fluorescence spectrometry (AFS) instrument for determination of toxicologically important As species. Here, an advanced flame-in-gas-shield atomizer (FIGS) was interfaced to HG-CT and its performance was compared to a standard miniature diffusion flame (MDF) atomizer. A significant improvement both in sensitivity and baseline noise was found that was reflected in improved (4 times) limits of detection (LODs). The yielded LODs with the FIGS atomizer were 0.44, 0.74, 0.15, 0.17 and 0.67 ng L(-1) for arsenite, total inorganic, mono-, dimethylated As and trimethylarsine oxide, respectively. Moreover, the sensitivities with FIGS and MDF were equal for all As species, allowing for the possibility of single species standardization with arsenate standard for accurate quantification of all other As species. The accuracy of HG-CT-AFS with FIGS was verified by speciation analysis in two samples of bottled drinking water and certified reference materials, NRC CASS-5 (nearshore seawater) and SLRS-5 (river water) that contain traces of methylated As species. As speciation was in agreement with results previously reported and sums of all quantified species corresponded with the certified total As. The feasibility of HG-CT-AFS with FIGS was also demonstrated by the speciation analysis in microsamples of exfoliated bladder epithelial cells isolated from human urine. The results for the sums of trivalent and pentavalent As species corresponded well with the reference results obtained by HG-CT-ICPMS (inductively coupled plasma mass spectrometry).

An approach for coupled-code multiphysics core simulations from a common input

DOE PAGES

Schmidt, Rodney; Belcourt, Kenneth; Hooper, Russell; ...

2014-12-10

This study describes an approach for coupled-code multiphysics reactor core simulations that is being developed by the Virtual Environment for Reactor Applications (VERA) project in the Consortium for Advanced Simulation of Light-Water Reactors (CASL). In this approach a user creates a single problem description, called the “VERAIn” common input file, to define and setup the desired coupled-code reactor core simulation. A preprocessing step accepts the VERAIn file and generates a set of fully consistent input files for the different physics codes being coupled. The problem is then solved using a single-executable coupled-code simulation tool applicable to the problem, which ismore » built using VERA infrastructure software tools and the set of physics codes required for the problem of interest. The approach is demonstrated by performing an eigenvalue and power distribution calculation of a typical three-dimensional 17 × 17 assembly with thermal–hydraulic and fuel temperature feedback. All neutronics aspects of the problem (cross-section calculation, neutron transport, power release) are solved using the Insilico code suite and are fully coupled to a thermal–hydraulic analysis calculated by the Cobra-TF (CTF) code. The single-executable coupled-code (Insilico-CTF) simulation tool is created using several VERA tools, including LIME (Lightweight Integrating Multiphysics Environment for coupling codes), DTK (Data Transfer Kit), Trilinos, and TriBITS. Parallel calculations are performed on the Titan supercomputer at Oak Ridge National Laboratory using 1156 cores, and a synopsis of the solution results and code performance is presented. Finally, ongoing development of this approach is also briefly described.« less

Measuring the childbearing motivation of couples referred to the Shiraz Health Center for premarital examinations.

PubMed

Pezeshki, Mohammad Z; Zeighami, Bahram; Miller, Warren B

2005-01-01

Millions of children who were born during the first decade after the Islamic revolution in Iran are now reaching the age of marriage and childbearing. Short spacing between marriage and the birth of the first child has the potential to cause an excessive and costly increase in the growth of population in Iran. Research into the motivations for the birth of first child among newly married couples can create a knowledge base that will enable health centres to help these couples make better decisions about the timing of their first pregnancy. Using a consecutive sampling technique and administering Miller's Childbearing Questionnaire, data were gathered regarding the childbearing motivations and desires of 300 couples who had been referred to the Shiraz Health Center for premarital counselling. The Childbearing Questionnaire, with some minor modifications, was found to be a valid and reliable instrument for measuring the childbearing motivations of newly married couples of Shiraz County, Fars Province, Iran. The utility of these findings for counselling in health centres is discussed. Based on the results, a longitudinal study is being designed that will allow the development of models for predicting the time of first pregnancy after marriage.

A fiber-coupled displacement measuring interferometer for determination of the posture of a reflective surface

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

Mao, Shuai; Hu, Peng-Cheng, E-mail: hupc@hit.edu.cn; Ding, Xue-Mei, E-mail: X.M.Ding@outlook.com

A fiber-coupled displacement measuring interferometer capable of determining of the posture of a reflective surface of a measuring mirror is proposed. The newly constructed instrument combines fiber-coupled displacement and angular measurement technologies. The proposed interferometer has advantages of both the fiber-coupled and the spatially beam-separated interferometer. A portable dual-position sensitive detector (PSD)-based unit within this proposed interferometer measures the parallelism of the two source beams to guide the fiber-coupling adjustment. The portable dual PSD-based unit measures not only the pitch and yaw of the retro-reflector but also measures the posture of the reflective surface. The experimental results of displacement calibrationmore » show that the deviations between the proposed interferometer and a reference one, Agilent 5530, at two different common beam directions are both less than ±35 nm, thus verifying the effectiveness of the beam parallelism measurement. The experimental results of angular calibration show that deviations of pitch and yaw with the auto-collimator (as a reference) are less than ±2 arc sec, thus proving the proposed interferometer’s effectiveness for determination of the posture of a reflective surface.« less

Toward efficient fiber-based quantum interface (Conference Presentation)

NASA Astrophysics Data System (ADS)

Soshenko, Vladimir; Vorobyov, Vadim V.; Bolshedvorsky, Stepan; Lebedev, Nikolay; Akimov, Alexey V.; Sorokin, Vadim; Smolyaninov, Andrey

2016-04-01

NV center in diamond is attracting a lot of attention in quantum information processing community [1]. Been spin system in clean and well-controlled environment of diamond it shows outstanding performance as quantum memory even at room temperature, spin control with single shot optical readout and possibility to build up quantum registers even on single NV center. Moreover, NV centers could be used as high-resolution sensitive elements of detectors of magnetic or electric field, temperature, tension, force or rotation. For all of these applications collection of the light emitted by NV center is crucial point. There were number of approaches suggested to address this issue, proposing use of surface plasmoms [2], manufacturing structures in diamond [3] etc. One of the key feature of any practically important interface is compatibility with the fiber technology. Several groups attacking this problem using various approaches. One of them is placing of nanodiamonds in the holes of photonic crystal fiber [4], another is utilization of AFM to pick and place nanodiamond on the tapered fiber[5]. We have developed a novel technique of placing a nanodiamond with single NV center on the tapered fiber by controlled transfer of a nanodiamond from one "donor" tapered fiber to the "target" clean tapered fiber. We verify our ability to transfer only single color centers by means of measurement of second order correlation function. With this technique, we were able to double collection efficiency of confocal microscope. The majority of the factors limiting the collection of photons via optical fiber are technical and may be removed allowing order of magnitude improved in collection. We also discuss number of extensions of this technique to all fiber excitation and integration with nanostructures. References: [1] Marcus W. Doherty, Neil B. Manson, Paul Delaney, Fedor Jelezko, Jörg Wrachtrup, Lloyd C.L. Hollenberg , " The nitrogen-vacancy colour centre in diamond," Physics Reports, vol. 528, no. 1, p. 1-45, 2013. [2] A.V. Akimov, A. Mukherjee, C.L. Yu, D.E. Chang, A.S. Zibrov, P.R. Hemmer, H. Park and M.D. Lukin, "Generation of single optical plasmons in metallic nanowires coupled to quantum dots," Nature, vol. 450, p. 402-406, 2007. [3] Michael J. Burek , Yiwen Chu, Madelaine S.Z. Liddy, Parth Patel, Jake Rochman , Srujan Meesala, Wooyoung Hong, Qimin Quan, Mikhail D. Lukin and Marko Loncar High quality-factor optical nanocavities in bulk single-crystal diamond, Nature communications 6718 (2014) [4] Tim Schroder, Andreas W. Schell, Gunter Kewes, Thomas Aichele, and Oliver Benson Fiber-Integrated Diamond-Based Single Photon Source, Nano Lett. 2011, 11, 198-202 [5]Lars Liebermeister, et. al. "Tapered fiber coupling of single photons emitted by a deterministically positioned single nitrogen vacancy center", Appl. Phys. Lett. 104, 031101 (2014)

Relaxor-based ferroelectric single crystals: growth, domain engineering, characterization and applications

PubMed Central

Sun, Enwei; Cao, Wenwu

2014-01-01

In the past decade, domain engineered relaxor-PT ferroelectric single crystals, including (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 (PMN-PT), (1-x)Pb(Zn1/3Nb2/3)O3-xPbTiO3 (PZN-PT) and (1-x-y)Pb(In1/2Nb1/2)O3-yPb(Mg1/3Nb2/3)O3-xPbTiO3 (PIN-PMN-PT), with compositions near the morphotropic phase boundary (MPB) have triggered a revolution in electromechanical devices owing to their giant piezoelectric properties and ultra-high electromechanical coupling factors. Compared to traditional PbZr1-xTixO3 (PZT) ceramics, the piezoelectric coefficient d33 is increased by a factor of 5 and the electromechanical coupling factor k33 is increased from < 70% to > 90%. Many emerging rich physical phenomena, such as charged domain walls, multi-phase coexistence, domain pattern symmetries, etc., have posed challenging fundamental questions for scientists. The superior electromechanical properties of these domain engineered single crystals have prompted the design of a new generation electromechanical devices, including sensors, transducers, actuators and other electromechanical devices, with greatly improved performance. It took less than 7 years from the discovery of larger size PMN-PT single crystals to the commercial production of the high-end ultrasonic imaging probe “PureWave”. The speed of development is unprecedented, and the research collaboration between academia and industrial engineers on this topic is truly intriguing. It is also exciting to see that these relaxor-PT single crystals are being used to replace traditional PZT piezoceramics in many new fields outside of medical imaging. The new ternary PIN-PMN-PT single crystals, particularly the ones with Mn-doping, have laid a solid foundation for innovations in high power acoustic projectors and ultrasonic motors, hinting another revolution in underwater SONARs and miniature actuation devices. This article intends to provide a comprehensive review on the development of relaxor-PT single crystals, spanning material discovery, crystal growth techniques, domain engineering concept, and full-matrix property characterization all the way to device innovations. It outlines a truly encouraging story in materials science in the modern era. All key references are provided and 30 complete sets of material parameters for different types of relaxor-PT single crystals are listed in the Appendix. It is the intension of this review article to serve as a resource for those who are interested in basic research and practical applications of these relaxor-PT single crystals. In addition, possible mechanisms of giant piezoelectric properties in these domain-engineered relaxor-PT systems will be discussed based on contributions from polarization rotation and charged domain walls. PMID:25061239

Relaxor-based ferroelectric single crystals: growth, domain engineering, characterization and applications.

PubMed

Sun, Enwei; Cao, Wenwu

2014-08-01

In the past decade, domain engineered relaxor-PT ferroelectric single crystals, including (1- x )Pb(Mg 1/3 Nb 2/3 )O 3 - x PbTiO 3 (PMN-PT), (1- x )Pb(Zn 1/3 Nb 2/3 )O 3 - x PbTiO 3 (PZN-PT) and (1- x - y )Pb(In 1/2 Nb 1/2 )O 3 - y Pb(Mg 1/3 Nb 2/3 )O 3 - x PbTiO 3 (PIN-PMN-PT), with compositions near the morphotropic phase boundary (MPB) have triggered a revolution in electromechanical devices owing to their giant piezoelectric properties and ultra-high electromechanical coupling factors. Compared to traditional PbZr 1- x Ti x O 3 (PZT) ceramics, the piezoelectric coefficient d 33 is increased by a factor of 5 and the electromechanical coupling factor k 33 is increased from < 70% to > 90%. Many emerging rich physical phenomena, such as charged domain walls, multi-phase coexistence, domain pattern symmetries, etc., have posed challenging fundamental questions for scientists. The superior electromechanical properties of these domain engineered single crystals have prompted the design of a new generation electromechanical devices, including sensors, transducers, actuators and other electromechanical devices, with greatly improved performance. It took less than 7 years from the discovery of larger size PMN-PT single crystals to the commercial production of the high-end ultrasonic imaging probe "PureWave". The speed of development is unprecedented, and the research collaboration between academia and industrial engineers on this topic is truly intriguing. It is also exciting to see that these relaxor-PT single crystals are being used to replace traditional PZT piezoceramics in many new fields outside of medical imaging. The new ternary PIN-PMN-PT single crystals, particularly the ones with Mn-doping, have laid a solid foundation for innovations in high power acoustic projectors and ultrasonic motors, hinting another revolution in underwater SONARs and miniature actuation devices. This article intends to provide a comprehensive review on the development of relaxor-PT single crystals, spanning material discovery, crystal growth techniques, domain engineering concept, and full-matrix property characterization all the way to device innovations. It outlines a truly encouraging story in materials science in the modern era. All key references are provided and 30 complete sets of material parameters for different types of relaxor-PT single crystals are listed in the Appendix. It is the intension of this review article to serve as a resource for those who are interested in basic research and practical applications of these relaxor-PT single crystals. In addition, possible mechanisms of giant piezoelectric properties in these domain-engineered relaxor-PT systems will be discussed based on contributions from polarization rotation and charged domain walls.

New developments in electronic reference controls for frequency domain optical sensing

NASA Astrophysics Data System (ADS)

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

2009-05-01

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

Direct analysis of environmental and biological samples for total mercury with comparison of sequential atomic absorption and fluorescence measurements from a single combustion event

NASA Astrophysics Data System (ADS)

Cizdziel, James V.; Tolbert, Candice; Brown, Garry

2010-02-01

A Direct Mercury Analyzer (DMA) based on sample combustion, concentration of mercury by amalgamation with gold, and cold vapor atomic absorption spectrometry (CVAAS) was coupled to a mercury-specific cold vapor atomic fluorescence spectrometer (CVAFS). The purpose was to evaluate combustion-AFS, a technique which is not commercially available, for low-level analysis of mercury in environmental and biological samples. The experimental setup allowed for comparison of dual measurements of mercury (AAS followed by AFS) for a single combustion event. The AFS instrument control program was modified to properly time capture of mercury from the DMA, avoiding deleterious combustion products from reaching its gold traps. Calibration was carried out using both aqueous solutions and solid reference materials. The absolute detection limits for mercury were 0.002 ng for AFS and 0.016 ng for AAS. Recoveries for reference materials ranged from 89% to 111%, and the precision was generally found to be <10% relative standard deviation (RSD). The two methods produced similar results for samples of hair, finger nails, coal, soil, leaves and food stuffs. However, for samples with mercury near the AAS detection limit (e.g., filter paper spotted with whole blood and segments of tree rings) the signal was still quantifiable with AFS, demonstrating the lower detection limit and greater sensitivity of AFS. This study shows that combustion-AFS is feasible for the direct analysis of low levels of mercury in solid samples that would otherwise require time-consuming and contamination-prone digestion.

The detection of soft X-rays with charged coupled detectors

NASA Technical Reports Server (NTRS)

Burstein, P.; Davis, John M.

1989-01-01

The characteristics of an ideal soft X-ray imaging detector are enumerated. Of recent technical developments the CCD or charge coupled device goes furthest to meeting these requirements. Several properties of CCDs are described with reference to experimental work and their application to practical instruments is reviewed.

Quantum memory and gates using a Λ -type quantum emitter coupled to a chiral waveguide

NASA Astrophysics Data System (ADS)

Li, Tao; Miranowicz, Adam; Hu, Xuedong; Xia, Keyu; Nori, Franco

2018-06-01

By coupling a Λ -type quantum emitter to a chiral waveguide, in which the polarization of a photon is locked to its propagation direction, we propose a controllable photon-emitter interface for quantum networks. We show that this chiral system enables the swap gate and a hybrid-entangling gate between the emitter and a flying single photon. It also allows deterministic storage and retrieval of single-photon states with high fidelities and efficiencies. In short, this chirally coupled emitter-photon interface can be a critical building block toward a large-scale quantum network.

Agonist-specific coupling of a cloned Drosophila octopamine/tyramine receptor to multiple second messenger systems.

PubMed Central

Robb, S; Cheek, T R; Hannan, F L; Hall, L M; Midgley, J M; Evans, P D

1994-01-01

A cloned seven transmembrane-spanning Drosophila octopamine/tyramine receptor, permanently expressed in a Chinese hamster ovary cell line, both inhibits adenylate cyclase activity and leads to the elevation of intracellular Ca2+ levels by separate G-protein-coupled pathways. Agonists of this receptor (octopamine and tyramine), differing by only a single hydroxyl group in their side chain, may be capable of differentially coupling it to different second messenger systems. Thus, a single receptor may have a different pharmacological profile depending on which second messenger system is used to assay its efficacy. PMID:8137817

Strong coupling between a single nitrogen-vacancy spin and the rotational mode of diamonds levitating in an ion trap

NASA Astrophysics Data System (ADS)

Delord, T.; Nicolas, L.; Chassagneux, Y.; Hétet, G.

2017-12-01

A scheme for strong coupling between a single atomic spin and the rotational mode of levitating nanoparticles is proposed. The idea is based on spin readout of nitrogen-vacancy centers embedded in aspherical nanodiamonds levitating in an ion trap. We show that the asymmetry of the diamond induces a rotational confinement in the ion trap. Using a weak homogeneous magnetic field and a strong microwave driving we then demonstrate that the spin of the nitrogen-vacancy center can be strongly coupled to the rotational mode of the diamond.

Control of slow-to-fast light and single-to-double optomechanically induced transparency in a compound resonator system: A theoretical approach

NASA Astrophysics Data System (ADS)

Ziauddin; Rahman, Mujeeb ur; Ahmad, Iftikhar; Qamar, Sajid

2017-10-01

The transmission characteristics of probe light field is investigated theoretically in a compound system of two coupled resonators. The proposed system consisted of two high-Q Fabry-Perot resonators in which one of the resonators is optomechanical. Optomechanically induced transparency (OMIT), having relatively large window, is noticed via strong coupling between the two resonators. We investigate tunable switching from single to double OMIT by increasing amplitude of the pump field. We notice that, control of slow and fast light can be obtained via the coupling strength between the two resonators.

High performance static latches with complete single event upset immunity

DOEpatents

Corbett, Wayne T.; Weaver, Harry T.

1994-01-01

An asymmetric response latch providing immunity to single event upset without loss of speed. The latch has cross-coupled inverters having a hardened logic state and a soft state, wherein the logic state of the first inverter can only be changed when the voltage on the coupling node of that inverter is low and the logic state of the second inverter can only be changed when the coupling of that inverter is high. One of more of the asymmetric response latches may be configured into a memory cell having complete immunity, which protects information rather than logic states.

Anisotropic planar Heisenberg model of the quantum heterobimetallic zigzag chains with bridged ReIV-CuII magnetic complexes

NASA Astrophysics Data System (ADS)

Sobczak, P.; Barasiński, A.; Kamieniarz, G.; Drzewiński, A.

2011-12-01

An anisotropic quantum planar Heisenberg model is proposed and thoroughly analyzed within the numerical density-matrix renormalization group approach. The model takes into account the site-dependent alternating directions of the local coordination system for the ReIV ions and both the axial and the rhombic single-ion anisotropy terms. Thermodynamic properties of a simpler collinear model without the rhombic term and its Ising counterpart as well as some previous approximations for ReIV-ion-containing compounds are discussed to point out the importance of quantum effects and deficiencies of classical approaches. For the noncollinear model with the alternating uniaxial local z axis tilted by the angle θ from the global chain axis formed by copper ions, some symmetries for the single-crystal susceptibilities are found. In the strong-anisotropy limit some striking maxima in the corresponding single-crystal χT products are revealed and their relation to the experimental determination of the anisotropy parameters is emphasized. Some cases to which the collinear model for zigzag chains is fully applicable are indicated. Finally, fitting the reference experimental data for a powder sample of given chloro- and cyanobridged zigzag chains, the weaker magnetic coupling and the uniaxial single-ion anisotropy term parameters have been found. The corrected value of the ferromagnetic interaction parameter implies that for the cyanobridge compound the record of the highest superexchange through cyanide has not been beaten.

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields.

PubMed

Klinkusch, Stefan; Tremblay, Jean Christophe

2016-05-14

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

Remote beating of parallel or orthogonally polarized dual-wavelength optical carriers for 5G millimeter-wave radio-over-fiber link.

PubMed

Wang, Huai-Yung; Chi, Yu-Chieh; Lin, Gong-Ru

2016-08-08

A novel millimeter-wave radio over fiber (MMW-RoF) link at carrier frequency of 35-GHz is proposed with the use of remotely beating MMW generation from reference master and injected slave colorless laser diode (LD) carriers at orthogonally polarized dual-wavelength injection-locking. The slave colorless LD supports lasing one of the dual-wavelength master modes with orthogonal polarizations, which facilitates the single-mode direct modulation of the quadrature amplitude modulation (QAM) orthogonal frequency division multiplexing (OFDM) data. Such an injected single-carrier encoding and coupled dual-carrier transmission with orthogonal polarization effectively suppresses the cross-heterodyne mode-beating intensity noise, the nonlinear modulation (NLM) and four-wave mixing (FWM) sidemodes during injection locking and fiber transmission. In 25-km single-mode fiber (SMF) based wireline system, the dual-carrier under single-mode encoding provides baseband 24-Gbit/s 64-QAM OFDM transmission with an error vector magnitude (EVM) of 8.8%, a bit error rate (BER) of 3.7 × 10^-3, a power penalty of <1.5 dB. After remotely self-beating for wireless transmission, the beat MMW carrier at 35 GHz can deliver the passband 16-QAM OFDM at 4 Gbit/s to show corresponding EVM and BER of 15.5% and 1.4 × 10^-3, respectively, after 25-km SMF and 1.6-m free-space transmission.

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields

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

Klinkusch, Stefan; Tremblay, Jean Christophe

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electronmore » ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.« less

The performance of single and multi-collector ICP-MS instruments for fast and reliable 34S/32S isotope ratio measurements†

PubMed Central

Pröfrock, Daniel; Irrgeher, Johanna; Prohaska, Thomas

2016-01-01

The performance and validation characteristics of different single collector inductively coupled plasma mass spectrometers based on different technical principles (ICP-SFMS, ICP-QMS in reaction and collision modes, and ICP-MS/MS) were evaluated in comparison to the performance of MC ICP-MS for fast and reliable S isotope ratio measurements. The validation included the determination of LOD, BEC, measurement repeatability, within-lab reproducibility and deviation from certified values as well as a study on instrumental isotopic fractionation (IIF) and the calculation of the combined standard measurement uncertainty. Different approaches of correction for IIF applying external intra-elemental IIF correction (aka standard-sample bracketing) using certified S reference materials and internal inter-elemental IIF (aka internal standardization) correction using Si isotope ratios in MC ICP-MS are explained and compared. The resulting combined standard uncertainties of examined ICP-QMS systems were not better than 0.3–0.5% (uc,rel), which is in general insufficient to differentiate natural S isotope variations. Although the performance of the single collector ICP-SFMS is better (single measurement uc,rel = 0.08%), the measurement reproducibility (>0.2%) is the major limit of this system and leaves room for improvement. MC ICP-MS operated in the edge mass resolution mode, applying bracketing for correction of IIF, provided isotope ratio values with the highest quality (relative combined measurement uncertainty: 0.02%; deviation from the certified value: <0.002%). PMID:27812369

The performance of single and multi-collector ICP-MS instruments for fast and reliable 34S/32S isotope ratio measurements.

PubMed

Hanousek, Ondrej; Brunner, Marion; Pröfrock, Daniel; Irrgeher, Johanna; Prohaska, Thomas

2016-11-14

The performance and validation characteristics of different single collector inductively coupled plasma mass spectrometers based on different technical principles (ICP-SFMS, ICP-QMS in reaction and collision modes, and ICP-MS/MS) were evaluated in comparison to the performance of MC ICP-MS for fast and reliable S isotope ratio measurements. The validation included the determination of LOD, BEC, measurement repeatability, within-lab reproducibility and deviation from certified values as well as a study on instrumental isotopic fractionation (IIF) and the calculation of the combined standard measurement uncertainty. Different approaches of correction for IIF applying external intra-elemental IIF correction (aka standard-sample bracketing) using certified S reference materials and internal inter-elemental IIF (aka internal standardization) correction using Si isotope ratios in MC ICP-MS are explained and compared. The resulting combined standard uncertainties of examined ICP-QMS systems were not better than 0.3-0.5% ( u c,rel ), which is in general insufficient to differentiate natural S isotope variations. Although the performance of the single collector ICP-SFMS is better (single measurement u c,rel = 0.08%), the measurement reproducibility (>0.2%) is the major limit of this system and leaves room for improvement. MC ICP-MS operated in the edge mass resolution mode, applying bracketing for correction of IIF, provided isotope ratio values with the highest quality (relative combined measurement uncertainty: 0.02%; deviation from the certified value: <0.002%).

Perfect count: a novel approach for the single platform enumeration of absolute CD4+ T-lymphocytes.

PubMed

Storie, Ian; Sawle, Alex; Goodfellow, Karen; Whitby, Liam; Granger, Vivian; Ward, Rosalie Y; Peel, Janet; Smart, Theresa; Reilly, John T; Barnett, David

2004-01-01

The derivation of reliable CD4(+) T lymphocyte counts is vital for the monitoring of disease progression and therapeutic effectiveness in HIV(+) individuals. Flow cytometry has emerged as the method of choice for CD4(+) T lymphocyte enumeration, with single-platform technology, coupled with reference counting beads, fast becoming the "gold standard." However, although single-platform, bead-based, sample acquisition requires the ratio of beads to cells to remain unchanged, there is no available method, until recently, to monitor this. Perfect Count beads have been developed to address this issue and to incorporate two bead populations, with different densities, to allow the detection of inadequate mixing. Comparison of the relative proportions of both beads with the manufacture's defined limits enables an internal QC check during sample acquisition. In this study, we have compared CD4(+) T lymphocyte counts, obtained from 104 HIV(+) patients, using TruCount beads with MultiSet software (defined as the predicated method) and the new Perfect Count beads, incorporating an in house sequential gating strategy. We have demonstrated an excellent degree of correlation between the predicate method and the Perfect Count system (r(2) = 0.9955; Bland Altman bias +27 CD4(+) T lymphocytes/microl). The Perfect Count system is a robust method for performing single platform absolute counts and has the added advantage of having internal QC checks. Such an approach enables the operator to identify potential problems during sample preparation, acquisition and analysis. Copyright 2003 Wiley-Liss, Inc.

Application of laser ablation multicollector inductively coupled plasma mass spectrometry for the measurement of calcium and lead isotope ratios in packaging for discriminatory purposes.

PubMed

Santamaria-Fernandez, Rebeca; Wolff, Jean-Claude

2010-07-30

The potential of high-precision calcium and lead isotope ratio measurements using laser ablation coupled to multicollector inductively coupled plasma mass spectrometry (LA-MC-ICP-MS) to aid distinction between four genuine and five counterfeit pharmaceutical packaging samples and further classification of counterfeit packaging samples has been evaluated. We highlight the lack of reference materials for LA-MC-ICP-MS isotope ratio measurements in solids. In this case the problem is minimised by using National Institute of Standards and Technology Standard Reference Material (NIST SRM) 915a calcium carbonate (as solid pellets) and NIST SRM610 glass disc for sample bracketing external standardisation. In addition, a new reference material, NIST SRM915b calcium carbonate, has been characterised in-house for Ca isotope ratios and is used as a reference sample. Significant differences have been found between genuine and counterfeit samples; the method allows detection of counterfeits and aids further classification of packaging samples. Typical expanded uncertainties for measured-corrected Ca isotope ratio values ((43)Ca/(44)Ca and (42)Ca/(44)Ca) were found to be below 0.06% (k = 2, 95% confidence) and below 0.2% for measured-corrected Pb isotope ratios ((207)Pb/(206)Pb and (208)Pb/(206)Pb). This is the first time that Ca isotope ratios have been measured in packaging materials using LA coupled to a multicollector (MC)-ICP-MS instrument. The use of LA-MC-ICP-MS for direct measurement of Ca and Pb isotopic variations in cardboard/ink in packaging has definitive potential to aid counterfeit detection and classification. Copyright 2010 John Wiley & Sons, Ltd.

Strong coupling-like phenomenon in single metallic nanoparticle embedded in molecular J-aggregates

NASA Astrophysics Data System (ADS)

Feng, Xin; Wang, Chen; Ma, Hongjing; Chen, Yuanyuan; Duan, Gaoyan; Zhang, Pengfei; Song, Gang

2018-02-01

Strong coupling-like phenomenon between plasmonic cavities and emitters provides a new way to realize the quantum-like effect controlling at microscale/nanoscale. We investigate the strong coupling-like phenomenon in the structure of single metallic nanoparticle embedded in molecular J-aggregates by the classical simulation method and show that the size of the metallic nanoparticle and the oscillator strength of molecular J-aggregates impact the strong coupling-like phenomenon. The strong coupling-like phenomenon is induced by the interactions between two dipoles formed by the metallic nanoparticle and molecular J-aggregates or the interactions between the dipole generated from molecular J-aggregates and the quadrupole generated from the metallic nanoparticle. The strong coupling-like phenomenon appears evidently with the increase in oscillator strength of molecular J-aggregates. The detuning energy linearly decreases with the increase in radius of the metallic nanoparticle. Our structure has potential applications in quantum networks, quantum key distributions and so on.

Continuous transition between weak and ultrastrong coupling through exceptional points in carbon nanotube microcavity exciton-polaritons

NASA Astrophysics Data System (ADS)

Gao, Weilu; Li, Xinwei; Bamba, Motoaki; Kono, Junichiro

2018-06-01

Non-perturbative coupling of photons and excitons produces hybrid particles, exciton-polaritons, which have exhibited a variety of many-body phenomena in various microcavity systems. However, the vacuum Rabi splitting (VRS), which defines the strength of photon-exciton coupling, is usually a single constant for a given system. Here, we have developed a unique architecture in which excitons in an aligned single-chirality carbon nanotube film interact with cavity photons in polarization-dependent manners. The system reveals ultrastrong coupling (VRS up to 329 meV or a coupling-strength-to-transition-energy ratio of 13.3%) for polarization parallel to the nanotube axis, whereas VRS is absent for perpendicular polarization. Between these two extremes, VRS is continuously tunable through polarization rotation with exceptional points separating crossing and anticrossing. The points between exceptional points form equienergy arcs onto which the upper and lower polaritons coalesce. The demonstrated on-demand ultrastrong coupling provides ways to explore topological properties of polaritons and quantum technology applications.

Quantum optics. All-optical routing of single photons by a one-atom switch controlled by a single photon.

PubMed

Shomroni, Itay; Rosenblum, Serge; Lovsky, Yulia; Bechler, Orel; Guendelman, Gabriel; Dayan, Barak

2014-08-22

The prospect of quantum networks, in which quantum information is carried by single photons in photonic circuits, has long been the driving force behind the effort to achieve all-optical routing of single photons. We realized a single-photon-activated switch capable of routing a photon from any of its two inputs to any of its two outputs. Our device is based on a single atom coupled to a fiber-coupled, chip-based microresonator. A single reflected control photon toggles the switch from high reflection (R ~ 65%) to high transmission (T ~ 90%), with an average of ~1.5 control photons per switching event (~3, including linear losses). No additional control fields are required. The control and target photons are both in-fiber and practically identical, making this scheme compatible with scalable architectures for quantum information processing. Copyright © 2014, American Association for the Advancement of Science.

Rashba effect in single-layer antimony telluroiodide SbTeI

DOE PAGES

Zhuang, Houlong L.; Cooper, Valentino R.; Xu, Haixuan; ...

2015-09-04

Exploring spin-orbit coupling (SOC) in single-layer materials is important for potential spintronics applications. In this paper, using first-principles calculations, we show that single-layer antimony telluroiodide SbTeI behaves as a two-dimensional semiconductor exhibiting a G 0W 0 band gap of 1.82 eV. More importantly, we observe the Rashba spin splitting in the SOC band structure of single-layer SbTeI with a sizable Rashba coupling parameter of 1.39 eV Å, which is significantly larger than that of a number of two-dimensional systems including surfaces and interfaces. The low formation energy and real phonon modes of single-layer SbTeI imply that it is stable. Finally,more » our study suggests that single-layer SbTeI is a candidate single-layer material for applications in spintronics devices.« less

Single-longitudinal-mode, narrow bandwidth double-ring fiber laser stabilized by an efficiently taper-coupled high roundness microsphere resonator

NASA Astrophysics Data System (ADS)

Wan, Hongdan; Liu, Linqian; Ding, Zuoqin; Wang, Jie; Xiao, Yu; Zhang, Zuxing

2018-06-01

This paper proposes and demonstrates a single-longitudinal-mode, narrow bandwidth fiber laser, using an ultra-high roundness microsphere resonator (MSR) with a stabilized package as the single-longitudinal-mode selector inside a double-ring fiber cavity. By improving the heating technology and surface cleaning process, MSR with high Q factor are obtained. With the optimized coupling condition, light polarization state and fiber taper diameter, we achieve whispering gallery mode (WGM) spectra with a high extinction ratio of 23 dB, coupling efficiency of 99.5%, a 3 dB bandwidth of 1 pm and a side-mode-suppression-ratio of 14.5 dB. The proposed fiber laser produces single-longitudinal-mode laser output with a 20-dB frequency linewidth of about 340 kHz, a signal-to-background ratio of 54 dB and a high long-term stability without mode-hopping, which is potential for optical communication and sensing applications.

Time evolution of the one-dimensional Jaynes-Cummings-Hubbard Hamiltonian

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

Makin, M. I.; Hill, Charles D.; Greentree, Andrew D.

2009-10-15

The Jaynes-Cummings-Hubbard (JCH) system describes a network of single-mode photonic cavities connected via evanescent coupling. Each cavity contains a single two-level system which can be tuned in resonance with the cavity. Here, we explore the behavior of single excitations (where an excitation can be either photonic or atomic) in the linear JCH system, which describes a coupled cavity waveguide. We use direct, analytic diagonalization of the Hamiltonian to study cases where intercavity coupling is either uniform or varies parabolically along the chain. Both excitations located in a single cavity, as well as one excitation as a Gaussian pulse spread overmore » many cavities, are investigated as initial states. We predict unusual behavior of this system in the time domain, including slower than expected propagation of the excitation and also splitting of the excitation into two distinct pulses, which travel at distinct speeds. In certain limits, we show that the JCH system mimics two Heisenberg spin chains.« less

Laterally Coupled Quantum-Dot Distributed-Feedback Lasers

NASA Technical Reports Server (NTRS)

Qui, Yueming; Gogna, Pawan; Muller, Richard; Maker, paul; Wilson, Daniel; Stintz, Andreas; Lester, Luke

2003-01-01

InAs quantum-dot lasers that feature distributed feedback and lateral evanescent- wave coupling have been demonstrated in operation at a wavelength of 1.3 m. These lasers are prototypes of optical-communication oscillators that are required to be capable of stable single-frequency, single-spatial-mode operation. A laser of this type (see figure) includes an active layer that comprises multiple stacks of InAs quantum dots embedded within InGaAs quantum wells. Distributed feedback is provided by gratings formed on both sides of a ridge by electron lithography and reactive-ion etching on the surfaces of an AlGaAs/GaAs waveguide. The lateral evanescent-wave coupling between the gratings and the wave propagating in the waveguide is strong enough to ensure operation at a single frequency, and the waveguide is thick enough to sustain a stable single spatial mode. In tests, the lasers were found to emit continuous-wave radiation at temperatures up to about 90 C. Side modes were found to be suppressed by more than 30 dB.

Quantum memory and non-demolition measurement of single phonon state with nitrogen-vacancy centers ensemble.

PubMed

Wang, Rui-Xia; Cai, Kang; Yin, Zhang-Qi; Long, Gui-Lu

2017-11-27

In a diamond, the mechanical vibration-induced strain can lead to interaction between the mechanical mode and the nitrogen-vacancy (NV) centers. In this work, we propose to utilize the strain-induced coupling for the quantum non-demolition (QND) single phonon measurement and memory in a diamond. The single phonon in a diamond mechanical resonator can be perfectly absorbed and emitted by the NV centers ensemble (NVE) with adiabatically tuning the microwave driving. An optical laser drives the NVE to the excited states, which have much larger coupling strength to the mechanical mode. By adiabatically eliminating the excited states under large detuning limit, the effective coupling between the mechanical mode and the NVE can be used for QND measurement of the single phonon state. Under realistic experimental conditions, we numerically simulate the scheme. It is found that the fidelity of the absorbing and emitting process can reach a much high value. The overlap between the input and the output phonon shapes can reach 98.57%.

Tunable Fano Resonance and Plasmon-Exciton Coupling in Single Au Nanotriangles on Monolayer WS2 at Room Temperature.

PubMed

Wang, Mingsong; Krasnok, Alex; Zhang, Tianyi; Scarabelli, Leonardo; Liu, He; Wu, Zilong; Liz-Marzán, Luis M; Terrones, Mauricio; Alù, Andrea; Zheng, Yuebing

2018-05-01

Tunable Fano resonances and plasmon-exciton coupling are demonstrated at room temperature in hybrid systems consisting of single plasmonic nanoparticles deposited on top of the transition metal dichalcogenide monolayers. By using single Au nanotriangles (AuNTs) on monolayer WS 2 as model systems, Fano resonances are observed from the interference between a discrete exciton band of monolayer WS 2 and a broadband plasmonic mode of single AuNTs. The Fano lineshape depends on the exciton binding energy and the localized surface plasmon resonance strength, which can be tuned by the dielectric constant of surrounding solvents and AuNT size, respectively. Moreover, a transition from weak to strong plasmon-exciton coupling with Rabi splitting energies of 100-340 meV is observed by rationally changing the surrounding solvents. With their tunable plasmon-exciton interactions, the proposed WS 2 -AuNT hybrids can open new pathways to develop active nanophotonic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

System Simulation by Recursive Feedback: Coupling a Set of Stand-Alone Subsystem Simulations

NASA Technical Reports Server (NTRS)

Nixon, D. D.

2001-01-01

Conventional construction of digital dynamic system simulations often involves collecting differential equations that model each subsystem, arran g them to a standard form, and obtaining their numerical gin solution as a single coupled, total-system simultaneous set. Simulation by numerical coupling of independent stand-alone subsimulations is a fundamentally different approach that is attractive because, among other things, the architecture naturally facilitates high fidelity, broad scope, and discipline independence. Recursive feedback is defined and discussed as a candidate approach to multidiscipline dynamic system simulation by numerical coupling of self-contained, single-discipline subsystem simulations. A satellite motion example containing three subsystems (orbit dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Distributed and centralized implementations of coupling have been considered. Numerical results are evaluated by direct comparison with a standard total-system, simultaneous-solution approach.

RPA binds histone H3-H4 and functions in DNA replication-coupled nucleosome assembly.

PubMed

Liu, Shaofeng; Xu, Zhiyun; Leng, He; Zheng, Pu; Yang, Jiayi; Chen, Kaifu; Feng, Jianxun; Li, Qing

2017-01-27

DNA replication-coupled nucleosome assembly is essential to maintain genome integrity and retain epigenetic information. Multiple involved histone chaperones have been identified, but how nucleosome assembly is coupled to DNA replication remains elusive. Here we show that replication protein A (RPA), an essential replisome component that binds single-stranded DNA, has a role in replication-coupled nucleosome assembly. RPA directly binds free H3-H4. Assays using a synthetic sequence that mimics freshly unwound single-stranded DNA at replication fork showed that RPA promotes DNA-(H3-H4) complex formation immediately adjacent to double-stranded DNA. Further, an RPA mutant defective in H3-H4 binding exhibited attenuated nucleosome assembly on nascent chromatin. Thus, we propose that RPA functions as a platform for targeting histone deposition to replication fork, through which RPA couples nucleosome assembly with ongoing DNA replication. Copyright © 2017, American Association for the Advancement of Science.

Thermal radiation transfer calculations in combustion fields using the SLW model coupled with a modified reference approach

NASA Astrophysics Data System (ADS)

Darbandi, Masoud; Abrar, Bagher

2018-01-01

The spectral-line weighted-sum-of-gray-gases (SLW) model is considered as a modern global model, which can be used in predicting the thermal radiation heat transfer within the combustion fields. The past SLW model users have mostly employed the reference approach to calculate the local values of gray gases' absorption coefficient. This classical reference approach assumes that the absorption spectra of gases at different thermodynamic conditions are scalable with the absorption spectrum of gas at a reference thermodynamic state in the domain. However, this assumption cannot be reasonable in combustion fields, where the gas temperature is very different from the reference temperature. Consequently, the results of SLW model incorporated with the classical reference approach, say the classical SLW method, are highly sensitive to the reference temperature magnitude in non-isothermal combustion fields. To lessen this sensitivity, the current work combines the SLW model with a modified reference approach, which is a particular one among the eight possible reference approach forms reported recently by Solovjov, et al. [DOI: 10.1016/j.jqsrt.2017.01.034, 2017]. The combination is called "modified SLW method". This work shows that the modified reference approach can provide more accurate total emissivity calculation than the classical reference approach if it is coupled with the SLW method. This would be particularly helpful for more accurate calculation of radiation transfer in highly non-isothermal combustion fields. To approve this, we use both the classical and modified SLW methods and calculate the radiation transfer in such fields. It is shown that the modified SLW method can almost eliminate the sensitivity of achieved results to the chosen reference temperature in treating highly non-isothermal combustion fields.

The electronic structure of vanadium monochloride cation (VCl{sup +}): Tackling the complexities of transition metal species

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

DeYonker, Nathan J., E-mail: ndyonker@memphis.edu; Halfen, DeWayne T.; Ziurys, Lucy M.

Six electronic states (X {sup 4}Σ{sup −}, A {sup 4}Π, B {sup 4}Δ, {sup 2}Φ, {sup 2}Δ, {sup 2}Σ{sup +}) of the vanadium monochloride cation (VCl{sup +}) are described using large basis set coupled cluster theory. For the two lowest quartet states (X {sup 4}Σ{sup −} and A {sup 4}Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T{sub 0}) and spectroscopic constants (r{sub e}, r{sub 0}, B{sub e}, B{sub 0}, D{sup ¯}{sub e}, H{sub e},more » ω{sub e}, v{sub 0}, α{sub e}, ω{sub e}x{sub e}) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X {sup 4}Σ{sup −}), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state ({sup 2}Γ) has a T{sub e} of ∼11 200 cm{sup −1}. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.« less

High-brightness 800nm fiber-coupled laser diodes

NASA Astrophysics Data System (ADS)

Berk, Yuri; Levy, Moshe; Rappaport, Noam; Tessler, Renana; Peleg, Ophir; Shamay, Moshe; Yanson, Dan; Klumel, Genadi; Dahan, Nir; Baskin, Ilya; Shkedi, Lior

2014-03-01

Fiber-coupled laser diodes have become essential sources for fiber laser pumping and direct energy applications. Single emitters offer reliable multi-watt output power from a 100 m lateral emission aperture. By their combination and fiber coupling, pump powers up to 100 W can be achieved from a low-NA fiber pigtail. Whilst in the 9xx nm spectral range the single emitter technology is very mature with <10W output per chip, at 800nm the reliable output power from a single emitter is limited to 4 W - 5 W. Consequently, commercially available fiber coupled modules only deliver 5W - 15W at around 800nm, almost an order of magnitude down from the 9xx range pumps. To bridge this gap, we report our advancement in the brightness and reliability of 800nm single emitters. By optimizing the wafer structure, laser cavity and facet passivation process we have demonstrated QCW device operation up to 19W limited by catastrophic optical damage to the 100 μm aperture. In CW operation, the devices reach 14 W output followed by a reversible thermal rollover and a complete device shutdown at high currents, with the performance fully rebounded after cooling. We also report the beam properties of our 800nm single emitters and provide a comparative analysis with the 9xx nm single emitter family. Pump modules integrating several of these emitters with a 105 μm / 0.15 NA delivery fiber reach 35W in CW at 808 nm. We discuss the key opto-mechanical parameters that will enable further brightness scaling of multi-emitter pump modules.

Quantification of causal couplings via dynamical effects: A unifying perspective

NASA Astrophysics Data System (ADS)

Smirnov, Dmitry A.

2014-12-01

Quantitative characterization of causal couplings from time series is crucial in studies of complex systems of different origin. Various statistical tools for that exist and new ones are still being developed with a tendency to creating a single, universal, model-free quantifier of coupling strength. However, a clear and generally applicable way of interpreting such universal characteristics is lacking. This work suggests a general conceptual framework for causal coupling quantification, which is based on state space models and extends the concepts of virtual interventions and dynamical causal effects. Namely, two basic kinds of interventions (state space and parametric) and effects (orbital or transient and stationary or limit) are introduced, giving four families of coupling characteristics. The framework provides a unifying view of apparently different well-established measures and allows us to introduce new characteristics, always with a definite "intervention-effect" interpretation. It is shown that diverse characteristics cannot be reduced to any single coupling strength quantifier and their interpretation is inevitably model based. The proposed set of dynamical causal effect measures quantifies different aspects of "how the coupling manifests itself in the dynamics," reformulating the very question about the "causal coupling strength."

On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data.

PubMed

Malbon, Christopher L; Zhu, Xiaolei; Guo, Hua; Yarkony, David R

2016-12-21

For two electronic states coupled by conical intersections, the line integral of the derivative coupling can be used to construct a complex-valued multiplicative phase factor that makes the real-valued adiabatic electronic wave function single-valued, provided that the curl of the derivative coupling is zero. Unfortunately for ab initio determined wave functions, the curl is never rigorously zero. However, when the wave functions are determined from a coupled two diabatic state Hamiltonian H d (fit to ab initio data), the resulting derivative couplings are by construction curl free, except at points of conical intersection. In this work we focus on a recently introduced diabatization scheme that produces the H d by fitting ab initio determined energies, energy gradients, and derivative couplings to the corresponding H d determined quantities in a least squares sense, producing a removable approximation to the ab initio determined derivative coupling. This approach and related numerical issues associated with the nonremovable ab initio derivative couplings are illustrated using a full 33-dimensional representation of phenol photodissociation. The use of this approach to provide a general framework for treating the molecular Aharonov Bohm effect is demonstrated.

Cell-cell bioelectrical interactions and local heterogeneities in genetic networks: a model for the stabilization of single-cell states and multicellular oscillations.

PubMed

Cervera, Javier; Manzanares, José A; Mafe, Salvador

2018-04-04

Genetic networks operate in the presence of local heterogeneities in single-cell transcription and translation rates. Bioelectrical networks and spatio-temporal maps of cell electric potentials can influence multicellular ensembles. Could cell-cell bioelectrical interactions mediated by intercellular gap junctions contribute to the stabilization of multicellular states against local genetic heterogeneities? We theoretically analyze this question on the basis of two well-established experimental facts: (i) the membrane potential is a reliable read-out of the single-cell electrical state and (ii) when the cells are coupled together, their individual cell potentials can be influenced by ensemble-averaged electrical potentials. We propose a minimal biophysical model for the coupling between genetic and bioelectrical networks that associates the local changes occurring in the transcription and translation rates of an ion channel protein with abnormally low (depolarized) cell potentials. We then analyze the conditions under which the depolarization of a small region (patch) in a multicellular ensemble can be reverted by its bioelectrical coupling with the (normally polarized) neighboring cells. We show also that the coupling between genetic and bioelectric networks of non-excitable cells, modulated by average electric potentials at the multicellular ensemble level, can produce oscillatory phenomena. The simulations show the importance of single-cell potentials characteristic of polarized and depolarized states, the relative sizes of the abnormally polarized patch and the rest of the normally polarized ensemble, and intercellular coupling.

C-C Coupling on Single-Atom-Based Heterogeneous Catalyst.

PubMed

Zhang, Xiaoyan; Sun, Zaicheng; Wang, Bin; Tang, Yu; Nguyen, Luan; Li, Yuting; Tao, Franklin Feng

2018-01-24

Compared to homogeneous catalysis, heterogeneous catalysis allows for ready separation of products from the catalyst and thus reuse of the catalyst. C-C coupling is typically performed on a molecular catalyst which is mixed with reactants in liquid phase during catalysis. This homogeneous mixing at a molecular level in the same phase makes separation of the molecular catalyst extremely challenging and costly. Here we demonstrated that a TiO 2 -based nanoparticle catalyst anchoring singly dispersed Pd atoms (Pd 1 /TiO 2 ) is selective and highly active for more than 10 Sonogashira C-C coupling reactions (R≡CH + R'X → R≡R'; X = Br, I; R' = aryl or vinyl). The coupling between iodobenzene and phenylacetylene on Pd 1 /TiO 2 exhibits a turnover rate of 51.0 diphenylacetylene molecules per anchored Pd atom per minute at 60 °C, with a low apparent activation barrier of 28.9 kJ/mol and no cost of catalyst separation. DFT calculations suggest that the single Pd atom bonded to surface lattice oxygen atoms of TiO 2 acts as a site to dissociatively chemisorb iodobenzene to generate an intermediate phenyl, which then couples with phenylacetylenyl bound to a surface oxygen atom. This coupling of phenyl adsorbed on Pd 1 and phenylacetylenyl bound to O ad of TiO 2 forms the product molecule, diphenylacetylene.

Photon pair source via two coupling single quantum emitters

NASA Astrophysics Data System (ADS)

Peng, Yong-Gang; Zheng, Yu-Jun

2015-10-01

We study the two coupling two-level single molecules driven by an external field as a photon pair source. The probability of emitting two photons, P2, is employed to describe the photon pair source quality in a short time, and the correlation coefficient RAB is employed to describe the photon pair source quality in a long time limit. The results demonstrate that the coupling single quantum emitters can be considered as a stable photon pair source. Project supported by the National Natural Science Foundation of China (Grand Nos. 91021009, 21073110, and 11374191), the Natural Science Foundation of Shandong Province, China (Grant No. ZR2013AQ020), the Postdoctoral Science Foundation of China (Grant No. 2013M531584), the Doctoral Program of Higher Education of China (Grant Nos. 20130131110005 and 20130131120006), and the Taishan Scholarship Project of Shandong Province, China.

Macroscopic Entangled State Generation with Optomechanical Coupling of Two Mechanical Modes

NASA Astrophysics Data System (ADS)

Weaver, Matthew; Luna, Fernando; Buters, Frank; Heeck, Kier; de Man, Sven; Bouwmeester, Dirk

Mechanical resonators with a large quantum position uncertainty are an excellent test system for proposed decoherence mechanisms in massive systems. We present a scheme to optomechanically entangle two mechanical resonators with large frequency separation via two tone driving and single photon projection measurements. The quantum position uncertainty can be tuned with a variable optical pulse displacement operation, and independent single photon readout of the two resonators provides robust verification of the quantum states of the system. This scheme is currently experimentally feasible in a number of high mass opto- and electro-mechanical systems. We demonstrate one such system with two spatially and frequency separated Si3N4 trampoline resonators. We also show how the resonators can be coupled with two tone driving and the single photon optomechanical coupling rates can be tuned.

Room temperature, single mode emission from two-section coupled cavity InGaAs/AlGaAs/GaAs quantum cascade laser

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

Pierściński, K., E-mail: kamil.pierscinski@ite.waw.pl; Pierścińska, D.; Pluska, M.

2015-10-07

Room temperature, single mode, pulsed emission from two-section coupled cavity InGaAs/AlGaAs/GaAs quantum cascade laser fabricated by focused ion beam processing is demonstrated and analyzed. The single mode emission is centered at 1059.4 cm{sup −1} (9.44 μm). A side mode suppression ratio of 43 dB was achieved. The laser exhibits a peak output power of 15 mW per facet at room temperature. The stable, single mode emission is observed within temperature tuning range, exhibiting shift at rate of 0.59 nm/K.

Effect of cow reference group on validation reliability of genomic evaluation.

PubMed

Koivula, M; Strandén, I; Aamand, G P; Mäntysaari, E A

2016-06-01

We studied the effect of including genomic data for cows in the reference population of single-step evaluations. Deregressed individual cow genetic evaluations (DRP) from milk production evaluations of Nordic Red Dairy cattle were used to estimate the single-step breeding values. Validation reliability and bias of the evaluations were calculated with four data sets including different amount of DRP record information from genotyped cows in the reference population. The gain in reliability was from 2% to 4% units for the production traits, depending on the used DRP data and the amount of genomic data. Moreover, inclusion of genotyped bull dams and their genotyped daughters seemed to create some bias in the single-step evaluation. Still, genotyping cows and their inclusion in the reference population is advantageous and should be encouraged.

Full wave modulator-demodulator amplifier apparatus. [for generating rectified output signal

NASA Technical Reports Server (NTRS)

Black, J. M. (Inventor)

1974-01-01

A full-wave modulator-demodulator apparatus is described including an operational amplifier having a first input terminal coupled to a circuit input terminal, and a second input terminal alternately coupled to the circuit input terminal. A circuit is ground by a switching circuit responsive to a phase reference signal and the operational amplifier is alternately switched between a non-inverting mode and an inverting mode. The switching circuit includes three field-effect transistors operatively associated to provide the desired switching function in response to an alternating reference signal of the same frequency as an AC input signal applied to the circuit input terminal.

Quality of Life, Coping Styles, Stress Levels, and Time Use in Mothers of Children with Autism Spectrum Disorders: Comparing Single versus Coupled Households

ERIC Educational Resources Information Center

McAuliffe, Tomomi; Cordier, Reinie; Vaz, Sharmila; Thomas, Yvonne; Falkmer, Torbjorn

2017-01-01

This study aimed to examine the influence of differences in household status on the parental stress, coping, time use and quality of life (QoL) among mothers of children with autism spectrum disorders. Forty-three single and 164 coupled mothers completed the survey. Data were analysed using multivariate logistic regression. We found that single…

Prevalence of Depression among Infertile Couples in Iran: A Meta-Analysis Study

PubMed Central

MASOUMI, Seyyedeh Zahra; POOROLAJAL, Jalal; KERAMAT, Afsaneh; MOOSAVI, Seyyed Abbas

2013-01-01

Background Several studies have been conducted in Iran in order to investigate the prevalence of depression among infertile couples. However, there is a remarkable diversity among the results. This meta-analysis was conducted to estimate an overall prevalence rate of depression among infertile couples in Iran. Methods: International and national electronic databases were searched up to June 2011 including MEDLINE, Science Citation Index Expanded, Scopus, SID, MagIran, and IranMedex as well as conference databases. Furthermore, reference lists of articles were screened and the studies’ authors were contacted for additional references. Cross-sectional studies addressing the prevalence of depression among infertile couples were included in this meta-analysis. We assessed 12 separate studies involving overall 2818 participants of which 1251 had depression. Results: Overall prevalence rate of depression among infertile couples was 0.47 (95% CI: 0.40, 0.55). The prevalence rate of depression was 0.44 (95% CI: 0.32, 0.56) during 2000 to 2005 and 0.50 (95% CI: 0.43, 0.57 during 2006 to 2011. The prevalence rate of depression was 0.46 (95% CI: 0.39, 0.53) among women and 0.47 (95% CI: 0.40, 0.54) among men. Conclusion: Not only the prevalence of depression in infertile couples was high but also had increasing growth in recent years. Furthermore, despite many studies conducted addressing the prevalence of depression in infertile couples, there is however a remarkable diversity between the results. Thus, one can hardly give a precise estimation of the prevalence rate of depression among infertile couples in Iran now. PMID:23802102

Fiber Grating Coupled Light Source Capable of Tunable, Single Frequency Operation

NASA Technical Reports Server (NTRS)

Krainak, Michael A. (Inventor); Duerksen, Gary L. (Inventor)

2001-01-01

Fiber Bragg grating coupled light sources can achieve tunable single-frequency (single axial and lateral spatial mode) operation by correcting for a quadratic phase variation in the lateral dimension using an aperture stop. The output of a quasi-monochromatic light source such as a Fabry Perot laser diode is astigmatic. As a consequence of the astigmatism, coupling geometries that accommodate the transverse numerical aperture of the laser are defocused in the lateral dimension, even for apsherical optics. The mismatch produces the quadratic phase variation in the feedback along the lateral axis at the facet of the laser that excites lateral modes of higher order than the TM(sub 00). Because the instability entails excitation of higher order lateral submodes, single frequency operation also is accomplished by using fiber Bragg gratings whose bandwidth is narrower than the submode spacing. This technique is particularly pertinent to the use of lensed fiber gratings in lieu of discrete coupling optics. Stable device operation requires overall phase match between the fed-back signal and the laser output. The fiber Bragg grating acts as a phase-preserving mirror when the Bragg condition is met precisely. The phase-match condition is maintained throughout the fiber tuning range by matching the Fabry-Perot axial mode wavelength to the passband center wavelength of the Bragg grating.

Coupling motion between rearfoot and hip and knee joints during walking and single-leg landing.

PubMed

Koshino, Yuta; Yamanaka, Masanori; Ezawa, Yuya; Okunuki, Takumi; Ishida, Tomoya; Samukawa, Mina; Tohyama, Harukazu

2017-12-01

The objective of the current study was to investigate the kinematic relationships between the rearfoot and hip/knee joint during walking and single-leg landing. Kinematics of the rearfoot relative to the shank, knee and hip joints during walking and single-leg landing were analyzed in 22 healthy university students. Kinematic relationships between two types of angular data were assessed by zero-lag cross-correlation coefficients and coupling angles, and were compared between joints and between tasks. During walking, rearfoot eversion/inversion and external/internal rotation were strongly correlated with hip adduction/abduction (R=0.69 and R=0.84), whereas correlations with knee kinematics were not strong (R≤0.51) and varied between subjects. The correlations with hip adduction/abduction were stronger than those with knee kinematics (P<0.001). Most coefficients during single-leg landing were strong (R≥0.70), and greater than those during walking (P<0.001). Coupling angles indicated that hip motion relative to rearfoot motion was greater than knee motion relative to rearfoot motion during both tasks (P<0.001). Interventions to control rearfoot kinematics may affect hip kinematics during dynamic tasks. The coupling motion between the rearfoot and hip/knee joints, especially in the knee, should be considered individually. Copyright © 2017 Elsevier Ltd. All rights reserved.

Phase inverter provides variable reference push-pull output

NASA Technical Reports Server (NTRS)

1966-01-01

Dual-transistor difference amplifier provides a push-pull output referenced to a dc potential which can be varied without affecting the signal levels. The amplifier is coupled with a feedback circuit which can vary the operating points of the transistors by equal amounts to provide the variable reference potentials.

Shunt regulation electric power system

NASA Technical Reports Server (NTRS)

Wright, W. H.; Bless, J. J. (Inventor)

1971-01-01

A regulated electric power system having load and return bus lines is described. A plurality of solar cells interconnected in a power supplying relationship and having a power shunt tap point electrically spaced from the bus lines is provided. A power dissipator is connected to the shunt tap point and provides for a controllable dissipation of excess energy supplied by the solar cells. A dissipation driver is coupled to the power dissipator and controls its conductance and dissipation and is also connected to the solar cells in a power taping relationship to derive operating power therefrom. An error signal generator is coupled to the load bus and to a reference signal generator to provide an error output signal which is representative of the difference between the electric parameters existing at the load bus and the reference signal generator. An error amplifier is coupled to the error signal generator and the dissipation driver to provide the driver with controlling signals.

Single and low order mode interrogation of a multimode sapphire fibre Bragg grating sensor with tapered fibres

NASA Astrophysics Data System (ADS)

Grobnic, D.; Mihailov, S. J.; Ding, H.; Bilodeau, F.; Smelser, C. W.

2006-05-01

Multimode sapphire fibre Bragg gratings (SFBG) made with an ultrafast Ti:sapphire 800 nm laser and a phase mask were probed using a tapered single mode fibre of different taper diameters to produce single and low order mode reflection/transmission responses. A configuration made of an input single mode tapered fibre and multimode silica fibre used for output coupling was also tested and has delivered a filtered multimode transmission spectrum. The tapered coupling improved the spectral resolution of the SFBG. Such improvements facilitate the utilization of the SFBG as a high temperature sensor. Wavelength shifts of the single mode response were monitored as a function of temperature up to 1500 °C with no detectable degradation in the grating strength or hysteresis in the Bragg resonance.

New concept single screw compressors and their manufacture technology

NASA Astrophysics Data System (ADS)

Feng, Q.; Liu, F.; Chang, L.; Feng, C.; Peng, C.; Xie, J.; van den Broek, M.

2017-08-01

Single screw compressors were generally acknowledged as one of the nearly perfect machines by compressor researchers and manufacturers. However the rapid wear of the star-wheel in a single screw compressor during operation is a key reason why it hasn’t previously joined the main current compressors’ market. After more than ten years of effective work, the authors of this paper have proposed a new concept single screw compressor whose mesh-couple profile is enveloped with multi-column. Also a new design method and manufacture equipment for this kind of compressor have been developed and are described in this paper. A lot of prototype tests and a long period of industrial operations under full loading conditions have shown that the mesh-couple profiles of the new concept single compressors have excellent anti-wearness.

The coupling of engines

NASA Technical Reports Server (NTRS)

Boccaccio, Paul

1921-01-01

This report examines the idea of coupling numerous engines together to turn a single propeller, which the author feels would free aircraft design from the problems of multi-engine and propeller design.

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

A theoretical and experimental benchmark study of core-excited states in nitrogen

NASA Astrophysics Data System (ADS)

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; Nandi, Saikat; Coriani, Sonia; Gühr, Markus; Koch, Henrik

2018-02-01

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. The computational results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.

Two-state semiconductor laser self-mixing velocimetry exploiting coupled quantum-dot emission-states: experiment, simulation and theory

PubMed Central

Gioannini, Mariangela; Dommermuth, Marius; Drzewietzki, Lukas; Krestnikov, Igor; Livshits, Daniil; Krakowski, Michel; Breuer, Stefan

2014-01-01

We exploit the coupled emission-states of a single-chip semiconductor InAs/GaAs quantum-dot laser emitting simultaneously on ground-state (λGS = 1245 nm) and excited-state (λES = 1175 nm) to demonstrate coupled-two-state self-mixing velocimetry for a moving diffuse reflector. A 13 Hz-narrow Doppler beat frequency signal at 317 Hz is obtained for a reflector velocity of 3 mm/s, which exemplifies a 66-fold improvement in width as compared to single-wavelength self-mixing velocimetry. Simulation results reveal the physical origin of this signal, the coupling of excited-state and ground-state photons via the carriers, which is unique for quantum-dot lasers and reproduce the experimental results with excellent agreement. PMID:25321809

Direct photonic coupling of a semiconductor quantum dot and a trapped ion.

PubMed

Meyer, H M; Stockill, R; Steiner, M; Le Gall, C; Matthiesen, C; Clarke, E; Ludwig, A; Reichel, J; Atatüre, M; Köhl, M

2015-03-27

Coupling individual quantum systems lies at the heart of building scalable quantum networks. Here, we report the first direct photonic coupling between a semiconductor quantum dot and a trapped ion and we demonstrate that single photons generated by a quantum dot controllably change the internal state of a Yb^{+} ion. We ameliorate the effect of the 60-fold mismatch of the radiative linewidths with coherent photon generation and a high-finesse fiber-based optical cavity enhancing the coupling between the single photon and the ion. The transfer of information presented here via the classical correlations between the σ_{z} projection of the quantum-dot spin and the internal state of the ion provides a promising step towards quantum-state transfer in a hybrid photonic network.

Vaginismus in Iran: A Single Center Report of 7 Years Experience.

PubMed

Akhavan-Taghavi, Mohammad Hossein; Asghari-Moghaddam, Mohammad Ali; Froutan, Seyed Kazem; Jadid-Milani, Maryam

2015-11-01

Vaginismus is a sexual disorder that can cause painful intercourse. Although several studies have shown a relationship between higher education and socio-economic level of women with vaginismus, the relationship between demographic characteristics and other variables remains unclear. The present study was conducted to determine the demographic characteristics of women with vaginismus, coming to family health clinic, between 2007 and 2013. This study is a cross-sectional study that was conducted on 115 clinical records, from early 2007 until the end of 2013, that have received a diagnosis of vaginismus. In these clinical records, the data on female and male age, education and employment, duration of marriage, type of marriage (traditional, virtual, etc.), being a virgin, erectile dysfunction of husband, information of families, sexual satisfaction, marital satisfaction, residential, non-medical types of medical treatment and hymenectomy were derived. The results showed that the average age of women was 29 ± 5 years and the average age of the spouses was 33 ± 6 years. Undergraduate education most prominent among women (52%) and spouses (42%). In terms of employment status, most women were housewives (54%) and the majority of male were employees (54%). The most frequent form of marriage was traditional (80%). The maximum elapsed time of marriage was between 1 - 3 years (43%). In most women, the first attempt for intercourse was from the second day of marriage to the end of the first week (73%). Hymenectomy was done by 9% of women. Totally, 45% of the men, the wives of whom were suffering from vaginismus, experienced erectile dysfunction. In 37% of couples, their sexual life was satisfactory. The most referred specialist for treatment was the urologist (17%). In 27% of women with vaginismus, numerous references to a variety of medical specialists and psychologists were also recorded. Of the total, 7% of couples experienced traditional and non-academic treatments. As vaginismus can affect the stability of marriage, it is necessary to assess sexual dysfunction from all directions, including demographic characteristics and variables that affect the incidence of vaginismus. Therefore, based on the data obtained, we can diagnose and properly treat sexual dysfunction, in time, and teach couples how to deal with it.

Duplex Wrench

NASA Technical Reports Server (NTRS)

Canada, C. N.

1987-01-01

Special tool enables one worker to do two-worker job. Wrench holds two nuts in place while third nut, coaxial with others, turned. Developed for tightening delicate couplings on gas-supply panel. Single operator restrains coupling pressure cap and connector body nut with one hand. Other hand free to tighten coupling nut with torque wrench.

The University-Academic Connection in Research: Corporate Purposes and Social Responsibilities.

ERIC Educational Resources Information Center

David, E. E., Jr.

An increase in industry-supported academic research is economically and socially desirable. This refers not to industrial philanthropy but to research consistent with a commercial "mission." This increased coupling is advocated because there is fine science and technique created in academia which is not effectively coupled to the nation's…

Emotion-Focused Therapy for Couples in the Treatment of Depression: A Pilot Study.

ERIC Educational Resources Information Center

Dessaulles, Andre; Johnson, Susan M.; Denton, Wayne H.

2003-01-01

Emotion-focused therapy (EFT) for couples was compared to pharmacotherapy in the treatment of major depressive disorder. Both interventions were equally effective in symptom reduction. Results suggest EFT might be useful in the treatment of comorbid major depressive disorder and relational distress. (Contains 34 references and 1 figure.) (GCP)

Methods of Analysis by the U.S. Geological Survey National Water Quality Laboratory - Determination of Elements in Whole-Water Digests Using Inductively Coupled Plasma-Optical Emission Spectrometry and Inductively Coupled Plasma-Mass Spectrometry

USGS Publications Warehouse

Garbarino, John R.; Struzeski, Tedmund M.

1998-01-01

Inductively coupled plasma-optical emission spectrometry (ICP-OES) and inductively coupled plasma-mass spectrometry (ICP-MS) can be used to determine 26 elements in whole-water digests. Both methods have distinct advantages and disadvantages--ICP-OES is capable of analyzing samples with higher elemental concentrations without dilution, however, ICP-MS is more sensitive and capable of determining much lower elemental concentrations. Both techniques gave accurate results for spike recoveries, digested standard reference-water samples, and whole-water digests. Average spike recoveries in whole-water digests were 100 plus/minus 10 percent, although recoveries for digests with high dissolved-solid concentrations were lower for selected elements by ICP-MS. Results for standard reference-water samples were generally within 1 standard deviation of hte most probable values. Statistical analysis of the results from 43 whole-water digest indicated that there was no significant difference among ICP-OES, ICP-MS, and former official methods of analysis for 24 of the 26 elements evaluated.

Multiplexed single-mode wavelength-to-time mapping of multimode light

PubMed Central

Chandrasekharan, Harikumar K; Izdebski, Frauke; Gris-Sánchez, Itandehui; Krstajić, Nikola; Walker, Richard; Bridle, Helen L.; Dalgarno, Paul A.; MacPherson, William N.; Henderson, Robert K.; Birks, Tim A.; Thomson, Robert R.

2017-01-01

When an optical pulse propagates along an optical fibre, different wavelengths travel at different group velocities. As a result, wavelength information is converted into arrival-time information, a process known as wavelength-to-time mapping. This phenomenon is most cleanly observed using a single-mode fibre transmission line, where spatial mode dispersion is not present, but the use of such fibres restricts possible applications. Here we demonstrate that photonic lanterns based on tapered single-mode multicore fibres provide an efficient way to couple multimode light to an array of single-photon avalanche detectors, each of which has its own time-to-digital converter for time-correlated single-photon counting. Exploiting this capability, we demonstrate the multiplexed single-mode wavelength-to-time mapping of multimode light using a multicore fibre photonic lantern with 121 single-mode cores, coupled to 121 detectors on a 32 × 32 detector array. This work paves the way to efficient multimode wavelength-to-time mapping systems with the spectral performance of single-mode systems. PMID:28120822

Strong Light-Matter Interactions in Single Open Plasmonic Nanocavities at the Quantum Optics Limit.

PubMed

Liu, Renming; Zhou, Zhang-Kai; Yu, Yi-Cong; Zhang, Tengwei; Wang, Hao; Liu, Guanghui; Wei, Yuming; Chen, Huanjun; Wang, Xue-Hua

2017-06-09

Reaching the quantum optics limit of strong light-matter interactions between a single exciton and a plasmon mode is highly desirable, because it opens up possibilities to explore room-temperature quantum devices operating at the single-photon level. However, two challenges severely hinder the realization of this limit: the integration of single-exciton emitters with plasmonic nanostructures and making the coupling strength at the single-exciton level overcome the large damping of the plasmon mode. Here, we demonstrate that these two hindrances can be overcome by attaching individual J aggregates to single cuboid Au@Ag nanorods. In such hybrid nanosystems, both the ultrasmall mode volume of ∼71  nm^{3} and the ultrashort interaction distance of less than 0.9 nm make the coupling coefficient between a single J-aggregate exciton and the cuboid nanorod as high as ∼41.6  meV, enabling strong light-matter interactions to be achieved at the quantum optics limit in single open plasmonic nanocavities.

Decoupling feedforward and feedback structures in hybrid active noise control systems for uncorrelated narrowband disturbances

NASA Astrophysics Data System (ADS)

Wu, Lifu; Qiu, Xiaojun; Burnett, Ian S.; Guo, Yecai

2015-08-01

Hybrid feedforward and feedback structures are useful for active noise control (ANC) applications where the noise can only be partially obtained with reference sensors. The traditional method uses the secondary signals of both the feedforward and feedback structures to synthesize a reference signal for the feedback structure in the hybrid structure. However, this approach introduces coupling between the feedforward and feedback structures and parameter changes in one structure affect the other during adaptation such that the feedforward and feedback structures must be optimized simultaneously in practical ANC system design. Two methods are investigated in this paper to remove such coupling effects. One is a simplified method, which uses the error signal directly as the reference signal in the feedback structure, and the second method generates the reference signal for the feedback structure by using only the secondary signal from the feedback structure and utilizes the generated reference signal as the error signal of the feedforward structure. Because the two decoupling methods can optimize the feedforward and feedback structures separately, they provide more flexibility in the design and optimization of the adaptive filters in practical ANC applications.