Science.gov

Sample records for 2nd order perturbation

  1. 1st- and 2nd-order motion and texture resolution in central and peripheral vision

    NASA Technical Reports Server (NTRS)

    Solomon, J. A.; Sperling, G.

    1995-01-01

    STIMULI. The 1st-order stimuli are moving sine gratings. The 2nd-order stimuli are fields of static visual texture, whose contrasts are modulated by moving sine gratings. Neither the spatial slant (orientation) nor the direction of motion of these 2nd-order (microbalanced) stimuli can be detected by a Fourier analysis; they are invisible to Reichardt and motion-energy detectors. METHOD. For these dynamic stimuli, when presented both centrally and in an annular window extending from 8 to 10 deg in eccentricity, we measured the highest spatial frequency for which discrimination between +/- 45 deg texture slants and discrimination between opposite directions of motion were each possible. RESULTS. For sufficiently low spatial frequencies, slant and direction can be discriminated in both central and peripheral vision, for both 1st- and for 2nd-order stimuli. For both 1st- and 2nd-order stimuli, at both retinal locations, slant discrimination is possible at higher spatial frequencies than direction discrimination. For both 1st- and 2nd-order stimuli, motion resolution decreases 2-3 times more rapidly with eccentricity than does texture resolution. CONCLUSIONS. (1) 1st- and 2nd-order motion scale similarly with eccentricity. (2) 1st- and 2nd-order texture scale similarly with eccentricity. (3) The central/peripheral resolution fall-off is 2-3 times greater for motion than for texture.

  2. 2nd-Order CESE Results For C1.4: Vortex Transport by Uniform Flow

    NASA Technical Reports Server (NTRS)

    Friedlander, David J.

    2015-01-01

    The Conservation Element and Solution Element (CESE) method was used as implemented in the NASA research code ez4d. The CESE method is a time accurate formulation with flux-conservation in both space and time. The method treats the discretized derivatives of space and time identically and while the 2nd-order accurate version was used, high-order versions exist, the 2nd-order accurate version was used. In regards to the ez4d code, it is an unstructured Navier-Stokes solver coded in C++ with serial and parallel versions available. As part of its architecture, ez4d has the capability to utilize multi-thread and Messaging Passage Interface (MPI) for parallel runs.

  3. Secular Motion in a 2nd Degree and Order-Gravity Field with no Rotation

    NASA Astrophysics Data System (ADS)

    Scheeres, D. J.; Hu, W.

    2001-03-01

    The motion of a particle about a non-rotating 2nd degree and order-gravity field is investigated. Averaging conditions are applied to the particle motion and a qualitative analysis which reveals the general character of motion in this system is given. It is shown that the orbit plane will either be stationary or precess about the body's axis of minimum or maximum moment of inertia. It is also shown that the secular equations for this system can be integrated in terms of trigonometric, hyperbolic or elliptic functions. The explicit solutions are derived in all cases of interest.

  4. A novel 2nd-order bandpass MFSS filter with miniaturized structure

    NASA Astrophysics Data System (ADS)

    Fang, C. Y.; Gao, J. S.; Feng, X. G.

    2015-08-01

    In order to effectively obtain a miniaturized structure and good filtering properties, we propose a novel 2nd-order bandpass metamaterial frequency selective surface (MFSS) filter which contains two capacitive layers and one inductive layer, where there are multi-loop metallic patches as shunt capacitor C and planar wire grids as series inductor L respectively. Unlike the traditional operation way—the tuned elements used in resonant surface approximately equal to one wavelength in circumference and the structure thickness with a spacing of a quarter wavelength apart, by changing the value of L and C and matching multilayer dielectric to adjust the LC coupling resonance and the resonance impedance respectively, the proposed MFSS filter can achieves a miniatured structure with ideal bandpass properties. Measurement results of the fabricated prototype of the bandpass filter (BPF) indicate that the dimension of the tuned element on resonant surface is approximately 0.025 wavelength, i.e., 0.025λ. At the same time, the filter has the stable center frequency of f0 = 1.53GHz and the transmittance of T ⩾ 96.3% and high Q-value for the TE/TM wave polarization at various incidence angles. The novel 2nd-order bandpass MFSS filter with miniaturized structure not only can decrease structure dimension, but also has a wide range of applications to microwave and infrared band.

  5. Computation of equivalent poles placement for class of 2nd order discrete bilinear systems

    NASA Astrophysics Data System (ADS)

    Gadek, Lukasz; Koszalka, Leszek; Burnham, Keith

    2015-11-01

    This paper introduces an adaptation of the classical linear control theory representation of zeros, poles and gain into a bilinear approach. The placement of poles at the complex plane is a complete description of plants dynamics; hence it is a convenient form from which calculation of various properties, e.g. rise time, settling time, is plausible. Such technique can be adjusted into the bilinear structure if poles of a quasi-linear representation (linear with respect to input) are concerned. The research outcomes with conclusion on the equivalent poles displacement and generalized rules for a 2nd order bilinear system equivalent poles input dependent loci. The proposed approach seems to be promising, as simplification of design and identification of a bilinear system increases transparency during modelling and control in practical applications and hence it may be followed by applicability of such structure in common industrial problems.

  6. Efficient Simulation of Wing Modal Response: Application of 2nd Order Shape Sensitivities and Neural Networks

    NASA Technical Reports Server (NTRS)

    Kapania, Rakesh K.; Liu, Youhua

    2000-01-01

    At the preliminary design stage of a wing structure, an efficient simulation, one needing little computation but yielding adequately accurate results for various response quantities, is essential in the search of optimal design in a vast design space. In the present paper, methods of using sensitivities up to 2nd order, and direct application of neural networks are explored. The example problem is how to decide the natural frequencies of a wing given the shape variables of the structure. It is shown that when sensitivities cannot be obtained analytically, the finite difference approach is usually more reliable than a semi-analytical approach provided an appropriate step size is used. The use of second order sensitivities is proved of being able to yield much better results than the case where only the first order sensitivities are used. When neural networks are trained to relate the wing natural frequencies to the shape variables, a negligible computation effort is needed to accurately determine the natural frequencies of a new design.

  7. Perturbative gadgets at arbitrary orders

    NASA Astrophysics Data System (ADS)

    Jordan, Stephen P.; Farhi, Edward

    2008-06-01

    Adiabatic quantum algorithms are often most easily formulated using many-body interactions. However, experimentally available interactions are generally two-body. In 2004, Kempe, Kitaev, and Regev introduced perturbative gadgets, by which arbitrary three-body effective interactions can be obtained using Hamiltonians consisting only of two-body interactions. These three-body effective interactions arise from the third order in perturbation theory. Since their introduction, perturbative gadgets have become a standard tool in the theory of quantum computation. Here we construct generalized gadgets so that one can directly obtain arbitrary k -body effective interactions from two-body Hamiltonians. These effective interactions arise from the k th order in perturbation theory.

  8. A convective divertor utilizing a 2nd-order magnetic field null

    NASA Astrophysics Data System (ADS)

    Rognlien, Thomas

    2014-10-01

    New results motivate a detailed study of a magnetic divertor concept characterized by strong plasma convection near a poloidal magnetic field (Bp) null region. The configuration is that of a near-2nd-order Bp null (Bp ~ Δ r2) , as in a snowflake divertor. The concept has 2 key features: (A) Convection spreads the heat flux between multiple divertor legs and further broadens the heat-flux profile within each leg, thereby greatly reducing target-plate heat loads. (B) The heat flux is further reduced by line radiation in each leg in detachment-like ionization zones. Theory indicates that convective turbulence arises when the poloidal plasma beta, βp = 2μ0nT/B p 2 >> 1 . Measurements in TCV now more fully quantify earlier NSTX and TCV observations of plasma mixing, and related modeling of TCV indicates that strongly enhanced null-region transport is present. Convective mixing provides a stabilizing mechanism to prevent the ionization fronts (hydrogenic and impurity) from collapsing to a highly radiating core MARFE. Also, the radiating zone maps to a very small region at the midplane owing to the very weak Bp in the convective region, thus minimizing its impact on the core plasma. Detailed calculations are reported that combine features A and B noted above. The plasma mixing mechanisms are described together with the corresponding transport model implemented in the 2D UEDGE edge transport code. UEDGE calculations are presented that quantify the roles of mixing, impurity radiation, and detachment stability for a realistic snowflake configuration. Work in collaboration with D.D. Ryutov, S.I. Krasheninnikov, and M.V. Umansky. Performed for the U.S. DoE by LLNS, LLC, LLNL, under Contract DE-AC52-07NA27344.

  9. Brain order disorder 2nd group report of f-EEG

    NASA Astrophysics Data System (ADS)

    Lalonde, Francois; Gogtay, Nitin; Giedd, Jay; Vydelingum, Nadarajen; Brown, David; Tran, Binh Q.; Hsu, Charles; Hsu, Ming-Kai; Cha, Jae; Jenkins, Jeffrey; Ma, Lien; Willey, Jefferson; Wu, Jerry; Oh, Kenneth; Landa, Joseph; Lin, C. T.; Jung, T. P.; Makeig, Scott; Morabito, Carlo Francesco; Moon, Qyu; Yamakawa, Takeshi; Lee, Soo-Young; Lee, Jong-Hwan; Szu, Harold H.; Kaur, Balvinder; Byrd, Kenneth; Dang, Karen; Krzywicki, Alan; Familoni, Babajide O.; Larson, Louis; Harkrider, Susan; Krapels, Keith A.; Dai, Liyi

    2014-05-01

    Since the Brain Order Disorder (BOD) group reported on a high density Electroencephalogram (EEG) to capture the neuronal information using EEG to wirelessly interface with a Smartphone [1,2], a larger BOD group has been assembled, including the Obama BRAIN program, CUA Brain Computer Interface Lab and the UCSD Swartz Computational Neuroscience Center. We can implement the pair-electrodes correlation functions in order to operate in a real time daily environment, which is of the computation complexity of O(N3) for N=102~3 known as functional f-EEG. The daily monitoring requires two areas of focus. Area #(1) to quantify the neuronal information flow under arbitrary daily stimuli-response sources. Approach to #1: (i) We have asserted that the sources contained in the EEG signals may be discovered by an unsupervised learning neural network called blind sources separation (BSS) of independent entropy components, based on the irreversible Boltzmann cellular thermodynamics(ΔS < 0), where the entropy is a degree of uniformity. What is the entropy? Loosely speaking, sand on the beach is more uniform at a higher entropy value than the rocks composing a mountain - the internal binding energy tells the paleontologists the existence of information. To a politician, landside voting results has only the winning information but more entropy, while a non-uniform voting distribution record has more information. For the human's effortless brain at constant temperature, we can solve the minimum of Helmholtz free energy (H = E - TS) by computing BSS, and then their pairwise-entropy source correlation function. (i) Although the entropy itself is not the information per se, but the concurrence of the entropy sources is the information flow as a functional-EEG, sketched in this 2nd BOD report. Area #(2) applying EEG bio-feedback will improve collective decision making (TBD). Approach to #2: We introduce a novel performance quality metrics, in terms of the throughput rate of faster (

  10. Hybrid distributed Raman amplification combining random fiber laser based 2nd-order and low-noise LD based 1st-order pumping.

    PubMed

    Jia, Xin-Hong; Rao, Yun-Jiang; Yuan, Cheng-Xu; Li, Jin; Yan, Xiao-Dong; Wang, Zi-Nan; Zhang, Wei-Li; Wu, Han; Zhu, Ye-Yu; Peng, Fei

    2013-10-21

    A configuration of hybrid distributed Raman amplification (H-DRA), that is formed by incorporating a random fiber laser (RFL) based 2nd-order pump and a low-noise laser-diode (LD) based 1st-order pump, is proposed in this paper. In comparison to conventional bi-directional 1st-order DRA, the effective noise figure (ENF) is found to be lower by amount of 0 to 4 dB due to the RFL-based 2nd-order pump, depending on the on-off gain, while the low-noise 1st-order Raman pump is used for compensating the worsened signal-to-noise ratio (SNR) in the vicinity towards the far end of the fiber and avoiding the potential nonlinear impact induced by excess injection of pump power and suppressing the pump-signal relative intensity noise (RIN) transfer. As a result, the gain distribution can be optimized along ultra-long fiber link, due to combination of the 2nd-order RFL and low-noise 1st-order pumping, making the transmission distance be extended significantly. We utilized such a configuration to achieve ultra-long-distance distributed sensing based on Brillouin optical time-domain analysis (BOTDA). A repeater-less sensing distance record of up to 154.4 km with 5 m spatial resolution and ~ ± 1.4 °C temperature uncertainty is successfully demonstrated.

  11. CO2 dynamics in nested catchments: a longitudinal perspective from soil to 1st and 2nd order streams

    NASA Astrophysics Data System (ADS)

    Johnson, M. S.; Lehmann, J.; Riha, S. J.; Couto, E. G.

    2005-12-01

    Fluxes of CO2 from terrestrial to aquatic environments were investigated in a nested catchment study in the seasonally-dry southern Amazon. Dissolved CO2 concentrations in groundwater springs, four 1st order streams and one 2nd order stream were determined via routine sampling and in-situ monitoring. CO2 concentrations were monitored in the soil atmosphere to 8m. Belowground, the seasonal trend in soil CO2 concentrations at depth lagged that of seasonal water table dynamics, with peak concentrations (8.7% CO2 vol/vol at 4m) occurring one month after maximum water table height, indicating a shift in root respiration and plant water uptake to deeper soil layers during the dry season. Peak dissolved CO2 concentrations in springs and streams lagged the soil CO2 maximum by an additional month. During storm events, streamflow CO2 concentrations were found to decrease initially, reflecting the initial contribution of low-CO2 direct precipitation and surface runoff. Streamwater CO2 then increased as the contribution of pre-event water to storm flow increased. Dissolved CO2 in springs was also found to increase during storm events. Diurnal fluctuations in dissolved CO2 of springs were also observed, indicating the connectivity of the biosphere, pedosphere and hydrosphere for headwater catchments. The dissolved CO2 concentration within 1st order streams decreases rapidly downstream from stream sources, with spring CO2 concentration 3.3 times that at headwater catchment outlets. This initial outgassing of CO2 within 1st order streams was found to be accompanied by a corresponding increase in the pH of stream water. However, dissolved CO2 concentrations were not found to be significantly different between 1st and 2nd order streams. This suggests a discontinuity between some processes at the terrestrial-aquatic interface in headwater catchments and those of larger-order watersheds.

  12. The 2nd Order Focusing by Energy for TOF Sector Field Mass Analyzer with an Orthogonal Acceleration: Theory, Modeling, Experiment

    NASA Astrophysics Data System (ADS)

    Poteshin, S. S.; Chernyshev, D. M.; Sysoev, Alexey A.; Sysoev, Alexander A.

    Currently axially symmetric type of analyzer with an electrostatic sector fields (AESF) is rarely used to construct time-of-flight mass spectrometers. The main drawback, hindering the wider use of the analyzers of this type, is the lack of chromatic second-order focusing by energy. However, the configuration of AESF in combination with orthogonal accelerator (OA) allows to achieved it through compensation of energy aberrations of the analyzer in the system of orthogonal input of the ion beam. In the presented work the results of theoretical calculation, simulation and experimentally obtained data are compared. Characteristics of the analyzer with OA in a large extent depend on the parameters of the incoming ion beam. Data of modeling the 2nd stage of gas-dynamic interface, which have the greatest influence on the parameters of the ion beam, is provided.

  13. Detection of 1st- and 2nd-order temporal-envelope cues in a patient with left superior cortical damage.

    PubMed

    Füllgrabe, Christian; Maillet, Didier; Moroni, Christine; Belin, Catherine; Lorenzi, Christian

    2004-06-01

    This psychophysical study explores the extent to which the auditory cortex is necessary for various aspects of temporal-envelope perception, that is, perception of the slow temporal modulations in amplitude known to be crucial for sound identification. The ability to detect 1st- and 2nd-order sinusoidal amplitude modulation (AM) is evaluated in a single patient showing left-hemisphere damage encroaching the primary and secondary auditory cortices. Here, 1st- and 2nd-order AM refer to (1) sinusoidal variation in the amplitude of a 2 kHz pure tone, and (2) sinusoidal variation in the depth of a 64 Hz AM applied to the 2 kHz pure tone, respectively. The results replicate previous findings by showing that damage to the left auditory cortex results in a selective deficit in auditory sensitivity to the lowest 1St-order AM (i.e., 1st-order AM frequencies < 16 Hz). Moreover, a dissociation is apparent between the ability to detect 1st- and 2nd-order temporal-envelope cues. The patient shows poorer than normal ability to detect 2nd-order AM at low frequencies ranging from 4-23 Hz, but normal ability to detect the high (64 Hz) 1st-order AM carrying these 2nd-order modulations. This result indicates that damage to the left primary and secondary auditory cortices affects the ability to detect temporal variations in the local properties of sounds(such as AM depth). It is also consistent with the idea that, as in vision, central nonlinear mechanisms are involved in the computation of such local (or 2nd-order) temporal properties.

  14. Explicit formulas for 2nd-order driving terms due to sextupoles and chromatic effects of quadrupoles.

    SciTech Connect

    Wang, C-X. )

    2012-04-25

    Optimization of nonlinear driving terms have become a useful tool for designing storage rings, especially modern light sources where the strong nonlinearity is dominated by the large chromatic effects of quadrupoles and strong sextupoles for chromaticity control. The Lie algebraic method is well known for computing such driving terms. However, it appears that there was a lack of explicit formulas in the public domain for such computation, resulting in uncertainty and/or inconsistency in widely used codes. This note presents explicit formulas for driving terms due to sextupoles and chromatic effects of quadrupoles, which can be considered as thin elements. The computation is accurate to the 4th-order Hamiltonian and 2nd-order in terms of magnet parameters. The results given here are the same as the APS internal note AOP-TN-2009-020. This internal nte has been revised and published here as a Light Source Note in order to get this information into the public domain, since both ELEGANT and OPA are using these formulas.

  15. 1st and 2nd order Raman scattering from n-Graphene Layer (nGL) Films on Silicon Substrates.

    NASA Astrophysics Data System (ADS)

    Gupta, Awnish; Chen, Gugang; Eklund, Peter

    2007-03-01

    Results of room temperature Raman scattering experiments on graphene and n-graphene layer films (nGLs) will be presented [1]. We find that the G band at ˜ 1582 cm-1 exhibits an interesting upshift in frequency with 1/n which we tentatively assign to a surface strain phenomenon connected with surface roughness of the substrate and compensated by the increase in stiffness of the nGL with increasing n. Interesting n-specific bands are observed in the ˜1350 cm-1 (or D-band) region which may correlate with deviations from planarity of the nGL. The second order scattering is very interesting and for small n (n<4) the (2D' or G') band intensity at ˜ 2700 cm-1 is actually higher than the first-order G-band scattering. The shape of this band is sensitive to n and thus can be used to identify n without an AFM measurement. Whereas, the 2D' band is sensitive to n, the 2nd order 2G band ˜ 3248 cm-1 is independent of n. These observations will be discussed in terms of the phonon and electronic dispersion of nGLs. 1 A. Gupta, G. Chen, P. Joshi, S. Tadigadapa and P.C. Eklund, `` Raman Scattering from High-Frequency Phonons in Supported n-Graphene Layer Films'' NanoLett (in Press).

  16. Experimental observations on the response of 1(st) and 2(nd) order fibre optic long period grating coupling bands to the deposition of nanostructured coatings.

    PubMed

    James, Stephen W; Cheung, C S; Tatam, Ralph P

    2007-10-01

    The sensitivity of attenuation bands corresponding to the 2(nd) order coupling to cladding modes by a fibre optic long period grating (LPG) to the deposition of nanostructured coatings is investigated and compared with that of the 1(st) order coupling. The experimental observations support previously reported theoretical descriptions of LPGs with nanoscale coatings.

  17. Increasing the water temperature of a 2nd order stream reach: Hydraulic aspects of a whole-stream manipulative experiment

    NASA Astrophysics Data System (ADS)

    de Lima, João L. M. P.; Canhoto, Cristina

    2015-04-01

    What will happen when water temperatures of streams increases, due to climate changes or in connection with rapidly changing human systems? Trying to answer to this question a whole-stream manipulative experiment was undertaken, where an increase in water temperature was artificially induced on a 2nd order stream reach. The main objective of this poster is to describe this experiment focusing on the design of the hydraulic system. The system maintained a steady flow while allowing natural variation in abiotic factors and was successfully used to evaluate the effects of warming on a stream ecosystem at several levels of biological organization. A constant flow of stream water was controlled by a hydraulic setup (~22m long; ~1.5m width) subdivided into two independent channels. One channel of the study reach received heated water (~3°C above the other), while the other received water at stream ambient temperature. The warming system maintained a steady gravity controlled flow making use of weirs and valves.

  18. Fabrication of 30 mm long baseline single-layer 2nd-order high- Tc SQUID gradiometer

    NASA Astrophysics Data System (ADS)

    Lee, Soon-Gul; Oh, Soo-Ho; Kang, Chan Seok; Kim, In-Seon

    2007-09-01

    We have designed and fabricated a 30 mm long baseline 2nd-order SQUID gradiometer from a single-layer YBa 2Cu 3O 7 film. The design rule was the same as that of our previous study on short baseline gradiometers. Three linearly aligned 10.2 mm × 10.2 mm pickup loops were coupled directly to a dc SQUID to measure ∂ 2Bz/∂ x2. The device had an overall size of 70.2 mm × 10.6 mm and was patterned from a single layer of YBa 2Cu 3O 7 film on a sapphire substrate by argon ion milling with a photoresist mask. The Josephson element of the SQUID was YBa 2Cu 3O 7 nanobridges formed by focused ion beam writing technique. Balancing of the device was achieved by optimizing the inductance of the center loop. Estimated sensitivity of the gradiometer was ∼1.8 × 10 -10 T/m 2/Hz 1/2, which is equivalent to a field noise of 160 fT/Hz 1/2, for an intrinsic SQUID flux noise of 10 -5 ϕ0/Hz 1/2.

  19. Second order density perturbations for dust cosmologies

    NASA Astrophysics Data System (ADS)

    Uggla, Claes; Wainwright, John

    2014-08-01

    We present simple expressions for the relativistic first and second order fractional density perturbations for Friedmann-Lemaître cosmologies with dust, in four different gauges: the Poisson, uniform curvature, total matter and synchronous-comoving gauges. We include a cosmological constant and arbitrary spatial curvature in the background. A distinctive feature of our approach is our description of the spatial dependence of the perturbations using a canonical set of quadratic differential expressions involving an arbitrary spatial function that arises as a conserved quantity. This enables us to unify, simplify and extend previous seemingly disparate results. We use the primordial matter and metric perturbations that emerge at the end of the inflationary epoch to determine the additional arbitrary spatial function that arises when integrating the second order perturbation equations. This introduces a non-Gaussianity parameter into the expressions for the second order density perturbation. In the special case of zero spatial curvature we show that the time evolution simplifies significantly, and requires the use of only two nonelementary functions, the so-called growth suppression factor at the linear level, and one new function at the second order level. We expect that the results will be useful in applications, for example, studying the effects of primordial non-Gaussianity on the large scale structure of the Universe.

  20. Second-order adjoint sensitivity analysis methodology (2nd-ASAM) for computing exactly and efficiently first- and second-order sensitivities in large-scale linear systems: I. Computational methodology

    NASA Astrophysics Data System (ADS)

    Cacuci, Dan G.

    2015-03-01

    This work presents the second-order forward and adjoint sensitivity analysis methodologies (2nd-FSAM and 2nd-ASAM) for computing exactly and efficiently the second-order functional derivatives of physical (engineering, biological, etc.) system responses (i.e., "system performance parameters") to the system's model parameters. The definition of "system parameters" used in this work includes all computational input data, correlations, initial and/or boundary conditions, etc. For a physical system comprising Nα parameters and Nr responses, we note that the 2nd-FSAM requires a total of (Nα2/2 + 3Nα / 2) large-scale computations for obtaining all of the first- and second-order sensitivities, for all Nr system responses. On the other hand, for one functional-type system response, the 2nd-ASAM requires one large-scale computation using the first-level adjoint sensitivity system for obtaining all of the first-order sensitivities, followed by at most Nα large-scale computations using the second-level adjoint sensitivity systems for obtaining exactly all of the second-order sensitivities. Therefore, the 2nd-FSAM should be used when Nr ≫Nα, while the 2nd-ASAM should be used when Nα ≫Nr. The original 2nd-ASAM presented in this work should enable the hitherto very difficult, if not intractable, exact computation of all of the second-order response sensitivities (i.e., functional Gateaux-derivatives) for large-systems involving many parameters, as usually encountered in practice. Very importantly, the implementation of the 2nd-ASAM requires very little additional effort beyond the construction of the adjoint sensitivity system needed for computing the first-order sensitivities.

  1. All-optical 1st- and 2nd-order differential equation solvers with large tuning ranges using Fabry-Pérot semiconductor optical amplifiers.

    PubMed

    Chen, Kaisheng; Hou, Jie; Huang, Zhuyang; Cao, Tong; Zhang, Jihua; Yu, Yuan; Zhang, Xinliang

    2015-02-09

    We experimentally demonstrate an all-optical temporal computation scheme for solving 1st- and 2nd-order linear ordinary differential equations (ODEs) with tunable constant coefficients by using Fabry-Pérot semiconductor optical amplifiers (FP-SOAs). By changing the injection currents of FP-SOAs, the constant coefficients of the differential equations are practically tuned. A quite large constant coefficient tunable range from 0.0026/ps to 0.085/ps is achieved for the 1st-order differential equation. Moreover, the constant coefficient p of the 2nd-order ODE solver can be continuously tuned from 0.0216/ps to 0.158/ps, correspondingly with the constant coefficient q varying from 0.0000494/ps(2) to 0.006205/ps(2). Additionally, a theoretical model that combining the carrier density rate equation of the semiconductor optical amplifier (SOA) with the transfer function of the Fabry-Pérot (FP) cavity is exploited to analyze the solving processes. For both 1st- and 2nd-order solvers, excellent agreements between the numerical simulations and the experimental results are obtained. The FP-SOAs based all-optical differential-equation solvers can be easily integrated with other optical components based on InP/InGaAsP materials, such as laser, modulator, photodetector and waveguide, which can motivate the realization of the complicated optical computing on a single integrated chip.

  2. Topological quantum order: Stability under local perturbations

    SciTech Connect

    Bravyi, Sergey; Hastings, Matthew B.; Michalakis, Spyridon

    2010-09-15

    We study zero-temperature stability of topological phases of matter under weak time-independent perturbations. Our results apply to quantum spin Hamiltonians that can be written as a sum of geometrically local commuting projectors on a D-dimensional lattice with certain topological order conditions. Given such a Hamiltonian H{sub 0}, we prove that there exists a constant threshold {epsilon}>0 such that for any perturbation V representable as a sum of short-range bounded-norm interactions, the perturbed Hamiltonian H=H{sub 0}+{epsilon}V has well-defined spectral bands originating from low-lying eigenvalues of H{sub 0}. These bands are separated from the rest of the spectra and from each other by a constant gap. The band originating from the smallest eigenvalue of H{sub 0} has exponentially small width (as a function of the lattice size). Our proof exploits a discrete version of Hamiltonian flow equations, the theory of relatively bounded operators, and the Lieb-Robinson bound.

  3. Second-order adjoint sensitivity analysis methodology (2nd-ASAM) for computing exactly and efficiently first- and second-order sensitivities in large-scale linear systems: II. Illustrative application to a paradigm particle diffusion problem

    NASA Astrophysics Data System (ADS)

    Cacuci, Dan G.

    2015-03-01

    This work presents an illustrative application of the second-order adjoint sensitivity analysis methodology (2nd-ASAM) to a paradigm neutron diffusion problem, which is sufficiently simple to admit an exact solution, thereby making transparent the underlying mathematical derivations. The general theory underlying 2nd-ASAM indicates that, for a physical system comprising Nα parameters, the computation of all of the first- and second-order response sensitivities requires (per response) at most (2Nα + 1) "large-scale" computations using the first-level and, respectively, second-level adjoint sensitivity systems (1st-LASS and 2nd-LASS). Very importantly, however, the illustrative application presented in this work shows that the actual number of adjoint computations needed for computing all of the first- and second-order response sensitivities may be significantly less than (2Nα + 1) per response. For this illustrative problem, four "large-scale" adjoint computations sufficed for the complete and exact computations of all 4 first- and 10 distinct second-order derivatives. Furthermore, the construction and solution of the 2nd-LASS requires very little additional effort beyond the construction of the adjoint sensitivity system needed for computing the first-order sensitivities. Very significantly, only the sources on the right-sides of the diffusion (differential) operator needed to be modified; the left-side of the differential equations (and hence the "solver" in large-scale practical applications) remained unchanged. All of the first-order relative response sensitivities to the model parameters have significantly large values, of order unity. Also importantly, most of the second-order relative sensitivities are just as large, and some even up to twice as large as the first-order sensitivities. In the illustrative example presented in this work, the second-order sensitivities contribute little to the response variances and covariances. However, they have the

  4. A novel 2nd-order shape function based digital image correlation method for large deformation measurements

    NASA Astrophysics Data System (ADS)

    Bai, Ruixiang; Jiang, Hao; Lei, Zhenkun; Li, Weikang

    2017-03-01

    Compared with the traditional forward compositional matching strategy, the inverse compositional matching strategy has almost the same accuracy, but has an obviously higher efficiency than the former in digital image correlation (DIC) algorithms. Based on the inverse compositional matching strategy and the auxiliary displacement functions, a more accurate inverse compositional Gauss-Newton (IC-GN2) algorithm with a new second-order shape operator is proposed for nonuniform and large deformation measurements. A theoretical deduction showed that the new proposed second-order shape operator is invertible and can steadily attain second-order precision. The result of the numerical simulation showed that the matching accuracy of the new IC-GN2 algorithm is the same as that of the forward compositional Gauss-Newton (FC-GN2) algorithm and is relatively better than in IC-GN2 algorithm. Finally, a rubber tension experiment with a large deformation of 27% was performed to validate the feasibility of the proposed algorithm.

  5. A low-pass differentiation filter based on the 2nd-order B-spline wavelet for calculating augmentation index.

    PubMed

    He, Zijun; Zhang, Yongliang; Ma, Zuchang; Hu, Fusong; Sun, Yining

    2014-06-01

    The key point to calculate augmentation index (AIx) related to cardiovascular diseases is the precise identification of the shoulder point. The commonly used method for extracting the shoulder point is to calculate the fourth derivative of the pulse waveform by numerical differentiation. However, this method has a poor anti-noise capability and is computationally intensive. The aims of this study were to develop a new method based on the 2nd-order B-spline wavelet for calculating AIx, and to compare it with numerical differentiation and Savitzky-Golay digital differentiator (SGDD). All the three methods were applied to pulse waveforms derived from 60 healthy subjects. There was a significantly high correlation between the proposed method and numerical differentiation (r=0.998 for carotid pulses, and r=0.997 for radial pulses), as well as between the proposed method and the SGDD (r=0.995 for carotid pulses, and r=0.993 for radial pulses). In addition, the anti-noise capability of the proposed method was evaluated by adding simulated noise (>10Hz) on pulse waveforms. The results showed that the proposed method was advantageous in noise tolerance than the other two methods. These findings indicate that the proposed method can quickly and accurately calculate AIx with a good anti-noise capability.

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

    SciTech Connect

    Lehners, Jean-Luc; Renaux-Petel, Sebastien

    2009-09-15

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

  7. The truncated Newton using 1st and 2nd order adjoint-state method: a new approach for traveltime tomography without rays

    NASA Astrophysics Data System (ADS)

    Bretaudeau, F.; Metivier, L.; Brossier, R.; Virieux, J.

    2013-12-01

    named as the truncated Newton (TCN) (Métivier et al. 2012) with a more accurate estimation of the impact of the Hessian. We propose an efficient implementation for first-arrival traveltime tomography. In TCN, the model update Δm is obtained through the iterative resolution of the Newton linear system H Δm = - g. Based on a matrix-free conjugate gradient resolution, the iterative solver requires only the computation of the gradient and of Hessian-vector products. We propose a generalization of the computation of the gradient using the adjoint-state method that allows to consider receivers located anywhere. Then the Hessian-vector products are computed using an original formulation based on a 2nd-order adjoint-state method, at the cost of an additional forward modeling. The TCN algorithm is composed of two nested loops: an internal loop to compute Δm, and an external loop where a line search is performed to update the subsurface parameters. TCN thus considers locally the inversion of the traveltime data using an estimation of the full Hessian (both 1st and 2nd order terms) at an acceptable cost. Tomography with TCN is an improvement over the simple gradient-based adjoint-state tomography due to its good convergence property, to the better consideration of illumination, and is a promising tool for multi-parameter inversion as rescaling is given by the Hessian.

  8. High-order perturbations of a spherical collapsing star

    SciTech Connect

    Brizuela, David; Martin-Garcia, Jose M.; Sperhake, Ulrich; Kokkotas, Kostas D.

    2010-11-15

    A formalism to deal with high-order perturbations of a general spherical background was developed in earlier work [D. Brizuela, J. M. Martin-Garcia, and G. A. Mena Marugan, Phys. Rev. D 74, 044039 (2006); D. Brizuela, J. M. Martin-Garcia, and G. A. Mena Marugan, Phys. Rev. D 76, 024004 (2007)]. In this paper, we apply it to the particular case of a perfect fluid background. We have expressed the perturbations of the energy-momentum tensor at any order in terms of the perturbed fluid's pressure, density, and velocity. In general, these expressions are not linear and have sources depending on lower-order perturbations. For the second-order case we make the explicit decomposition of these sources in tensor spherical harmonics. Then, a general procedure is given to evolve the perturbative equations of motions of the perfect fluid for any value of the harmonic label. Finally, with the problem of a spherical collapsing star in mind, we discuss the high-order perturbative matching conditions across a timelike surface, in particular, the surface separating the perfect fluid interior from the exterior vacuum.

  9. High-order perturbations of a spherical collapsing star

    NASA Astrophysics Data System (ADS)

    Brizuela, David; Martín-García, José M.; Sperhake, Ulrich; Kokkotas, Kostas D.

    2010-11-01

    A formalism to deal with high-order perturbations of a general spherical background was developed in earlier work [D. Brizuela, J. M. Martín-García, and G. A. Mena Marugán, Phys. Rev. DPRVDAQ1550-7998 74, 044039 (2006);10.1103/PhysRevD.74.044039 D. Brizuela, J. M. Martín-García, and G. A. Mena Marugán, Phys. Rev. DPRVDAQ1550-7998 76, 024004 (2007)10.1103/PhysRevD.76.024004]. In this paper, we apply it to the particular case of a perfect fluid background. We have expressed the perturbations of the energy-momentum tensor at any order in terms of the perturbed fluid’s pressure, density, and velocity. In general, these expressions are not linear and have sources depending on lower-order perturbations. For the second-order case we make the explicit decomposition of these sources in tensor spherical harmonics. Then, a general procedure is given to evolve the perturbative equations of motions of the perfect fluid for any value of the harmonic label. Finally, with the problem of a spherical collapsing star in mind, we discuss the high-order perturbative matching conditions across a timelike surface, in particular, the surface separating the perfect fluid interior from the exterior vacuum.

  10. Nonlinear random motion analysis of coupled heave-pitch motions of a spar platform considering 1st-order and 2nd-order wave loads

    NASA Astrophysics Data System (ADS)

    Liu, Shuxiao; Tang, Yougang; Li, Wei

    2016-06-01

    In this study, we consider first- and second-order random wave loads and the effects of time-varying displacement volume and transient wave elevation to establish motion equations of the Spar platform's coupled heave-pitch. We generated random wave loads based on frequency-domain wave load transfer functions and the Joint North Sea Wave Project (JONSWAP) wave spectrum, designed program codes to solve the motion equations, and then simulated the coupled heave-pitch motion responses of the platform in the time domain. We then calculated and compared the motion responses in different sea conditions and separately investigated the effects of second-order random wave loads and transient wave elevation. The results show that the coupled heave-pitch motion responses of the platform are primarily dominated by wave height and the characteristic wave period, the latter of which has a greater impact. Second-order mean wave loads mainly affect the average heave value. The platform's pitch increases after the second-order low frequency wave loads are taken into account. The platform's heave is underestimated if the transient wave elevation term in the motion equations is neglected.

  11. Nonperturbative Quantum Physics from Low-Order Perturbation Theory.

    PubMed

    Mera, Héctor; Pedersen, Thomas G; Nikolić, Branislav K

    2015-10-02

    The Stark effect in hydrogen and the cubic anharmonic oscillator furnish examples of quantum systems where the perturbation results in a certain ionization probability by tunneling processes. Accordingly, the perturbed ground-state energy is shifted and broadened, thus acquiring an imaginary part which is considered to be a paradigm of nonperturbative behavior. Here we demonstrate how the low order coefficients of a divergent perturbation series can be used to obtain excellent approximations to both real and imaginary parts of the perturbed ground state eigenenergy. The key is to use analytic continuation functions with a built-in singularity structure within the complex plane of the coupling constant, which is tailored by means of Bender-Wu dispersion relations. In the examples discussed the analytic continuation functions are Gauss hypergeometric functions, which take as input fourth order perturbation theory and return excellent approximations to the complex perturbed eigenvalue. These functions are Borel consistent and dramatically outperform widely used Padé and Borel-Padé approaches, even for rather large values of the coupling constant.

  12. On high-order perturbative calculations at finite density

    NASA Astrophysics Data System (ADS)

    Ghişoiu, Ioan; Gorda, Tyler; Kurkela, Aleksi; Romatschke, Paul; Säppi, Matias; Vuorinen, Aleksi

    2017-02-01

    We discuss the prospects of performing high-order perturbative calculations in systems characterized by a vanishing temperature but finite density. In particular, we show that the determination of generic Feynman integrals containing fermionic chemical potentials can be reduced to the evaluation of three-dimensional phase space integrals over vacuum on-shell amplitudes - a result reminiscent of a previously proposed "naive real-time formalism" for vacuum diagrams. Applications of these rules are discussed in the context of the thermodynamics of cold and dense QCD, where it is argued that they facilitate an extension of the Equation of State of cold quark matter to higher perturbative orders.

  13. 'Constraint consistency' at all orders in cosmological perturbation theory

    SciTech Connect

    Nandi, Debottam; Shankaranarayanan, S. E-mail: shanki@iisertvm.ac.in

    2015-08-01

    We study the equivalence of two—order-by-order Einstein's equation and Reduced action—approaches to cosmological perturbation theory at all orders for different models of inflation. We point out a crucial consistency check which we refer to as 'Constraint consistency' condition that needs to be satisfied in order for the two approaches to lead to identical single variable equation of motion. The method we propose here is quick and efficient to check the consistency for any model including modified gravity models. Our analysis points out an important feature which is crucial for inflationary model building i.e., all 'constraint' inconsistent models have higher order Ostrogradsky's instabilities but the reverse is not true. In other words, one can have models with constraint Lapse function and Shift vector, though it may have Ostrogradsky's instabilities. We also obtain single variable equation for non-canonical scalar field in the limit of power-law inflation for the second-order perturbed variables.

  14. Perturbations of matter fields in the second-order gauge-invariant cosmological perturbation theory

    NASA Astrophysics Data System (ADS)

    Nakamura, Kouji

    2009-12-01

    To show that the general framework of the second-order gauge-invariant perturbation theory developed by K. Nakamura [Prog. Theor. Phys. 110, 723 (2003)PTPKAV0033-068X10.1143/PTP.110.723; Prog. Theor. Phys. 113, 481 (2005)PTPKAV0033-068X10.1143/PTP.113.481] is applicable to a wide class of cosmological situations, some formulas for the perturbations of the matter fields are summarized within the framework of the second-order gauge-invariant cosmological perturbation theory in a four-dimensional homogeneous isotropic universe, which is developed in Prog. Theor. Phys. 117, 17 (2007)PTPKAV0033-068X10.1143/PTP.117.17. We derive the formulas for the perturbations of the energy-momentum tensors and equations of motion for a perfect fluid, an imperfect fluid, and a single scalar field, and show that all equations are derived in terms of gauge-invariant variables without any gauge fixing. Through these formulas, we may say that the decomposition formulas for the perturbations of any tensor field into gauge-invariant and gauge-variant parts, which are proposed in the above papers, are universal.

  15. A simple extrapolation of thermodynamic perturbation theory to infinite order

    SciTech Connect

    Ghobadi, Ahmadreza F.; Elliott, J. Richard

    2015-09-21

    Recent analyses of the third and fourth order perturbation contributions to the equations of state for square well spheres and Lennard-Jones chains show trends that persist across orders and molecular models. In particular, the ratio between orders (e.g., A{sub 3}/A{sub 2}, where A{sub i} is the ith order perturbation contribution) exhibits a peak when plotted with respect to density. The trend resembles a Gaussian curve with the peak near the critical density. This observation can form the basis for a simple recursion and extrapolation from the highest available order to infinite order. The resulting extrapolation is analytic and therefore cannot fully characterize the critical region, but it remarkably improves accuracy, especially for the binodal curve. Whereas a second order theory is typically accurate for the binodal at temperatures within 90% of the critical temperature, the extrapolated result is accurate to within 99% of the critical temperature. In addition to square well spheres and Lennard-Jones chains, we demonstrate how the method can be applied semi-empirically to the Perturbed Chain - Statistical Associating Fluid Theory (PC-SAFT)

  16. High-order variational perturbation theory for the free energy.

    PubMed

    Weissbach, Florian; Pelster, Axel; Hamprecht, Bodo

    2002-09-01

    In this paper we introduce a generalization to the algebraic Bender-Wu recursion relation for the eigenvalues and the eigenfunctions of the anharmonic oscillator. We extend this well known formalism to the time-dependent quantum statistical Schrödinger equation, thus obtaining the imaginary-time evolution amplitude by solving a recursive set of ordinary differential equations. This approach enables us to evaluate global and local quantum statistical quantities of the anharmonic oscillator to much higher orders than by evaluating Feynman diagrams. We probe our perturbative results by deriving a perturbative expression for the free energy, which is then subject to variational perturbation theory as developed by Kleinert, yielding convergent results for the free energy for all values of the coupling strength.

  17. A neutron diffraction study of structural distortion and magnetic ordering in the cation-ordered perovskites Ba{sub 2}Nd{sub 1−x}Y{sub x}MoO{sub 6}

    SciTech Connect

    Collins, Oonagh M.; Cussen, Edmund J.

    2013-04-15

    The cation ordered perovskites Ba{sub 2}Nd{sub 1−x}Y{sub x}MoO{sub 6} (0.04≤x≤0.35) have been synthesised by solid-state techniques under reducing conditions at temperatures up to 1350 °C. Rietveld analyses of X-ray and neutron powder diffraction data show that these compounds adopt a tetragonally distorted perovskite structure. The tetragonal distortion is driven by the bonding requirements of the Ba{sup 2+} cation that occupies the central interstice of the perovskite; this cation would be underbonded if these compounds retained the cubic symmetry exhibited by the prototypical structure. The size and charge difference between the lanthanides and Mo{sup 5+} lead to complete ordering of the cations to give a rock-salt ordering of Nd{sup 3+}/Y{sup 3+}O{sub 6} and MoO{sub 6} octahedra. The I4/m space group symmetry is retained on cooling the x=0.1, 0.2 and 0.35 samples to low temperature ca. 2 K. Ba{sub 2}Nd{sub 0.90}Y{sub 0.10}MoO{sub 6} undergoes a gradual distortion of the MoO{sub 6} units on cooling from room temperature to give two long trans bonds (2.001(2) Å) along the z-direction and four shorter apical bonds (1.9563(13) Å) in the xy-plane. This distortion of the MoO{sub 6} units stabilises the 4d{sup 1} electron in the d{sub xz} and d{sub yz} orbitals whilst the d{sub xy} orbital is increased in energy due to the contraction of the Mo–O bonds in the xy-plane. This bond extension along z is propagated through the structure and gives a negative thermal expansion of −13×10{sup −6} K{sup −1} along c. The overall volumetric thermal expansion is positive due to conventional expansion along the other two crystallographic axes. With increasing Y{sup 3+} content this distortion is reduced in x=0.2 and eliminated in x=0.35 which contains largely regular MoO{sub 6} octahedra. The x=0.1 and x=0.2 show small peaks in the neutron diffraction profile due to long range antiferromagnetic order arising from ordered moments of ca. 2 μ{sub B}. - Graphical

  18. Staggered chiral perturbation theory at next-to-leading order

    SciTech Connect

    Sharpe, Stephen R.; Van de Water, Ruth S.

    2005-06-01

    We study taste and Euclidean rotational symmetry violation for staggered fermions at nonzero lattice spacing using staggered chiral perturbation theory. We extend the staggered chiral Lagrangian to O(a{sup 2}p{sup 2}), O(a{sup 4}), and O(a{sup 2}m), the orders necessary for a full next-to-leading order calculation of pseudo-Goldstone boson masses and decay constants including analytic terms. We then calculate a number of SO(4) taste-breaking quantities, which involve only a small subset of these next-to-leading order operators. We predict relationships between SO(4) taste-breaking splittings in masses, pseudoscalar decay constants, and dispersion relations. We also find predictions for a few quantities that are not SO(4) breaking. All these results hold also for theories in which the fourth root of the fermionic determinant is taken to reduce the number of quark tastes; testing them will therefore provide evidence for or against the validity of this trick.

  19. Fourth-order perturbative model for photoinduced internal conversion processes.

    PubMed

    Molesky, Brian P; Moran, Andrew M

    2013-12-27

    Essential to the functionality of numerous biological and synthetic molecular systems is the ability to rapidly convert electronic excitation energy into heat. Such internal conversion (IC) transitions often cannot be described by traditional second-order kinetic theories because of time-coincident electronic and nuclear relaxation processes. Here, we present a perturbative fourth-order phenomenological model for photoinduced IC that incorporates effects associated with finite laser bandwidths and nonequilibrium nuclear motions. Specialized knowledge of first-principles computational methods is not required, and many parameters can be obtained with standard spectroscopic measurements. The model is applied to the IC processes that precede electrocyclic ring-opening in α-terpinene. It is shown that the primary factor governing the shape of the population decay profile (Gaussian versus exponential) is the rate at which the wavepacket approaches the geometry corresponding to degeneracy between the excited states. Other parameters such as the displacement in the promoting mode and the thermal fluctuation amplitudes affect the sensitivity of the IC dynamics to motion of the wavepacket but do not alter the basic physical picture. Finally, we suggest a wavepacket representation of the IC process to visualize correlations between population-transfer dynamics and the amount of energy transferred from the system to the bath.

  20. The 2nd order focusing sector field type TOF mass analyzer with an orthogonal ion acceleration for LC-IMS-MS.

    PubMed

    Poteshin, S S; Zarakovsky, A I

    2017-03-15

    Original orthogonal acceleration (OA) electrostatic sector time of flight (TOF) mass analyzer is proposed those allows the second order focusing of time of flight by initial ions position. Resolving power aberration limit exceeding 80,000 FW (full width mass peak) was shown to be obtainable for mass analyzer with the total length of flight L=133.2cm, the average ion energy 3700V and the ion energy spread of 2.5% on the entrance of sector field.

  1. Second-order perturbation on a SDCI calculation

    NASA Astrophysics Data System (ADS)

    Maynau, Daniel; Heully, Jean-Louis

    1993-08-01

    Starting from a SDCI calculation the SD eigenvector is perturbed by all triply and quadruply excited determinants. Efficiency is promoted through direct CI techniques, however, some flexibility has been kept, making possible the use of various perturbational schemes (here: Epstein—Nesbet and M∅ller—Plesset). The SDCI starting point avoids divergence problems posed by CCSD(T) and also by purely perturbative methods such as MP4. Several calculations on the potential curves of some molecules (H 2O, N 2, F 2, Ne 2) show that the present method is at least as good as the MP4 or CCSD(T) methods at comparable computational cost.

  2. SECOND-ORDER SOLUTIONS OF COSMOLOGICAL PERTURBATION IN THE MATTER-DOMINATED ERA

    SciTech Connect

    Hwang, Jai-chan; Noh, Hyerim; Gong, Jinn-Ouk

    2012-06-10

    We present the growing mode solutions of cosmological perturbations to the second order in the matter-dominated era. We also present several gauge-invariant combinations of perturbation variables to the second order in the most general fluid context. Based on these solutions, we study the Newtonian correspondence of relativistic perturbations to the second order. In addition to the previously known exact relativistic/Newtonian correspondence of density and velocity perturbations to the second order in the comoving gauge, here we show that in the sub-horizon limit we have the correspondences for density, velocity, and potential perturbations in the zero-shear gauge and in the uniform-expansion gauge to the second order. Density perturbation in the uniform-curvature gauge also shows the correspondence to the second order in the sub-horizon scale. We also identify the relativistic gravitational potential that shows exact correspondence to the Newtonian one to the second order.

  3. Photonic Crystals from Order to Disorder: Perturbative Methods in Nanophotonics

    ScienceCinema

    Johnson, Steven G. [MIT, Cambridge, Massachusetts, United States

    2016-07-12

    Photonic crystals are periodic dielectric structures in which light can behave much differently than in a homogeneous medium. This talk gives an overview of some of the interesting properties and applications of these media, from switching in subwavelength microcavities to slow-light devices, to guiding light in air. However, some of the most interesting and challenging problems occur when the periodicity is disturbed, either by design or by inevitable fabrication imperfections. The talk focuses especially on small perturbations that have important effects, from slow-light tapers to surface roughness disorder, and will show that many classic perturbative approaches must be rethought for high-contrast nanophotonics. The combination of strong periodicity with large field discontinuities at interfaces causes standard methods to fail, but succumbs to new generalizations, while some problems remain open.

  4. Automatic Integral Reduction for Higher Order Perturbative Calculations

    SciTech Connect

    Anastasiou, C

    2004-06-04

    We present a program for the reduction of large systems of integrals to master integrals. The algorithm was first proposed by Laporta; in this paper, we implement it in MAPLE. We also develop two new features which keep the size of intermediate expressions relatively small throughout the calculation. The program requires modest input information from the user and can be used for generic calculations in perturbation theory.

  5. Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory.

    PubMed

    Stopkowicz, Stella; Gauss, Jürgen

    2011-05-28

    In this work, we present relativistic corrections to first-order electrical properties obtained using fourth-order direct perturbation theory (DPT4) at the Hartree-Fock level. The considered properties, i.e., dipole moments and electrical-field gradients, have been calculated using numerical differentiation techniques based on a recently reported DPT4 code for energies [S. Stopkowicz and J. Gauss, J. Chem. Phys. 134, 064114 (2011)]. For the hydrogen halides HX, X=F, Cl, Br, I, and At, we study the convergence of the scalar-relativistic contributions by comparing the computed DPT corrections to results from spin-free Dirac-Hartree-Fock calculations. Furthermore, since in the DPT series spin-orbit contributions first appear at fourth order, we investigate their magnitude and judge the performance of the DPT4 treatment by means of Dirac-Hartree-Fock benchmark calculations. Finally, motivated by experimental investigations of the molecules CH(2)FBr, CHF(2)Br, and CH(2)FI, we present theoretical results for their halogen quadrupole-coupling tensors and give recommendations concerning the importance of higher-order scalar-relativistic and spin-orbit corrections.

  6. Perturbative approach for non local and high order derivative theories

    SciTech Connect

    Avilez, Ana A.; Vergara, J. David

    2009-04-20

    We propose a reduction method of classical phase space of high order derivative theories in singular and non singular cases. The mechanism is to reduce the high order phase space by imposing suplementary constraints, such that the evolution takes place in a submanifold where high order degrees of freedom are absent. The reduced theory is ordinary and is cured of the usual high order theories diseases, it approaches well low energy dynamics.

  7. Second-order perturbations of cosmological fluids: Relativistic effects of pressure, multicomponent, curvature, and rotation

    SciTech Connect

    Hwang, Jai-chan; Noh, Hyerim

    2007-11-15

    We present general relativistic correction terms appearing in Newton's gravity to the second-order perturbations of cosmological fluids. In our previous work we have shown that to the second-order perturbations, the density and velocity perturbation equations of general relativistic zero-pressure, irrotational, single-component fluid in a spatially flat background coincide exactly with the ones known in Newton's theory without using the gravitational potential. We also have shown the effect of gravitational waves to the second order, and pure general relativistic correction terms appearing in the third-order perturbations. Here, we present results of second-order perturbations relaxing all the assumptions made in our previous works. We derive the general relativistic correction terms arising due to (i) pressure, (ii) multicomponent, (iii) background spatial curvature, and (iv) rotation. In the case of multicomponent zero-pressure, irrotational fluids under the flat background, we effectively do not have relativistic correction terms, thus the relativistic equations expressed in terms of density and velocity perturbations again coincide with the Newtonian ones. In the other three cases we generally have pure general relativistic correction terms. In the case of pressure, the relativistic corrections appear even in the level of background and linear perturbation equations. In the presence of background spatial curvature, or rotation, pure relativistic correction terms directly appear in the Newtonian equations of motion of density and velocity perturbations to the second order; to the linear order, without using the gravitational potential (or metric perturbations), we have relativistic/Newtonian correspondences for density and velocity perturbations of a single-component fluid including the rotation even in the presence of background spatial curvature. In the small-scale limit (far inside the horizon), to the second-order, relativistic equations of density and

  8. Application of MACSYMA to first order perturbation theory in celestial mechanics

    NASA Technical Reports Server (NTRS)

    Anderson, J. D.; Lau, E. L.

    1977-01-01

    The application of MACSYMA to general first order perturbation theory in celestial mechanics is explored. Methods of derivation of small variations in the Keplerian orbital elements are developed. As an example of the methods, the small general relativistic perturbations on the two-body Newtonian motion, resulting from the rotation of the central body, are developed in detail.

  9. Convergence of high order perturbative expansions in open system quantum dynamics

    NASA Astrophysics Data System (ADS)

    Xu, Meng; Song, Linze; Song, Kai; Shi, Qiang

    2017-02-01

    We propose a new method to directly calculate high order perturbative expansion terms in open system quantum dynamics. They are first written explicitly in path integral expressions. A set of differential equations are then derived by extending the hierarchical equation of motion (HEOM) approach. As two typical examples for the bosonic and fermionic baths, specific forms of the extended HEOM are obtained for the spin-boson model and the Anderson impurity model. Numerical results are then presented for these two models. General trends of the high order perturbation terms as well as the necessary orders for the perturbative expansions to converge are analyzed.

  10. Systematic all-orders method to eliminate renormalization-scale and scheme ambiguities in perturbative QCD.

    PubMed

    Mojaza, Matin; Brodsky, Stanley J; Wu, Xing-Gang

    2013-05-10

    We introduce a generalization of the conventional renormalization schemes used in dimensional regularization, which illuminates the renormalization scheme and scale ambiguities of perturbative QCD predictions, exposes the general pattern of nonconformal {β(i)} terms, and reveals a special degeneracy of the terms in the perturbative coefficients. It allows us to systematically determine the argument of the running coupling order by order in perturbative QCD in a form which can be readily automatized. The new method satisfies all of the principles of the renormalization group and eliminates an unnecessary source of systematic error.

  11. Next-to-leading order perturbative QCD corrections to baryon correlators in matter

    SciTech Connect

    Groote, S.; Koerner, J. G.; Pivovarov, A. A.

    2008-08-01

    We compute the next-to-leading order (NLO) perturbative QCD corrections to the correlators of nucleon interpolating currents in relativistic nuclear matter. The main new result is the calculation of the O({alpha}{sub s}) perturbative corrections to the coefficient functions of the vector quark condensate in matter. This condensate appears in matter due to the violation of Lorentz invariance. The NLO perturbative QCD corrections turn out to be large which implies that the NLO corrections must be included in a sum rule analysis of the properties of both bound nucleons and relativistic nuclear matter.

  12. Leading Order Response of Statistical Averages of a Dynamical System to Small Stochastic Perturbations

    NASA Astrophysics Data System (ADS)

    Abramov, Rafail V.

    2017-03-01

    The classical fluctuation-dissipation theorem predicts the average response of a dynamical system to an external deterministic perturbation via time-lagged statistical correlation functions of the corresponding unperturbed system. In this work we develop a fluctuation-response theory and test a computational framework for the leading order response of statistical averages of a deterministic or stochastic dynamical system to an external stochastic perturbation. In the case of a stochastic unperturbed dynamical system, we compute the leading order fluctuation-response formulas for two different cases: when the existing stochastic term is perturbed, and when a new, statistically independent, stochastic perturbation is introduced. We numerically investigate the effectiveness of the new response formulas for an appropriately rescaled Lorenz 96 system, in both the deterministic and stochastic unperturbed dynamical regimes.

  13. 2nd Generation ELT Performance Specification Development

    NASA Technical Reports Server (NTRS)

    Stimson, Chad M.

    2015-01-01

    NASA Search And Rescue is supporting RTCA SC-229 with research and recommendations for performance specifications for the 2nd generation of emergency locator transmitters. Areas for improvement and methods for collecting data will be presented.

  14. High-order harmonic generation from gapped graphene: Perturbative response and transition to nonperturbative regime

    NASA Astrophysics Data System (ADS)

    Dimitrovski, Darko; Madsen, Lars Bojer; Pedersen, Thomas Garm

    2017-01-01

    We consider the interaction of gapped graphene in the two-band approximation using an explicit time-dependent approach. In addition to the full high-order harmonic generation (HHG) spectrum, we also obtain the perturbative harmonic response using the time-dependent method at photon energies covering all the significant features in the responses. The transition from the perturbative to the fully nonperturbative regime of HHG at these photon energies is studied in detail.

  15. Application of Fourth Order Vibrational Perturbation Theory with Analytic Hartree-Fock Force Fields

    NASA Astrophysics Data System (ADS)

    Gong, Justin Z.; Matthews, Devin A.; Stanton, John F.

    2014-06-01

    Fourth-Order Rayleigh-Schrodinger Perturbation Theory (VPT4) is applied to a series of small molecules. The quality of results have been shown to be heavily dependent on the quality of the quintic and sextic force constants used and that numerical sextic force constants converge poorly and are unreliable for VPT4. Using analytic Hartree-Fock force constants, it is shown that these analytic higher-order force constants are comparable to corresponding force constants from numerical calculations at a higher level of theory. Calculations show that analytic Hartree-Fock sextic force constants are reliable and can provide good results with Fourth-Order Rayleigh-Schrodinger Perturbation Theory.

  16. Consistency of Equations in the Second-Order Gauge-Invariant Cosmological Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Nakamura, K.

    2009-06-01

    Along the general framework of the gauge-invariant perturbation theory developed in the papers [K.~Nakamura, Prog.~Theor.~Phys. 110 (2003), 723; Prog.~Theor.~Phys. 113 (2005), 481], we rederive the second-order Einstein equation on four-dimensional homogeneous isotropic background universe in a gauge-invariant manner without ignoring any mode of perturbations. We consider the perturbations both in the universe dominated by the single perfect fluid and in that dominated by the single scalar field. We also confirmed the consistency of all the equations of the second-order Einstein equation and the equations of motion for matter fields, which are derived in the paper [K.~Nakamura, arXiv:0804.3840]. This confirmation implies that all the derived equations of the second order are self-consistent and these equations are correct in this sense.

  17. Higher-order massive neutrino perturbations in large-scale structure

    NASA Astrophysics Data System (ADS)

    Führer, Florian; Wong, Yvonne Y. Y.

    2015-03-01

    We develop a higher-order perturbation theory for large-scale structure formation involving a free-streaming hot or warm dark matter species. We focus on the case of mixed cold dark matter and massive neutrinos, although our approach is applicable also to a single warm dark matter species. In order to capture the suppressed growth of neutrino density perturbations on small scales, we account for the full momentum dependence of the phase space distribution using the Vlasov equation, and derive from it a formal closed-form nonlinear equation for the neutrino density. Using a systematic perturbative expansion of this equation we compute high-order corrections to the neutrino density contrast without the explicit need to track the perturbed neutrino momentum distribution. We calculate the leading-order total matter bispectrum for several neutrino masses. Using our result as a benchmark, we test the accuracy of the fluid approximation and a linear approximation used in perturbative and N-body analyses, as well as a new hybrid approach that combines the exact linear evolution with the nonlinear structure of the fluid equations. Aiming at lesssim 1% accuracy, we find that the total matter bispectrum with a low neutrino mass m = 0.046 eV can be reproduced by all but the fluid approximation, while for larger neutrino masses m=0.46 → 0.93 eV only the hybrid approach has the desired accuracy on a large range of scales. This result serves as a cautionary note that approximate nonlinear models of neutrino clustering that reproduce the gross features of some observables may not suffice for precision calculations, nor are they guaranteed to apply to other observables. All of the approximation schemes fail to reproduce the bispectrum of the neutrino density perturbations at better than 20% accuracy across all scales, indicating that an exact treatment of nonlinear neutrino perturbations is necessary.

  18. New implementation of the configuration-based multi-reference second order perturbation theory

    NASA Astrophysics Data System (ADS)

    Lei, Yibo; Wang, Yubin; Han, Huixian; Song, Qi; Suo, Bingbing; Wen, Zhenyi

    2012-10-01

    We present an improved version of the configuration-based multi-reference second-order perturbation approach (CB-MRPT2) according to the formulation of Lindgren on perturbation theory of a degenerate model space. This version involves a reclassification of the perturbation functions and new algorithms to calculate matrix elements in the perturber energy expressions utilizing the graphical unitary group approach and the hole-particle symmetry. The diagonalize-then-perturb (DP), including Rayleigh-Schrödinger and Brillouin-Wigner, and diagonalize-then-perturb-then-diagonalize (DPD) modes have been implemented. The new CB-MRPT2 method is applied to several typical and interesting systems: (1) the vertical excitation energies for several states of CO and N2, (2) energy comparison and timing of the ground state of C4H6, (3) the quasi-degeneracy of states in LiF, (4) the intruder state problems of AgH, and (5) the relative energies of di-copper-oxygen-ammonia complex isomers. The results indicate that the computational accuracy and efficiency of the presented methods are competitive and intruder-free. It should be emphasized that the DPD method rectifies naturally the shortcomings of LiF potential energy curves constructed by the original second order complete active space perturbation theory (CASPT2), without having to recourse to the so-called state mixture. Unlike CASPT2, the new methods give the same energy ordering for the two di-copper-oxygen-ammonia isomers as the previous multi-reference configuration interaction with single and double excitations methods. The new CB-MRPT2 method is shown to be a useful tool to study small to medium-sized systems.

  19. Acoustic Eigenvalues of a Quasispherical Resonator: Second Order Shape Perturbation Theory for Arbitrary Modes

    PubMed Central

    Mehl, James B.

    2007-01-01

    The boundary-shape formalism of Morse and Ingard is applied to the acoustic modes of a deformed spherical resonator (quasisphere) with rigid boundaries. For boundary shapes described by r = a [1 − ε ℱ(θ, ϕ)], where ε is a small scale parameter and ℱ is a function of order unity, the frequency perturbation is calculated to order ε2. The formal results apply to acoustic modes whose angular dependence is designated by the indices ℓ and m. Specific examples are worked out for the radial (ℓ = 0) and triplet (ℓ = 1) modes, for prolate and oblate spheroids, and for triaxial ellipsoids. The exact eigenvalues for the spheroids, and eigenvalue determined with finite-element calculations, are shown to agree with perturbation theory through terms of order ε2. This work is an extension of the author’s previous papers on the acoustic eigenfrequencies of deformed spherical resonators, which were limited to the second-order perturbation for radial modes [J. Acoust. Soc. Am. 71, 1109-1113 (1982)] and the first order-perturbation for arbitrary modes [J. Acoust. Soc. Am. 79, 278–285 (1986)]. PMID:27110463

  20. Acoustic Eigenvalues of a Quasispherical Resonator: Second Order Shape Perturbation Theory for Arbitrary Modes.

    PubMed

    Mehl, James B

    2007-01-01

    The boundary-shape formalism of Morse and Ingard is applied to the acoustic modes of a deformed spherical resonator (quasisphere) with rigid boundaries. For boundary shapes described by r = a [1 - ε ℱ(θ, ϕ)], where ε is a small scale parameter and ℱ is a function of order unity, the frequency perturbation is calculated to order ε (2). The formal results apply to acoustic modes whose angular dependence is designated by the indices ℓ and m. Specific examples are worked out for the radial (ℓ = 0) and triplet (ℓ = 1) modes, for prolate and oblate spheroids, and for triaxial ellipsoids. The exact eigenvalues for the spheroids, and eigenvalue determined with finite-element calculations, are shown to agree with perturbation theory through terms of order ε (2). This work is an extension of the author's previous papers on the acoustic eigenfrequencies of deformed spherical resonators, which were limited to the second-order perturbation for radial modes [J. Acoust. Soc. Am. 71, 1109-1113 (1982)] and the first order-perturbation for arbitrary modes [J. Acoust. Soc. Am. 79, 278-285 (1986)].

  1. Multireference second order perturbation theory with a simplified treatment of dynamical correlation.

    PubMed

    Xu, Enhua; Zhao, Dongbo; Li, Shuhua

    2015-10-13

    A multireference second order perturbation theory based on a complete active space configuration interaction (CASCI) function or density matrix renormalized group (DMRG) function has been proposed. This method may be considered as an approximation to the CAS/A approach with the same reference, in which the dynamical correlation is simplified with blocked correlated second order perturbation theory based on the generalized valence bond (GVB) reference (GVB-BCPT2). This method, denoted as CASCI-BCPT2/GVB or DMRG-BCPT2/GVB, is size consistent and has a similar computational cost as the conventional second order perturbation theory (MP2). We have applied it to investigate a number of problems of chemical interest. These problems include bond-breaking potential energy surfaces in four molecules, the spectroscopic constants of six diatomic molecules, the reaction barrier for the automerization of cyclobutadiene, and the energy difference between the monocyclic and bicyclic forms of 2,6-pyridyne. Our test applications demonstrate that CASCI-BCPT2/GVB can provide comparable results with CASPT2 (second order perturbation theory based on the complete active space self-consistent-field wave function) for systems under study. Furthermore, the DMRG-BCPT2/GVB method is applicable to treat strongly correlated systems with large active spaces, which are beyond the capability of CASPT2.

  2. Action approach to cosmological perturbations: the second-order metric in matter dominance

    SciTech Connect

    Boubekeur, Lotfi; Creminelli, Paolo; Vernizzi, Filippo; Norena, Jorge

    2008-08-15

    We study nonlinear cosmological perturbations during post-inflationary evolution, using the equivalence between a perfect barotropic fluid and a derivatively coupled scalar field with Lagrangian [-({partial_derivative}{phi}){sup 2}]{sup (1+w)/2w}. Since this Lagrangian is just a special case of k-inflation, this approach is analogous to the one employed in the study of non-Gaussianities from inflation. We use this method to derive the second-order metric during matter dominance in the comoving gauge directly as a function of the primordial inflationary perturbation {zeta}. Going to Poisson gauge, we recover the metric previously derived in the literature.

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

    SciTech Connect

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

    2006-08-15

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

  4. PIRLS 2016 Assessment Framework. 2nd Edition

    ERIC Educational Resources Information Center

    Mullis, Ina V. S., Ed.; Martin, Michael O., Ed.

    2015-01-01

    The "PIRLS 2016 Assessment Framework, 2nd Edition" provides the foundation for the three international assessments planned as part of the International Association for the Evaluation of Educational Achievement's Progress in International Reading Literacy Study (PIRLS) 2016: PIRLS, PIRLS Literacy, and ePIRLS. PIRLS represents the…

  5. Self-consistent second-order Green’s function perturbation theory for periodic systems

    SciTech Connect

    Rusakov, Alexander A. Zgid, Dominika

    2016-02-07

    Despite recent advances, systematic quantitative treatment of the electron correlation problem in extended systems remains a formidable task. Systematically improvable Green’s function methods capable of quantitatively describing weak and at least qualitatively strong correlations appear as promising candidates for computational treatment of periodic systems. We present a periodic implementation of temperature-dependent self-consistent 2nd-order Green’s function (GF2) method, where the self-energy is evaluated in the basis of atomic orbitals. Evaluating the real-space self-energy in atomic orbitals and solving the Dyson equation in k-space are the key components of a computationally feasible algorithm. We apply this technique to the one-dimensional hydrogen lattice — a prototypical crystalline system with a realistic Hamiltonian. By analyzing the behavior of the spectral functions, natural occupations, and self-energies, we claim that GF2 is able to recover metallic, band insulating, and at least qualitatively Mott regimes. We observe that the iterative nature of GF2 is essential to the emergence of the metallic and Mott phases.

  6. Exploring arbitrarily high orders of optimized perturbation theory in QCD with nf → 161/2

    NASA Astrophysics Data System (ADS)

    Stevenson, P. M.

    2016-09-01

    Perturbative QCD with nf flavours of massless quarks becomes simple in the hypothetical limit nf → 161/2, where the leading β-function coefficient vanishes. The Banks-Zaks (BZ) expansion in a0 ≡8/321 (161/2 -nf) is straightforward to obtain from perturbative results in MS ‾ or any renormalization scheme (RS) whose nf dependence is 'regular'. However, 'irregular' RS's are perfectly permissible and should ultimately lead to the same BZ results. We show here that the 'optimal' RS determined by the Principle of Minimal Sensitivity does yield the same BZ-expansion results when all orders of perturbation theory are taken into account. The BZ limit provides an arena for exploring optimized perturbation theory at arbitrarily high orders. These explorations are facilitated by a 'master equation' expressing the optimization conditions in the fixed-point limit. We find an intriguing strong/weak coupling duality a →a*2 / a about the fixed point a*.

  7. Second-order perturbation theory using correlated orbitals. I. Full-valence reference functions

    NASA Astrophysics Data System (ADS)

    Parisel, O.; Ellinger, Y.

    1994-11-01

    Recent developments of performant perturbation treatments on multiconfiguration wave functions have renewed interest in the coupling of variational and perturbative methods. In this communication it is shown that the choice of both the orbitals and the perturbation Hamiltonian to be used is as crucial as the choice of the reference space for obtaining accurate results. Møller-Plesset and Epstein-Nesbet perturbation series are applied to full-valence configuration interaction (FVCI) wave functions built on MCSCF (multi-configurational self-consistent field), FOCI (first-order configuration interaction) and SOCI (second-order configuration interaction) natural orbitals. Applications are presented for the following well-known systems: CH 2 (X 3B 1-a 1A 1), CH 2+ (X 2A 1, 1 2B 1, 1 2A 2, 1 2B 2), SiH 2 (X 1A 1, a 3B 1, A 1B 1) and NH 2 (X 2A 1, A 2B 1). The results are compared to the corresponding full configuration interaction (FCI) when available.

  8. Second-order perturbation theory using correlated orbitals. 1: Full-valence reference functions

    NASA Astrophysics Data System (ADS)

    Parisel, O.; Ellinger, Y.

    1994-11-01

    Recent developments of performant perturbation treatments on multiconfiguration wave functions have renewed interest in the coupling of variational and perturbative methods. In this communication it is shown that the choice of both the orbitals and the perturbation Hamiltonian to be used is as crucial as the choice of the reference space for obtaining accurate results. Moller-Plesset and Epstein-Nesbet perturbation series are applied to full-valence configuration interaction (FVCI) wave functions built on MCSCF (multi-configurational self-consistent field), FOCI (first-order configuration interaction) and SOCI (second-order configuration interaction) natural orbitals. Applications are presented for the following well-known systems: CH2(X(sup 3)B(sub 1) -a(sup 1)A(sub 1), CH2(+)(X(sup 2)A(sub 1), 1(sup 2)B(sub 1), 1(sup 2)A(sub 2), 1(sup 2)B(sub 2)), SiH2(X(sub 1)A(sub 1), a(sup 3)B(sub 1), A(sup 1)B(sub 1) and NH2(X(sup 2)A(sub 1), A(sup 2)B(sub 1)). The results are compared to the corresponding full configuration interaction (FCI) when available.

  9. Second-order many-body perturbation expansions of vibrational Dyson self-energies.

    PubMed

    Hermes, Matthew R; Hirata, So

    2013-07-21

    Second-order many-body perturbation theories for anharmonic vibrational frequencies and zero-point energies of molecules are formulated, implemented, and tested. They solve the vibrational Dyson equation self-consistently by taking into account the frequency dependence of the Dyson self-energy in the diagonal approximation, which is expanded in a diagrammatic perturbation series up to second order. Three reference wave functions, all of which are diagrammatically size consistent, are considered: the harmonic approximation and diagrammatic vibrational self-consistent field (XVSCF) methods with and without the first-order Dyson geometry correction, i.e., XVSCF[n] and XVSCF(n), where n refers to the truncation rank of the Taylor-series potential energy surface. The corresponding second-order perturbation theories, XVH2(n), XVMP2[n], and XVMP2(n), are shown to be rigorously diagrammatically size consistent for both total energies and transition frequencies, yield accurate results (typically within a few cm(-1) at n = 4 for water and formaldehyde) for both quantities even in the presence of Fermi resonance, and have access to fundamentals, overtones, and combinations as well as their relative intensities as residues of the vibrational Green's functions. They are implemented into simple algorithms that require only force constants and frequencies of the reference methods (with no basis sets, quadrature, or matrix diagonalization at any stage of the calculation). The rules for enumerating and algebraically interpreting energy and self-energy diagrams are elucidated in detail.

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

    SciTech Connect

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

    2015-12-01

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

  11. Second order classical perturbation theory for the sticking probability of heavy atoms scattered on surfaces.

    PubMed

    Sahoo, Tapas; Pollak, Eli

    2015-08-14

    A second order classical perturbation theory is developed to calculate the sticking probability of a particle scattered from an uncorrugated thermal surface. An analytic expression for the temperature dependent energy loss of the particle to the surface is derived by employing a one-dimensional generalized Langevin equation. The surface temperature reduces the energy loss, since the thermal surface transfers energy to the particle. Using a Gaussian energy loss kernel and the multiple collision theory of Fan and Manson [J. Chem. Phys. 130, 064703 (2009)], enables the determination of the fraction of particles trapped on the surface after subsequent momentum reversals of the colliding particle. This then leads to an estimate of the trapping probability. The theory is tested for the model scattering of Ar on a LiF(100) surface. Comparison with numerical simulations shows excellent agreement of the analytical theory with simulations, provided that the energy loss is determined by the second order perturbation theory.

  12. Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

    PubMed

    Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

    2016-07-12

    A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

  13. Determining the first order perturbation of a polyharmonic operator on admissible manifolds

    NASA Astrophysics Data System (ADS)

    Assylbekov, Yernat M.; Yang, Yang

    2017-01-01

    We consider the inverse boundary value problem for the first order perturbation of the polyharmonic operator L g , X , q, with X being a W 1 , ∞ vector field and q being an L∞ function on compact Riemannian manifolds with boundary which are conformally embedded in a product of the Euclidean line and a simple manifold. We show that the knowledge of the Dirichlet-to-Neumann map determines X and q uniquely. The method is based on the construction of complex geometrical optics solutions using the Carleman estimate for the Laplace-Beltrami operator due to Dos Santos Ferreira, Kenig, Salo and Uhlmann. Notice that the corresponding uniqueness result does not hold for the first order perturbation of the Laplace-Beltrami operator.

  14. Direct perturbation theory in terms of energy derivatives: scalar-relativistic treatment up to sixth order.

    PubMed

    Schwalbach, Werner; Stopkowicz, Stella; Cheng, Lan; Gauss, Jürgen

    2011-11-21

    A formulation of sixth-order direct perturbation theory (DPT) to treat relativistic effects in quantum-chemical calculations is presented in the framework of derivative theory. Detailed expressions for DPT6 are given at the Hartree-Fock level in terms of the third derivative of the energy with respect to the relativistic perturbation parameter defined as λ(rel)=c(-2). They were implemented for the computation of scalar-relativistic energy corrections. The convergence of the scalar-relativistic DPT expansion is studied for energies and first-order properties such as dipole moment and electric-field gradient within the series of the hydrogen halides (HX, X = F, Cl, Br, I, and At). Comparison with spin-free Dirac-Coulomb calculations indicates that the DPT series exhibits a smooth and monotonic convergence. The rate of convergence, however, depends on the charge of the involved nuclei and significantly slows down for heavy-element compounds.

  15. Bifurcation of limit cycles in 3rd-order Z2 Hamiltonian planar vector fields with 3rd-order perturbations

    NASA Astrophysics Data System (ADS)

    Yu, Pei; Han, Maoan

    2013-04-01

    In this paper, we show that a Z2-equivariant 3rd-order Hamiltonian planar vector fields with 3rd-order symmetric perturbations can have at least 10 limit cycles. The method combines the general perturbation to the vector field and the perturbation to the Hamiltonian function. The Melnikov function is evaluated near the center of vector field, as well as near homoclinic and heteroclinic orbits.

  16. Deriving Lindblad master equations with Keldysh diagrams: Correlated gain and loss in higher order perturbation theory

    NASA Astrophysics Data System (ADS)

    Müller, Clemens; Stace, Thomas M.

    2017-01-01

    Motivated by correlated decay processes producing gain, loss, and lasing in driven semiconductor quantum dots [Phys. Rev. Lett. 113, 036801 (2014), 10.1103/PhysRevLett.113.036801; Science 347, 285 (2015), 10.1126/science.aaa2501; Phys. Rev. Lett. 114, 196802 (2015), 10.1103/PhysRevLett.114.196802], we develop a theoretical technique by using Keldysh diagrammatic perturbation theory to derive a Lindblad master equation that goes beyond the usual second-order perturbation theory. We demonstrate the method on the driven dissipative Rabi model, including terms up to fourth order in the interaction between the qubit and both the resonator and environment. This results in a large class of Lindblad dissipators and associated rates which go beyond the terms that have previously been proposed to describe similar systems. All of the additional terms contribute to the system behavior at the same order of perturbation theory. We then apply these results to analyze the phonon-assisted steady-state gain of a microwave field driving a double quantum dot in a resonator. We show that resonator gain and loss are substantially affected by dephasing-assisted dissipative processes in the quantum-dot system. These additional processes, which go beyond recently proposed polaronic theories, are in good quantitative agreement with experimental observations.

  17. Medical museum, 2nd surgical hospital.

    PubMed

    Hawk, Alan J

    2013-12-01

    When his unit, the 2nd Surgical Hospital (MA), was established at An Khe in January 1966, MAJ Rich began collecting retrieved foreign bodies along with documentation of the wound. A museum displaying these objects was established at one end of the operating room Quonset hut. During Rich's tour of duty, there were 324 cases where the patient was wounded by a punji stick, representing 38% wounds because of hostile action.

  18. Relativistic corrections to electrical first-order properties using direct perturbation theory.

    PubMed

    Stopkowicz, Stella; Gauss, Jürgen

    2008-10-28

    Direct perturbation theory (DPT) is applied to compute relativistic corrections to electrical properties such as dipole moment, quadrupole moment, and electric-field gradient. The corrections are obtained as second derivatives of the energy and are given via method-independent expressions that involve the first derivative of the density matrix with respect to the relativistic perturbation as well as property integrals with additional momentum operators. Computational results obtained using Hartree-Fock (HF), second-order Moller-Plesset (MP2) perturbation theory, and the coupled-cluster singles and doubles approach augmented by a perturbative treatment of triple excitations are presented for the hydrogen halides HX with X=F, Cl, Br, (I, At) and the magnitude of relativistic effects, their basis-set dependence, and the limitations of DPT are discussed. We compare our results to those obtained using the second-order Douglas-Kroll method and benchmark them using four-component HF (Dirac-HF) and MP2 calculations. Relativistic effects are shown to be already important for elements of the third row (Na-Ar) when aiming at a high-accuracy quantum-chemical treatment. DPT provides reliable results for compounds containing elements up to the fourth period (K-Kr) and only breaks down when applied in lowest order to heavier elements. As a first application of the present DPT treatment for electrical properties, we report calculations for bromofluoromethane (CH(2)FBr) which was investigated using rotational spectroscopy by Cazzoli et al. [Mol. Phys. 106, 1181 (2008)] and for which consideration of relativistic effects turns out to be essential for good agreement between theory and experiment in the case of the bromine quadrupole-coupling constant.

  19. 2nd & 3rd Generation Vehicle Subsystems

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This paper contains viewgraph presentation on the "2nd & 3rd Generation Vehicle Subsystems" project. The objective behind this project is to design, develop and test advanced avionics, power systems, power control and distribution components and subsystems for insertion into a highly reliable and low-cost system for a Reusable Launch Vehicles (RLV). The project is divided into two sections: 3rd Generation Vehicle Subsystems and 2nd Generation Vehicle Subsystems. The following topics are discussed under the first section, 3rd Generation Vehicle Subsystems: supporting the NASA RLV program; high-performance guidance & control adaptation for future RLVs; Evolvable Hardware (EHW) for 3rd generation avionics description; Scaleable, Fault-tolerant Intelligent Network or X(trans)ducers (SFINIX); advance electric actuation devices and subsystem technology; hybrid power sources and regeneration technology for electric actuators; and intelligent internal thermal control. Topics discussed in the 2nd Generation Vehicle Subsystems program include: design, development and test of a robust, low-maintenance avionics with no active cooling requirements and autonomous rendezvous and docking systems; design and development of a low maintenance, high reliability, intelligent power systems (fuel cells and battery); and design of a low cost, low maintenance high horsepower actuation systems (actuators).

  20. Anti-Stokes luminescence in the light of second order perturbation theory

    SciTech Connect

    Bhattacharya, Rupak Pal, Bipul Bansal, Bhavtosh

    2014-11-10

    Anti-Stokes photoluminescence is measured in high-quality GaAs quantum wells. The primary pathway for interband optical absorption and hence emission under subbandgap photoexcitation is the optical phonon-mediated second-order electric dipole transition. This conclusion is drawn from the remarkable agreement between predictions of second-order perturbation calculation and the measured intensity of anti-Stokes photoluminescence, both as function of the detuning wavelength and temperature. The results are of direct relevance to laser cooling of solids where phonon-assisted upconversion is a necessary condition.

  1. Photoassociation of a cold-atom-molecule pair. II. Second-order perturbation approach

    SciTech Connect

    Lepers, M.; Vexiau, R.; Bouloufa, N.; Dulieu, O.; Kokoouline, V.

    2011-04-15

    The electrostatic interaction between an excited atom and a diatomic ground-state molecule in an arbitrary rovibrational level at large mutual separations is investigated with a general second-order perturbation theory, in the perspective of modeling the photoassociation between cold atoms and molecules. We find that the combination of quadrupole-quadrupole and van der Waals interactions competes with the rotational energy of the dimer, limiting the range of validity of the perturbative approach to distances larger than 100 Bohr radii. Numerical results are given for the long-range interaction between Cs and Cs{sub 2}, showing that the photoassociation is probably efficient for any Cs{sub 2} rotational energy.

  2. Testing higher-order Lagrangian perturbation theory against numerical simulation. 1: Pancake models

    NASA Technical Reports Server (NTRS)

    Buchert, T.; Melott, A. L.; Weiss, A. G.

    1993-01-01

    We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of quasi-linear scales. The Lagrangian theory of gravitational instability of an Einstein-de Sitter dust cosmogony investigated and solved up to the third order is compared with numerical simulations. In this paper we study the dynamics of pancake models as a first step. In previous work the accuracy of several analytical approximations for the modeling of large-scale structure in the mildly non-linear regime was analyzed in the same way, allowing for direct comparison of the accuracy of various approximations. In particular, the Zel'dovich approximation (hereafter ZA) as a subclass of the first-order Lagrangian perturbation solutions was found to provide an excellent approximation to the density field in the mildly non-linear regime (i.e. up to a linear r.m.s. density contrast of sigma is approximately 2). The performance of ZA in hierarchical clustering models can be greatly improved by truncating the initial power spectrum (smoothing the initial data). We here explore whether this approximation can be further improved with higher-order corrections in the displacement mapping from homogeneity. We study a single pancake model (truncated power-spectrum with power-spectrum with power-index n = -1) using cross-correlation statistics employed in previous work. We found that for all statistical methods used the higher-order corrections improve the results obtained for the first-order solution up to the stage when sigma (linear theory) is approximately 1. While this improvement can be seen for all spatial scales, later stages retain this feature only above a certain scale which is increasing with time. However, third-order is not much improvement over second-order at any stage. The total breakdown of the perturbation approach is observed at the stage, where sigma (linear theory) is approximately 2, which corresponds to the

  3. A higher order accurate solution decomposition scheme for a singularly perturbed parabolic reaction-diffusion equation

    NASA Astrophysics Data System (ADS)

    Shishkin, G. I.; Shishkina, L. P.

    2015-03-01

    An initial-boundary value problem is considered for a singularly perturbed parabolic reaction-diffusion equation. For this problem, a technique is developed for constructing higher order accurate difference schemes that converge ɛ-uniformly in the maximum norm (where ɛ is the perturbation parameter multiplying the highest order derivative, ɛ ∈ (0, 1]). A solution decomposition scheme is described in which the grid subproblems for the regular and singular solution components are considered on uniform meshes. The Richardson technique is used to construct a higher order accurate solution decomposition scheme whose solution converges ɛ-uniformly in the maximum norm at a rate of [InlineMediaObject not available: see fulltext.], where N + 1 and N 0 + 1 are the numbers of nodes in uniform meshes in x and t, respectively. Also, a new numerical-analytical Richardson scheme for the solution decomposition method is developed. Relying on the approach proposed, improved difference schemes can be constructed by applying the solution decomposition method and the Richardson extrapolation method when the number of embedded grids is more than two. These schemes converge ɛ-uniformly with an order close to the sixth in x and equal to the third in t.

  4. MULTIPOLE GRAVITATIONAL LENSING AND HIGH-ORDER PERTURBATIONS ON THE QUADRUPOLE LENS

    SciTech Connect

    Chu, Z.; Lin, W. P.; Li, G. L.; Kang, X. E-mail: linwp@shao.ac.cn

    2013-03-10

    An arbitrary surface mass density of the gravitational lens can be decomposed into multipole components. We simulate the ray tracing for the multipolar mass distribution of the generalized Singular Isothermal Sphere model based on deflection angles, which are analytically calculated. The magnification patterns in the source plane are then derived from an inverse shooting technique. As has been found, the caustics of odd mode lenses are composed of two overlapping layers for some lens models. When a point source traverses this kind of overlapping caustics, the image numbers change by {+-}4, rather than {+-}2. There are two kinds of caustic images. One is the critical curve and the other is the transition locus. It is found that the image number of the fold is exactly the average value of image numbers on two sides of the fold, while the image number of the cusp is equal to the smaller one. We also focus on the magnification patterns of the quadrupole (m = 2) lenses under the perturbations of m = 3, 4, and 5 mode components and found that one, two, and three butterfly or swallowtail singularities can be produced, respectively. With the increasing intensity of the high-order perturbations, the singularities grow up to bring sixfold image regions. If these perturbations are large enough to let two or three of the butterflies or swallowtails make contact, then eightfold or tenfold image regions can be produced as well. The possible astronomical applications are discussed.

  5. Axial couplings in heavy-hadron chiral perturbation theory at the next-to-leading order

    SciTech Connect

    Detmold, William; Lin, C.-J. David; Meinel, Stefan

    2011-11-01

    We present calculations of axial-current matrix elements between various heavy-meson and heavy-baryon states to the next-to-leading order in heavy-hadron chiral perturbation theory in the p-regime. When compared with data from lattice computations or experiments, these results can be used to determine the axial couplings in the chiral Lagrangian. Our calculation is performed in partially quenched chiral perturbation theory for both SU(4|2) and SU(6|3). We incorporate finite-size effects arising from a single Goldstone meson wrapping around the spatial volume. Results for full QCD with two and three flavors can be obtained straightforwardly by taking the sea-quark masses to be equal to the valence-quark masses. To illustrate the impact of our chiral perturbation theory calculation on lattice computations, we analyze the SU(2) full-QCD results in detail. We also study one-loop contributions relevant to the heavy-hadron strong-decay amplitudes involving final-state Goldstone bosons, and demonstrate that the quark-mass dependence of these amplitudes can be significantly different from that of the axial-current matrix elements containing only single-hadron external states.

  6. Second-Order Moller-Plesset Perturbation Theory for Molecular Dirac-Hartree-Fock Wave Functions

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.; Arnold, James O. (Technical Monitor)

    1994-01-01

    Moller-Plesset perturbation theory is developed to second order for a selection of Kramers restricted Dirac-Hartree-Fock closed and open-shell reference wave functions. The open-shell wave functions considered are limited to those with no more than two electrons in open shells, but include the case of a two-configuration SCF reference. Denominator shifts are included in the style of Davidson's OPT2 method. An implementation which uses unordered integrals with labels is presented, and results are given for a few test cases.

  7. Vibrational Constants for Triatomic Molecules from Fourth-Order Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Matthews, Devin A.; Gong, Justin Z.; Stanton, John F.

    2013-06-01

    The second vibrational anharmonicity constants (y_{ijk}) for general non-linear triatomic molecules as derived from fourth-order Rayleigh-Schrödinger perturbation theory (VPT4) are presented. The derived constants include all force field and Coriolis terms from the Watson Hamiltonian except for the pseudopotential. The basic theory of VPT4 is discussed, particularly with application to molecular constants, as well as the computational methods used to derive the specific constants. Finally, the constants are analyzed in the context of model systems such as Morse and double-well potentials.

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

    NASA Astrophysics Data System (ADS)

    Temsah, R.

    2008-01-01

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

  9. Complete Hamiltonian analysis of cosmological perturbations at all orders II: non-canonical scalar field

    NASA Astrophysics Data System (ADS)

    Nandi, Debottam; Shankaranarayanan, S.

    2016-10-01

    In this work, we present a consistent Hamiltonian analysis of cosmological perturbations for generalized non-canonical scalar fields. In order to do so, we introduce a new phase-space variable that is uniquely defined for different non-canonical scalar fields. We also show that this is the simplest and efficient way of expressing the Hamiltonian. We extend the Hamiltonian approach of [1] to non-canonical scalar field and obtain an unique expression of speed of sound in terms of phase-space variable. In order to invert generalized phase-space Hamilton's equations to Euler-Lagrange equations of motion, we prescribe a general inversion formulae and show that our approach for non-canonical scalar field is consistent. We also obtain the third and fourth order interaction Hamiltonian for generalized non-canonical scalar fields and briefly discuss the extension of our method to generalized Galilean scalar fields.

  10. Analysis of the Spectrum of CH3OOH Using Second-Order Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Dzugan, Laura C.; McCoy, Anne B.; Sinha, Amitabha; Matthews, Jamie

    2016-06-01

    In this study, we calculate the spectrum of the OH stretch overtone region in CH_3OOH using vibrational second-order perturbation theory. Comparison of the calculated to the experimental spectra shows very good agreement. With this in place, the goal of this study is to use second-order perturbation theory to investigate the following questions. To begin with, we explored the origins of the transition strength and found that both mechanical and electrical anharmonicities contribute to the overall intensity. Then we studied the amount of OO stretch and OH stretch character in the wavefunctions that correspond to the states that are accessed by the experiment. This is of interest because the VMP (vibrationally mediated photodissociation) action spectrum of CH_3OOH is obtained by detection of the OH radical following vibrational excitation of the overtones/combination bands and the subsequent photodissociation along the OO bond. Interestingly, OH is detected in its vibrationless state following excitation of the OH and CH stretch overtones and combination bands involving the OH stretch. In contrast, vibrationally excited OH is only detected following excitation of OH stretch overtones in methyl peroxide. To further understand the origins of the intensity in CH_3OOH, we also explored the effects of deuteration in the OH and CH overtone regions.

  11. Scalar and tensor perturbations in loop quantum cosmology: high-order corrections

    NASA Astrophysics Data System (ADS)

    Zhu, Tao; Wang, Anzhong; Cleaver, Gerald; Kirsten, Klaus; Sheng, Qin; Wu, Qiang

    2015-10-01

    Loop quantum cosmology (LQC) provides promising resolutions to the trans-Planckian issue and initial singularity arising in the inflationary models of general relativity. In general, due to different quantization approaches, LQC involves two types of quantum corrections, the holonomy and inverse-volume, to both of the cosmological background evolution and perturbations. In this paper, using the third-order uniform asymptotic approximations, we derive explicitly the observational quantities of the slow-roll inflation in the framework of LQC with these quantum corrections. We calculate the power spectra, spectral indices, and running of the spectral indices for both scalar and tensor perturbations, whereby the tensor-to-scalar ratio is obtained. We expand all the observables at the time when the inflationary mode crosses the Hubble horizon. As the upper error bounds for the uniform asymptotic approximation at the third-order are lesssim 0.15%, these results represent the most accurate results obtained so far in the literature. It is also shown that with the inverse-volume corrections, both scalar and tensor spectra exhibit a deviation from the usual shape at large scales. Then, using the Planck, BAO and SN data we obtain new constraints on quantum gravitational effects from LQC corrections, and find that such effects could be within the detection of the forthcoming experiments.

  12. Scalar and tensor perturbations in loop quantum cosmology: high-order corrections

    SciTech Connect

    Zhu, Tao; Wang, Anzhong; Wu, Qiang; Cleaver, Gerald; Kirsten, Klaus; Sheng, Qin E-mail: anzhong_wang@baylor.edu E-mail: klaus_kirsten@baylor.edu E-mail: wuq@zjut.edu.cn

    2015-10-01

    Loop quantum cosmology (LQC) provides promising resolutions to the trans-Planckian issue and initial singularity arising in the inflationary models of general relativity. In general, due to different quantization approaches, LQC involves two types of quantum corrections, the holonomy and inverse-volume, to both of the cosmological background evolution and perturbations. In this paper, using the third-order uniform asymptotic approximations, we derive explicitly the observational quantities of the slow-roll inflation in the framework of LQC with these quantum corrections. We calculate the power spectra, spectral indices, and running of the spectral indices for both scalar and tensor perturbations, whereby the tensor-to-scalar ratio is obtained. We expand all the observables at the time when the inflationary mode crosses the Hubble horizon. As the upper error bounds for the uniform asymptotic approximation at the third-order are ∼< 0.15%, these results represent the most accurate results obtained so far in the literature. It is also shown that with the inverse-volume corrections, both scalar and tensor spectra exhibit a deviation from the usual shape at large scales. Then, using the Planck, BAO and SN data we obtain new constraints on quantum gravitational effects from LQC corrections, and find that such effects could be within the detection of the forthcoming experiments.

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

    PubMed

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

    2008-09-04

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

  14. Quasidegenerate second-order perturbation corrections to single excitation configuration interaction

    NASA Astrophysics Data System (ADS)

    Head-Gordon, Martin

    1999-02-01

    A family of quasidegenerate second-order perturbation theories that correct excitation energies from single-excitation configuration interaction (CIS) are introduced which generalize the earlier non-degenerate second-order method, CIS(D). The new methods are termed CIS(D), where n ranges from 0 to x, according to the number of terms retained in a doubles denominator expansion. Truncation at either n = 0 or n = 1 yields methods which involve the diagonalization of a dressed singles-only response matrix, where the dressing is state-independent. Hence CIS(D0) and CIS(D1) can be implemented efficiently using semidirect methods, which are discussed. Test calculations on formaldehyde, ethylene, chlorine nitrate, styrene, benzaldehyde, and chalcone are presented to assess the performance of these methods. CIS(D0) and CIS(D1) both show significant improvements relative to CIS(D) in cases of near-degeneracy.

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

    NASA Astrophysics Data System (ADS)

    Ho, Hung-Cheuk

    2005-05-01

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

  16. Production and verification of a 2nd generation clonal group of Japanese flounder, Paralichthys olivaceus

    PubMed Central

    Hou, Jilun; Zhang, Xiaoyan; Wang, Yufen; Sun, Zhaohui; Si, Fei; Jiang, Xiufeng; Liu, Haijin

    2016-01-01

    Clonal fishes are useful tools in biology and aquaculture studies due to their isogenicity. In Japanese flounder (Paralichthys olivaceus), a group of homozygous clones was created by inducing meiogynogenesis in eggs from a mitogynogenetic homozygous diploid. As the clones reached sexual maturity, meiogynogenesis was again induced in order to produce a 2nd generation clonal group of Japanese flounder. After 3 months, there were 611 healthy, surviving individuals. Twenty-four microsatellite markers, that covered all the linkage groups of Japanese flounder, were used to identify the homozygosity of the 2nd generation clones; no heterozygous locus was detected. This indicates that the production of a 2nd generation clonal group of Japanese flounder was successful. Restriction-site DNA associated sequencing at the genomic level also confirmed the homozygosity and clonality of the 2nd generation clonal group. Furthermore, these 2nd generation clones had a small coefficient of variation for body shape indices at 210 days of age and showed a high degree of similarity in body characteristics among individuals. The successful production of 2nd generation clones has laid the foundation for the large-scale production of clonal Japanese flounder. PMID:27767055

  17. Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction

    NASA Astrophysics Data System (ADS)

    Casanova, David; Rhee, Young Min; Head-Gordon, Martin

    2008-04-01

    Scaled opposite spin (SOS) second order perturbative corrections to single excitation configuration interaction (CIS) are extended to correctly treat quasidegeneracies between excited states. Two viable methods, termed as SOS-CIS(D0) and SOS-CIS(D1), are defined, implemented, and tested. Each involves one empirical parameter (plus a second for the SOS-MP2 ground state), has computational cost that scales with the fourth power of molecule size, and has storage requirements that are cubic, with only quantities of the rank of single excitations produced and stored during iterations. Tests on a set of low-lying adiabatic valence excitation energies and vertical Rydberg excitations of organic and inorganic molecules show that the empirical parameter can be acceptably transferred from the corresponding nondegenerate perturbation theories without any further fitting. Further tests on higher excited states show that the new methods correctly perform for surface crossings for which nondegenerate approaches fail. Numerical results show that SOS-CIS(D0) appears to treat Rydberg excitations in a more balanced way than SOS-CIS(D1) and is, therefore, likely to be the preferred approach. It should be useful for exploring excited state geometries, transition structures, and conical intersections for states of medium to large organic molecules that are dominated by single excitations.

  18. 2nd International Planetary Probe Workshop

    NASA Technical Reports Server (NTRS)

    Venkatapathy, Ethiraj; Martinez, Ed; Arcadi, Marla

    2005-01-01

    Included are presentations from the 2nd International Planetary Probe Workshop. The purpose of the second workshop was to continue to unite the community of planetary scientists, spacecraft engineers and mission designers and planners; whose expertise, experience and interests are in the areas of entry probe trajectory and attitude determination, and the aerodynamics/aerothermodynamics of planetary entry vehicles. Mars lander missions and the first probe mission to Titan made 2004 an exciting year for planetary exploration. The Workshop addressed entry probe science, engineering challenges, mission design and instruments, along with the challenges of reconstruction of the entry, descent and landing or the aerocapture phases. Topics addressed included methods, technologies, and algorithms currently employed; techniques and results from the rich history of entry probe science such as PAET, Venera/Vega, Pioneer Venus, Viking, Galileo, Mars Pathfinder and Mars MER; upcoming missions such as the imminent entry of Huygens and future Mars entry probes; and new and novel instrumentation and methodologies.

  19. 2nd Generation RLV Risk Definition Program

    NASA Technical Reports Server (NTRS)

    Davis, Robert M.; Stucker, Mark (Technical Monitor)

    2000-01-01

    The 2nd Generation RLV Risk Reduction Mid-Term Report summarizes the status of Kelly Space & Technology's activities during the first two and one half months of the program. This report was presented to the cognoscente Contracting Officer's Technical Representative (COTR) and selected Marshall Space Flight Center staff members on 26 September 2000. The report has been approved and is distributed on CD-ROM (as a PowerPoint file) in accordance with the terms of the subject contract, and contains information and data addressing the following: (1) Launch services demand and requirements; (2) Architecture, alternatives, and requirements; (3) Costs, pricing, and business cases analysis; (4) Commercial financing requirements, plans, and strategy; (5) System engineering processes and derived requirements; and (6) RLV system trade studies and design analysis.

  20. Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

    SciTech Connect

    Zhou, Yun Pollak, Eli; Miret-Artés, Salvador

    2014-01-14

    A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to “soft” corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

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

    PubMed

    Ootani, Y; Maeda, H; Fukui, H

    2007-08-28

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

  2. Second-order power spectra of CMB anisotropies due to primordial random perturbations in flat cosmological models

    SciTech Connect

    Tomita, Kenji

    2008-05-15

    Second-order power spectra of cosmic microwave background (CMB) anisotropies due to random primordial perturbations at the matter-dominant stage are studied, based on the relativistic second-order theory of perturbations in flat cosmological models and on the second-order formula of CMB anisotropies derived by Mollerach and Matarrese. So far the second-order integrated Sachs-Wolfe effect has been analyzed using the three-point correlation or bispectrum. In this paper we derive the second-order term of power spectra given using the two-point correlation of temperature fluctuations. The second-order density perturbations are small, compared with the first-order ones. The second-order power spectra of CMB anisotropies, however, are not small at all, compared with the first-order power spectra, because at the early stage the first-order integrated Sachs-Wolfe effect is very small and the second-order integrated Sachs-Wolfe effect may be dominant over the first-order ones. So their characteristic behaviors may be measured through future precise observation and bring useful information on the structure and evolution of our universe in the future.

  3. Improving fast generation of halo catalogues with higher order Lagrangian perturbation theory

    NASA Astrophysics Data System (ADS)

    Munari, Emiliano; Monaco, Pierluigi; Sefusatti, Emiliano; Castorina, Emanuele; Mohammad, Faizan G.; Anselmi, Stefano; Borgani, Stefano

    2017-03-01

    We present the latest version of PINOCCHIO, a code that generates catalogues of dark matter haloes in an approximate but fast way with respect to an N-body simulation. This code version implements a new on-the-fly production of halo catalogue on the past light cone with continuous time sampling, and the computation of particle and halo displacements are extended up to third-order Lagrangian perturbation theory (LPT), in contrast with previous versions that used Zel'dovich approximation. We run PINOCCHIO on the same initial configuration of a reference N-body simulation, so that the comparison extends to the object-by-object level. We consider haloes at redshifts 0 and 1, using different LPT orders either for halo construction or to compute halo final positions. We compare the clustering properties of PINOCCHIO haloes with those from the simulation by computing the power spectrum and two-point correlation function in real and redshift space (monopole and quadrupole), the bispectrum and the phase difference of halo distributions. We find that 2LPT and 3LPT give noticeable improvement. 3LPT provides the best agreement with N-body when it is used to displace haloes, while 2LPT gives better results for constructing haloes. At the highest orders, linear bias is typically recovered at a few per cent level. In Fourier space and using 3LPT for halo displacements, the halo power spectrum is recovered to within 10 per cent up to kmax ∼ 0.5 h Mpc-1. The results presented in this paper have interesting implications for the generation of large ensemble of mock surveys for the scientific exploitation of data from big surveys.

  4. Analytical energy gradients for second-order multireference perturbation theory using density fitting.

    PubMed

    Győrffy, Werner; Shiozaki, Toru; Knizia, Gerald; Werner, Hans-Joachim

    2013-03-14

    We present algorithms for computing analytical energy gradients for multi-configuration self-consistent field methods and partially internally contracted complete active space second-order perturbation theory (CASPT2) using density fitting (DF). Our implementation is applicable to both single-state and multi-state CASPT2 analytical gradients. The accuracy of the new methods is demonstrated for structures and excitation energies of valence and Rydberg states of pyrrole, as well as for structures and adiabatic singlet-triplet energy splittings for the hydro-, the O,O(')-formato-, and the N,N(')-diiminato-copper-dioxygen complexes. It is shown that the effects of density fitting on optimized structures and relative energies are negligible. For cases in which the total cost is dominated by the integral evaluations and transformations, the DF-CASPT2 gradient calculations are found to be faster than the corresponding conventional calculations by typically a factor of three to five using triple-ζ basis sets, and by about a factor of ten using quadruple-ζ basis sets.

  5. A Second Order Expansion of the Separatrix Map for Trigonometric Perturbations of a Priori Unstable Systems

    NASA Astrophysics Data System (ADS)

    Guardia, M.; Kaloshin, V.; Zhang, J.

    2016-11-01

    In this paper we study a so-called separatrix map introduced by Zaslavskii-Filonenko (Sov Phys JETP 27:851-857, 1968) and studied by Treschev (Physica D 116(1-2):21-43, 1998; J Nonlinear Sci 12(1):27-58, 2002), Piftankin (Nonlinearity (19):2617-2644, 2006) Piftankin and Treshchëv (Uspekhi Mat Nauk 62(2(374)):3-108, 2007). We derive a second order expansion of this map for trigonometric perturbations. In Castejon et al. (Random iteration of maps of a cylinder and diffusive behavior. Preprint available at arXiv:1501.03319, 2015), Guardia and Kaloshin (Stochastic diffusive behavior through big gaps in a priori unstable systems (in preparation), 2015), and Kaloshin et al. (Normally Hyperbolic Invariant Laminations and diffusive behavior for the generalized Arnold example away from resonances. Preprint available at http://www.terpconnect.umd.edu/vkaloshi/, 2015), applying the results of the present paper, we describe a class of nearly integrable deterministic systems with stochastic diffusive behavior.

  6. 2nd Generation Reusable Launch Vehicle NASA Led Propulsion Tasks

    NASA Technical Reports Server (NTRS)

    Richards, Steve

    2000-01-01

    Design, development and test of a 2nd generation Reusable Launch Vehicle (RLV) is presented. This current paper discusses the following: 2nd Generation RLV Propulsion Project, Overview of NASA Led Tasks in Propulsion, Gen2 Turbo Machinery Technology Demonstrator, and Combustion Devices Test Bed, GRCop-84 Sheet For Combustion Chambers, Nozzles and Large Actively Cooled Structures

  7. Scaled Second Order Perturbation Corrections to Configuration Interaction Singles: Efficient and Reliable Excitation Energy Methods

    SciTech Connect

    Rhee, Young Min; Head-Gordon, Martin

    2007-02-01

    Two modifications of the perturbative doubles correction to configuration interaction with single substitutions (CIS(D)) are suggested, which are excited state analogs of ground state scaled second order Moeller-Plesset (MP2) methods. The first approach employs two parameters to scale the two spin components of the direct term of CIS(D), starting from the two-parameter spin-component scaled (SCS) MP2 ground state, and is termed SCS-CIS(D). An efficient resolution-of-the-identity (RI) implementation of this approach is described. The second approach employs a single parameter to scale only the opposite-spin direct term of CIS(D), starting from the one-parameter scaled opposite spin (SOS) MP2 ground state, and is called SOS-CIS(D). By utilizing auxiliary basis expansions and a Laplace transform, a fourth order algorithm for SOS-CIS(D) is described and implemented. The parameters describing SCS-CIS(D) and SOS-CIS(D) are optimized based on a training set including valence excitations of various organic molecules and Rydberg transitions of water and ammonia, and they significantly improve upon CIS(D) itself. The accuracy of the two methods is found to be comparable. This arises from a strong correlation between the same-spin and opposite-spin portions of the excitation energy terms. The methods are successfully applied to the zincbacteriochlorin-bacteriochlorin charge transfer transition, for which time-dependent density functional theory, with presently available exchange-correlation functionals, is known to fail. The methods are also successfully applied to describe various electronic transitions outside of the training set. The efficiency of SOS-CIS(D) and the auxiliary basis implementation of CIS(D) and SCS-CIS(D) are confirmed with a series of timing tests.

  8. Monte Carlo explicitly correlated second-order many-body perturbation theory

    NASA Astrophysics Data System (ADS)

    Johnson, Cole M.; Doran, Alexander E.; Zhang, Jinmei; Valeev, Edward F.; Hirata, So

    2016-10-01

    A stochastic algorithm is proposed and implemented that computes a basis-set-incompleteness (F12) correction to an ab initio second-order many-body perturbation energy as a short sum of 6- to 15-dimensional integrals of Gaussian-type orbitals, an explicit function of the electron-electron distance (geminal), and its associated excitation amplitudes held fixed at the values suggested by Ten-no. The integrals are directly evaluated (without a resolution-of-the-identity approximation or an auxiliary basis set) by the Metropolis Monte Carlo method. Applications of this method to 17 molecular correlation energies and 12 gas-phase reaction energies reveal that both the nonvariational and variational formulas for the correction give reliable correlation energies (98% or higher) and reaction energies (within 2 kJ mol-1 with a smaller statistical uncertainty) near the complete-basis-set limits by using just the aug-cc-pVDZ basis set. The nonvariational formula is found to be 2-10 times less expensive to evaluate than the variational one, though the latter yields energies that are bounded from below and is, therefore, slightly but systematically more accurate for energy differences. Being capable of using virtually any geminal form, the method confirms the best overall performance of the Slater-type geminal among 6 forms satisfying the same cusp conditions. Not having to precompute lower-dimensional integrals analytically, to store them on disk, or to transform them in a nonscalable dense-matrix-multiplication algorithm, the method scales favorably with both system size and computer size; the cost increases only as O(n4) with the number of orbitals (n), and its parallel efficiency reaches 99.9% of the ideal case on going from 16 to 4096 computer processors.

  9. Weak interaction for higher-order nonlinear Schrödinger equation: An application of soliton perturbation

    NASA Astrophysics Data System (ADS)

    Eskandar, S.; Hoseini, S. M.

    2017-04-01

    Using soliton perturbation theory, we analytically study weak interaction for a higher-order nonlinear Schrödinger equation. An ansatz consists of two well-separate single solitons is considered and slow variation of solitons parameters are found. Twelve different scenarios for when the initial velocities are zero are observed. A good comparison is found between numerical and analytical results.

  10. Canonical perturbation expansions to large order from classical hypervirial and Hellmann-Feynman theorems.

    NASA Astrophysics Data System (ADS)

    McRae, S. M.; Vrscay, E. R.

    1992-09-01

    The classical hypervirial and Hellmann-Feynman theorems are used to formulate a "perturbation theory without Fourier series" that can be used to generate canonical series expansions for the energies of perturbed periodic orbits for separable classical Hamiltonians. Here, the method is applied to one-dimensional anharmonic oscillators and radial Kepler problems. In all cases, the classical series for energies and expectation values are seen to correspond to the expansions associated with their quantum mechanical counterparts through an appropriate action preserving classical limit. This "action fixing" is inherent in the classical Hellmann-Feynman theorem applied to periodic orbits.

  11. Stirling engine design manual, 2nd edition

    NASA Technical Reports Server (NTRS)

    Martini, W. R.

    1983-01-01

    This manual is intended to serve as an introduction to Stirling cycle heat engines, as a key to the available literature on Stirling engines and to identify nonproprietary Stirling engine design methodologies. Two different fully described Stirling engines are discussed. Engine design methods are categorized as first order, second order, and third order with increased order number indicating increased complexity. FORTRAN programs are listed for both an isothermal second order design program and an adiabatic second order design program. Third order methods are explained and enumerated. In this second edition of the manual the references are updated. A revised personal and corporate author index is given and an expanded directory lists over 80 individuals and companies active in Stirling engines.

  12. 2ND FLOOR HALLWAY LOOKING EAST, NOTE PRESSED TIN CEILING ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    2ND FLOOR HALLWAY LOOKING EAST, NOTE PRESSED TIN CEILING - New York State Soldiers & Sailors Home, Building No. 29, Department of Veterans Affairs Medical Center, 76 Veterans Avenue, Bath, Steuben County, NY

  13. Solving singular perturbation problem of second order ordinary differential equation using the method of matched asymptotic expansion (MMAE)

    NASA Astrophysics Data System (ADS)

    Mohamed, Firdawati binti; Karim, Mohamad Faisal bin Abd

    2015-10-01

    Modelling physical problems in mathematical form yields the governing equations that may be linear or nonlinear for known and unknown boundaries. The exact solution for those equations may or may not be obtained easily. Hence we seek an analytical approximation solution in terms of asymptotic expansion. In this study, we focus on a singular perturbation in second order ordinary differential equations. Solutions to several perturbed ordinary differential equations are obtained in terms of asymptotic expansion. The aim of this work is to find an approximate analytical solution using the classical method of matched asymptotic expansion (MMAE). The Mathematica computer algebra system is used to perform the algebraic computations. The details procedures will be discussed and the underlying concepts and principles of the MMAE will be clarified. Perturbation problem for linear equation that occurs at one boundary and two boundary layers are discussed. Approximate analytical solution obtained for both cases are illustrated by graph using selected parameter by showing the outer, inner and composite solution separately. Then, the composite solution will be compare to the exact solution to show their accuracy by graph. By comparison, MMAE is found to be one of the best methods to solve singular perturbation problems in second order ordinary differential equation since the results obtained are very close to the exact solution.

  14. Molecular motors and the 2nd law of thermodynamics

    NASA Astrophysics Data System (ADS)

    Wang, Zhisong

    2014-03-01

    Molecular motors from biology and nanotechnology often operate on chemical energy of fuel molecules in an isothermal environment, unlike macroscopic heat engines that draw energy from a heat flow between two temperatures. Nevertheless, isothermal molecular motors are still subject to the 2nd law of thermodynamics in a fundamental way: their directional motion must cost a finite amount of energy other than the environmental heat even though no work is done; otherwise the 2nd law would be violated. Hence the 2nd law requires a finite energy price for pure direction of molecular motors. But what is the lowest price of direction allowed by the 2nd law? And how does the 2nd law-decreed price of direction limit performance of molecular motors? In the talk, I shall present our theoretical study of the 2nd law-molecular motor link on basis of the accumulated biomotor phenomenology, and also introduce our experimental effort to develop biomimetic DNA bipedal nanomotors following the mechanistic guidelines out of the theoretical study. [Main contents of this talk are from references:] This work is partially supported by FRC grants R-144-000-259-112, R-144-000-290-112 and R-144-000-320-112.

  15. A stable high-order perturbation of surfaces method for numerical simulation of diffraction problems in triply layered media

    NASA Astrophysics Data System (ADS)

    Hong, Youngjoon; Nicholls, David P.

    2017-02-01

    The accurate numerical simulation of linear waves interacting with periodic layered media is a crucial capability in engineering applications. In this contribution we study the stable and high-order accurate numerical simulation of the interaction of linear, time-harmonic waves with a periodic, triply layered medium with irregular interfaces. In contrast with volumetric approaches, High-Order Perturbation of Surfaces (HOPS) algorithms are inexpensive interfacial methods which rapidly and recursively estimate scattering returns by perturbation of the interface shape. In comparison with Boundary Integral/Element Methods, the stable HOPS algorithm we describe here does not require specialized quadrature rules, periodization strategies, or the solution of dense non-symmetric positive definite linear systems. In addition, the algorithm is provably stable as opposed to other classical HOPS approaches. With numerical experiments we show the remarkable efficiency, fidelity, and accuracy one can achieve with an implementation of this algorithm.

  16. Automatic Generation of Analytic Equations for Vibrational and Rovibrational Constants from Fourth-Order Vibrational Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Matthews, Devin A.; Gong, Justin Z.; Stanton, John F.

    2014-06-01

    The derivation of analytic expressions for vibrational and rovibrational constants, for example the anharmonicity constants χij and the vibration-rotation interaction constants α^B_r, from second-order vibrational perturbation theory (VPT2) can be accomplished with pen and paper and some practice. However, the corresponding quantities from fourth-order perturbation theory (VPT4) are considerably more complex, with the only known derivations by hand extensively using many layers of complicated intermediates and for rotational quantities requiring specialization to orthorhombic cases or the form of Watson's reduced Hamiltonian. We present an automatic computer program for generating these expressions with full generality based on the adaptation of an existing numerical program based on the sum-over-states representation of the energy to a computer algebra context. The measures taken to produce well-simplified and factored expressions in an efficient manner are discussed, as well as the framework for automatically checking the correctness of the generated equations.

  17. Monotonicity, frustration, and ordered response: an analysis of the energy landscape of perturbed large-scale biological networks

    PubMed Central

    2010-01-01

    Background For large-scale biological networks represented as signed graphs, the index of frustration measures how far a network is from a monotone system, i.e., how incoherently the system responds to perturbations. Results In this paper we find that the frustration is systematically lower in transcriptional networks (modeled at functional level) than in signaling and metabolic networks (modeled at stoichiometric level). A possible interpretation of this result is in terms of energetic cost of an interaction: an erroneous or contradictory transcriptional action costs much more than a signaling/metabolic error, and therefore must be avoided as much as possible. Averaging over all possible perturbations, however, we also find that unlike for transcriptional networks, in the signaling/metabolic networks the probability of finding the system in its least frustrated configuration tends to be high also in correspondence of a moderate energetic regime, meaning that, in spite of the higher frustration, these networks can achieve a globally ordered response to perturbations even for moderate values of the strength of the interactions. Furthermore, an analysis of the energy landscape shows that signaling and metabolic networks lack energetic barriers around their global optima, a property also favouring global order. Conclusion In conclusion, transcriptional and signaling/metabolic networks appear to have systematic differences in both the index of frustration and the transition to global order. These differences are interpretable in terms of the different functions of the various classes of networks. PMID:20537143

  18. Ladybugs of South Dakota, 2nd edition

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Images of the 80 species of Coccinellidae, commonly known as lady beetles, that occur in South Dakota are presented in taxonomic order. The second edition updates information, including the addition of a species new to South Dakota. Information on each species includes genus-species name, sub-fami...

  19. Jet algorithms in electron-positron annihilation: perturbative higher order predictions

    NASA Astrophysics Data System (ADS)

    Weinzierl, Stefan

    2011-02-01

    This article gives results on several jet algorithms in electron-positron annihilation: Considered are the exclusive sequential recombination algorithms Durham, Geneva, Jade-E0 and Cambridge, which are typically used in electron-positron annihilation. In addition also inclusive jet algorithms are studied. Results are provided for the inclusive sequential recombination algorithms Durham, Aachen and anti- k t , as well as the infrared-safe cone algorithm SISCone. The results are obtained in perturbative QCD and are N3LO for the two-jet rates, NNLO for the three-jet rates, NLO for the four-jet rates and LO for the five-jet rates.

  20. Feasible Perturbations of Control Systems with Pure State Constraints and Applications to Second-Order Optimality Conditions

    SciTech Connect

    Hoehener, Daniel

    2013-10-15

    We propose second-order necessary optimality conditions for optimal control problems with very general state and control constraints which hold true under weak regularity assumptions on the data. In particular the pure state constraints are general closed sets, the optimal control is supposed to be merely measurable and the dynamics may be discontinuous in the time variable as well. These results are obtained by an approach based on local perturbations of the reference process by second-order tangent directions. This method allows direct and quite simple proofs.

  1. BOOK REVIEW: Quantum Gravity (2nd edn)

    NASA Astrophysics Data System (ADS)

    Husain, Viqar

    2008-06-01

    There has been a flurry of books on quantum gravity in the past few years. The first edition of Kiefer's book appeared in 2004, about the same time as Carlo Rovelli's book with the same title. This was soon followed by Thomas Thiemann's 'Modern Canonical Quantum General Relativity'. Although the main focus of each of these books is non-perturbative and non-string approaches to the quantization of general relativity, they are quite orthogonal in temperament, style, subject matter and mathematical detail. Rovelli and Thiemann focus primarily on loop quantum gravity (LQG), whereas Kiefer attempts a broader introduction and review of the subject that includes chapters on string theory and decoherence. Kiefer's second edition attempts an even wider and somewhat ambitious sweep with 'new sections on asymptotic safety, dynamical triangulation, primordial black holes, the information-loss problem, loop quantum cosmology, and other topics'. The presentation of these current topics is necessarily brief given the size of the book, but effective in encapsulating the main ideas in some cases. For instance the few pages devoted to loop quantum cosmology describe how the mini-superspace reduction of the quantum Hamiltonian constraint of LQG becomes a difference equation, whereas the discussion of 'dynamical triangulations', an approach to defining a discretized Lorentzian path integral for quantum gravity, is less detailed. The first few chapters of the book provide, in a roughly historical sequence, the covariant and canonical metric variable approach to the subject developed in the 1960s and 70s. The problem(s) of time in quantum gravity are nicely summarized in the chapter on quantum geometrodynamics, followed by a detailed and effective introduction of the WKB approach and the semi-classical approximation. These topics form the traditional core of the subject. The next three chapters cover LQG, quantization of black holes, and quantum cosmology. Of these the chapter on LQG is

  2. Second-order resummed thermodynamic perturbation theory for central-force associating potential: Multi-patch colloidal models

    NASA Astrophysics Data System (ADS)

    Kalyuzhnyi, Y. V.; Marshall, B. D.; Chapman, W. G.; Cummings, P. T.

    2013-07-01

    We propose a second-order version of the resummed thermodynamic perturbation theory for patchy colloidal models with arbitrary number of multiply bondable patches. The model is represented by the hard-sphere fluid system with several attractive patches on the surface and resummation is carried out to account for blocking effects, i.e., when the bonding of a particle restricts (blocks) its ability to bond with other particles. The theory represents an extension of the earlier proposed first order resummed thermodynamic perturbation theory for central force associating potential and takes into account formation of the rings of the particles. In the limiting case of singly bondable patches (total blockage), the theory reduces to Wertheim thermodynamic perturbation theory for associating fluids. Closed-form expressions for the Helmholtz free energy, pressure, internal energy, and chemical potential of the model with an arbitrary number of equivalent doubly bondable patches are derived. Predictions of the theory for the model with two patches appears to be in a very good agreement with predictions of new NVT and NPT Monte Carlo simulations, including the region of strong association.

  3. Second-order resummed thermodynamic perturbation theory for central-force associating potential: multi-patch colloidal models.

    PubMed

    Kalyuzhnyi, Y V; Marshall, B D; Chapman, W G; Cummings, P T

    2013-07-28

    We propose a second-order version of the resummed thermodynamic perturbation theory for patchy colloidal models with arbitrary number of multiply bondable patches. The model is represented by the hard-sphere fluid system with several attractive patches on the surface and resummation is carried out to account for blocking effects, i.e., when the bonding of a particle restricts (blocks) its ability to bond with other particles. The theory represents an extension of the earlier proposed first order resummed thermodynamic perturbation theory for central force associating potential and takes into account formation of the rings of the particles. In the limiting case of singly bondable patches (total blockage), the theory reduces to Wertheim thermodynamic perturbation theory for associating fluids. Closed-form expressions for the Helmholtz free energy, pressure, internal energy, and chemical potential of the model with an arbitrary number of equivalent doubly bondable patches are derived. Predictions of the theory for the model with two patches appears to be in a very good agreement with predictions of new NVT and NPT Monte Carlo simulations, including the region of strong association.

  4. Gastrointestinal imaging in pediatrics, 2nd ed

    SciTech Connect

    Franken, E.A. Jr.; Smith, W.L.

    1982-01-01

    Gastrointestinal imaging in pediatrics is very different from its predecessor, gastrointestinal radiology in pediatrics, which was written eight years ago. The second edition is organized by anatomic area with supplemental chapters on special procedures (i.e., angiography, nuclear medicine, computerized axial tomography and ultrasonography). This volume contains 635 pages in contrast to the first edition which consisted of 323 pages. The arrangement of this volume is by anatomic area and not be clinical problem, therefore, the reader should have some background in pediatric radiology in order to find answers to specific questions.

  5. Nanosecond-pulse-controlled higher-order sideband comb in a GaAs optomechanical disk resonator in the non-perturbative regime

    SciTech Connect

    Xiong, Hao; Si, Liu-Gang; Lü, Xin-You; Yang, Xiaoxue; Wu, Ying

    2014-10-15

    We propose an interesting scheme for tunable high-order sideband comb generation by utilizing ultrastrong optomechanical interaction in a GaAs optomechanical disk resonator beyond the perturbative approximation. We analyze the nonlinear nature of the optomechanical interaction, and give a full description of the non-perturbative effects. It is shown, within the non-perturbative regime, that high-order sideband comb with large intensities can be realized and controlled in a GaAs optomechanical disk resonator with experimentally achievable system parameters, and the non-perturbative regime leads to rich and nontrivial behavior.

  6. The adenovirus type 2-simian virus 40 hybrid virus Ad2+ND4 requires deletion variants to grow in monkey cells.

    PubMed Central

    Lewis, A M; Westphal, H

    1983-01-01

    The Ad2+ND4 virus is an adenovirus type 2 (Ad2)-simian virus 40 (SV40) recombination. The Ad2 genome of this recombinant has a rearrangement within early region 3; Ad2 DNA sequences between map positions 81.3 and 85.5 have been deleted, and the SV40 DNA sequences between map positions 0.11 and 0.626 have been inserted into the deletion in an 81.3-0.626 orientation. Nonhybrid Ad2 is defective in monkey cells; however, the Ad2+ND4 virus can replicate in monkey cells due to the expression of the SV40-enhancing function encoded by the DNA insert. Stocks of the Ad2+ND4 hybrid were produced in primary monkey cells by using the progeny of a three-step plaque purification procedure and were considered to be homogeneous populations of Ad2+ND4 virions because they induced plaques in primary monkey cells by first-order kinetics. By studying the kinetics of plaque induction in continuous lines (BSC-1 and CV-1) of monkey cells, we have found that stocks (prepared with virions before and after plaque purification) of Ad2+ND4 are actually heterogeneous populations of Ad2+ND4 virions and Ad2+ND4 deletion variants that lack SV40 and frequently Ad2 DNA sequences at the left Ad2-SV40 junction. Due to the defectiveness of the Ad2+ND4 virus, the production of progeny in BSC-1 and CV-1 cells requires complementation between the Ad2+ND4 genome and the genome of an Ad2+ND4 deletion variant. Since the deletion variants that have been obtained from Ad2+ND4 stocks do not express the SV40-enhancing function in that they cannot produce progeny in monkey cells, we conclude that they are providing an Ad2 component that is essential for the production of Ad2+ND4 progeny. These data imply that the Ad2+ND4 virus is incapable of replicating in singly infected primary monkey cells without generating deletion variants that are missing various amounts of DNA around the left Ad2-SV40 junction in the hybrid genome. As the deletion variants that arise from the Ad2+ND4 virus are created by nonhomologous

  7. Graphical shapes of the 2nd type singularities of a 3-RR̠R planar mechanism

    NASA Astrophysics Data System (ADS)

    Buium, F.; Duca, C.; Doroftei, I.; Leohchi, D.

    2016-08-01

    This paper intends to discuss about singularity curves of 2nd type inside the workspace of a 3R̠RR planar parallel mechanism used as robot structure. In order to attain this goal we will use certain variation of the links dimensional parameters. This characterization of the mechanism singularities located inside mechanism workspace depends on the dimensional parameters and can be useful in mechanism designing accorded to some functional particularities in the sense that it can help in avoiding singular configurations.

  8. Idaho National Laboratory Quarterly Performance Analysis for the 2nd Quarter FY 2015

    SciTech Connect

    Mitchell, Lisbeth A.

    2015-04-01

    This report is published quarterly by the Idaho National Laboratory (INL) Quality and Performance Management Organization. The Department of Energy (DOE) Occurrence Reporting and Processing System (ORPS), as prescribed in DOE Order 232.2, “Occurrence Reporting and Processing of Operations Information,” requires a quarterly analysis of events, both reportable and not reportable, for the previous 12 months. This report is the analysis of events for the 2nd Qtr FY-15.

  9. [Health and environment: the 2nd public health revolution.].

    PubMed

    Cicolella, André

    2010-01-01

    As of the mid-19th century, most infectious disease epidemics have been fought and slowed down by taking action on the environment (water, housing, waste) and education. This constitutes the 1st public health revolution paradigm. As we face the current epidemic of chronic diseases and the failure of the dominant biomedical model to stop them, a 2nd public health revolution is needed. The vision for this 2nd public health revolution requires a new paradigm built upon an eco-systemic definition of health and the recognition of the legitimacy for citizen participation based on the precautionary principle.

  10. Second-order perturbation theory: The problem of infinite mode coupling

    NASA Astrophysics Data System (ADS)

    Miller, Jeremy; Wardell, Barry; Pound, Adam

    2016-11-01

    Second-order self-force computations, which will be essential in modeling extreme-mass-ratio inspirals, involve two major new difficulties that were not present at first order. One is the problem of large scales, discussed in Pound [Phys. Rev. D 92, 104047 (2015)]. Here we discuss the second difficulty, which occurs instead on small scales: if we expand the field equations in spherical harmonics, then because the first-order field contains a singularity, we require an arbitrarily large number of first-order modes to accurately compute even a single second-order mode. This is a generic feature of nonlinear field equations containing singularities, allowing us to study it in the simple context of a scalar toy model in flat space. Using that model, we illustrate the problem and demonstrate a robust strategy for overcoming it.

  11. Nuclear Energy Gradients for Internally Contracted Complete Active Space Second-Order Perturbation Theory: Multistate Extensions.

    PubMed

    Vlaisavljevich, Bess; Shiozaki, Toru

    2016-08-09

    We report the development of the theory and computer program for analytical nuclear energy gradients for (extended) multistate complete active space perturbation theory (CASPT2) with full internal contraction. The vertical shifts are also considered in this work. This is an extension of the fully internally contracted CASPT2 nuclear gradient program recently developed for a state-specific variant by us [MacLeod and Shiozaki, J. Chem. Phys. 2015, 142, 051103]; in this extension, the so-called λ equation is solved to account for the variation of the multistate CASPT2 energies with respect to the change in the amplitudes obtained in the preceding state-specific CASPT2 calculations, and the Z vector equations are modified accordingly. The program is parallelized using the MPI3 remote memory access protocol that allows us to perform efficient one-sided communication. The optimized geometries of the ground and excited states of a copper corrole and benzophenone are presented as numerical examples. The code is publicly available under the GNU General Public License.

  12. Covariant second-order perturbations in generalized two-field inflation

    SciTech Connect

    Tzavara, Eleftheria; Tent, Bartjan van; Mizuno, Shuntaro E-mail: Shuntaro.Mizuno@apc.univ-paris7.fr

    2014-07-01

    We examine the covariant properties of generalized models of two-field inflation, with non-canonical kinetic terms and a possibly non-trivial field metric. We demonstrate that kinetic-term derivatives and covariant field derivatives do commute in a proper covariant framework, which was not realized before in the literature. We also define a set of generalized slow-roll parameters, using a unified notation. Within this framework, we study the most general class of models that allows for well-defined adiabatic and entropic sound speeds, which we identify as the models with parallel momentum and field velocity vectors. For these models we write the exact cubic action in terms of the adiabatic and isocurvature perturbations. We thus provide the tool to calculate the exact non-Gaussianity beyond slow-roll and at any scale for these generalized models. We illustrate our general results by considering their long-wavelength limit, as well as with the example of two-field DBI inflation.

  13. Z-boson production in association with a jet at next-to-next-to-leading order in perturbative QCD

    DOE PAGES

    Boughezal, Radja; Campbell, John M.; Ellis, R. Keith; ...

    2016-04-14

    Here, we present the first complete calculation of Z-boson production in association with a jet in hadronic collisions through next-to-next-to-leading order in perturbative QCD. Our computation uses the recently proposed N-jettiness subtraction scheme to regulate the infrared divergences that appear in the real-emission contributions. We present phenomenological results for 13 TeV proton-proton collisions with fully realistic fiducial cuts on the final-state particles. The remaining theoretical uncertainties after the inclusion of our calculations are at the percent level, making the Z+jet channel ready for precision studies at the LHC run II.

  14. Z-Boson Production in Association with a Jet at Next-To-Next-To-Leading Order in Perturbative QCD.

    PubMed

    Boughezal, Radja; Campbell, John; Ellis, R Keith; Focke, Christfried; Giele, Walter; Liu, Xiaohui; Petriello, Frank

    2016-04-15

    We present the first complete calculation of Z-boson production in association with a jet in hadronic collisions through next-to-next-to-leading order in perturbative QCD. Our computation uses the recently proposed N-jettiness subtraction scheme to regulate the infrared divergences that appear in the real-emission contributions. We present phenomenological results for 13 TeV proton-proton collisions with fully realistic fiducial cuts on the final-state particles. The remaining theoretical uncertainties after the inclusion of our calculations are at the percent level, making the Z+jet channel ready for precision studies at the LHC run II.

  15. Effect of canted antiferromagnetic order on the electronic structure in the t-J* model within the cluster perturbation theory

    NASA Astrophysics Data System (ADS)

    Kuz'min, V. I.; Nikolaev, S. V.; Ovchinnikov, S. G.

    2016-09-01

    The electronic structure in the two-dimensional t-J* model with canted antiferromagnetic order in an external magnetic field has been calculated within the cluster perturbation theory. In zero external field, the evolution of the Fermi surface with n-type doping has been obtained in good agreement with experimental data on cuprate superconductors. It has been shown that the inclusion of short-range correlations can result in a nonmonotonic dependence of the spectral weight distribution at the Fermi level on the external magnetic field. In contrast to the case of electron doping, such changes in the case of hole doping can be expected at experimentally achievable fields.

  16. Estimates for the deviation of solutions and eigenfunctions of second-order elliptic Dirichlet boundary value problems under domain perturbation

    NASA Astrophysics Data System (ADS)

    Feleqi, Ermal

    2016-02-01

    Estimates in suitable Lebesgue or Sobolev norms for the deviation of solutions and eigenfunctions of second-order uniformly elliptic Dirichlet boundary value problems subject to domain perturbation in terms of natural distances between the domains are given. The main estimates are formulated via certain natural and easily computable "atlas" distances for domains with Lipschitz continuous boundaries. As a corollary, similar estimates in terms of more "classical" distances such as the Hausdorff distance or the Lebesgue measure of the symmetric difference of domains are derived. Sharper estimates are also proved to hold in smoother classes of domains.

  17. Perturbation method for the second-order nonlinear effect of focused acoustic field around a scatterer in an ideal fluid.

    PubMed

    Liu, Gang; Jayathilake, Pahala Gedara; Khoo, Boo Cheong

    2014-02-01

    Two nonlinear models are proposed to investigate the focused acoustic waves that the nonlinear effects will be important inside the liquid around the scatterer. Firstly, the one dimensional solutions for the widely used Westervelt equation with different coordinates are obtained based on the perturbation method with the second order nonlinear terms. Then, by introducing the small parameter (Mach number), a dimensionless formulation and asymptotic perturbation expansion via the compressible potential flow theory is applied. This model permits the decoupling between the velocity potential and enthalpy to second order, with the first potential solutions satisfying the linear wave equation (Helmholtz equation), whereas the second order solutions are associated with the linear non-homogeneous equation. Based on the model, the local nonlinear effects of focused acoustic waves on certain volume are studied in which the findings may have important implications for bubble cavitation/initiation via focused ultrasound called HIFU (High Intensity Focused Ultrasound). The calculated results show that for the domain encompassing less than ten times the radius away from the center of the scatterer, the non-linear effect exerts a significant influence on the focused high intensity acoustic wave. Moreover, at the comparatively higher frequencies, for the model of spherical wave, a lower Mach number may result in stronger nonlinear effects.

  18. The 2nd Generation Real Time Mission Monitor (RTMM) Development

    NASA Technical Reports Server (NTRS)

    Blakeslee, Richard; Goodman, Michael; Meyer, Paul; Hardin, Danny; Hall, John; He, Yubin; Regner, Kathryn; Conover, Helen; Smith, Tammy; Lu, Jessica; Garrett, Michelle

    2009-01-01

    The NASA Real Time Mission Monitor (RTMM) is a visualization and information system that fuses multiple Earth science data sources, to enable real time decisionmaking for airborne and ground validation experiments. Developed at the National Aeronautics and Space Administration (NASA) Marshall Space Flight Center, RTMM is a situational awareness, decision-support system that integrates satellite imagery and orbit data, radar and other surface observations (e.g., lightning location network data), airborne navigation and instrument data sets, model output parameters, and other applicable Earth science data sets. The integration and delivery of this information is made possible using data acquisition systems, network communication links, network server resources, and visualizations through the Google Earth virtual globe application. In order to improve the usefulness and efficiency of the RTMM system, capabilities are being developed to allow the end-user to easily configure RTMM applications based on their mission-specific requirements and objectives. This second generation RTMM is being redesigned to take advantage of the Google plug-in capabilities to run multiple applications in a web browser rather than the original single application Google Earth approach. Currently RTMM employs a limited Service Oriented Architecture approach to enable discovery of mission specific resources. We are expanding the RTMM architecture such that it will more effectively utilize the Open Geospatial Consortium Sensor Web Enablement services and other new technology software tools and components. These modifications and extensions will result in a robust, versatile RTMM system that will greatly increase flexibility of the user to choose which science data sets and support applications to view and/or use. The improvements brought about by RTMM 2nd generation system will provide mission planners and airborne scientists with enhanced decision-making tools and capabilities to more

  19. State derivative feedback in second-order linear systems: A comparative analysis of perturbed eigenvalues under coefficient variation

    NASA Astrophysics Data System (ADS)

    Araújo, José M.; Dórea, Carlos E. T.; Gonçalves, Luiz M. G.; Datta, Biswa N.

    2016-08-01

    This paper presents a comparative study of sensitivity to parameter variation in two feedback techniques applied in second-order linear systems: state feedback technique and the less conventional state derivative feedback technique. The former uses information on displacements and velocities whereas the latter uses velocities and accelerations. Several contributions on the problem of partial or full eigenvalue/eigenstructure assignment using the state feedback technique are presented in the literature. Recently, some interesting possibilities, such as solving the regularization problem in singular mass second-order systems, are approached using state derivative feedback. In this work, a general equivalence between state feedback and state derivative feedback is first established. Then, figures of merit on the resulting perturbed spectrum are proposed in order to assess the sensitivity of the closed-loop system to variations on the system matrices. Numerical examples are presented to support the obtained results.

  20. 15th order resonance terms using the decaying orbit of TETR-3. [perturbation due to gravitation

    NASA Technical Reports Server (NTRS)

    Wagner, C. A.; Klosko, S. M.

    1975-01-01

    Fifteenth-order commensurability of the orbit of TETR-3 (1971-83B) is studied. The study is designed to obtain good discrimination of 15th-order resonances through a better range of inclinations. The first low inclination orbit, 33 deg, is used for this purpose; it is very sensitive to the high degree terms which were rather poorly represented by previously analyzed orbits.

  1. Peripheral nucleon-nucleon scattering at fifth order of chiral perturbation theory

    NASA Astrophysics Data System (ADS)

    Entem, D. R.; Kaiser, N.; Machleidt, R.; Nosyk, Y.

    2015-01-01

    We present the two- and three-pion-exchange contributions to the nucleon-nucleon interaction which occur at next-to-next-to-next-to-next-to-leading order (N4LO , fifth order) of chiral effective field theory and calculate nucleon-nucleon scattering in peripheral partial waves with L ≥3 by using low-energy constants that were extracted from π N analysis at fourth order. While the net three-pion-exchange contribution is moderate, the two-pion exchanges turn out to be sizable and prevailingly repulsive, thus compensating the excessive attraction characteristic for next-to-next-to-leading order and N3LO . As a result, the N4LO predictions for the phase shifts of peripheral partial waves are in very good agreement with the data (with the only exception being the 1F3 wave). We also discuss the issue of the order-by-order convergence of the chiral expansion for the N N interaction.

  2. The chaos and order in human ECG under the influence of the external perturbations

    NASA Astrophysics Data System (ADS)

    Ragulskaya, Maria; Valeriy, Pipin

    The results of the many-year telecommunication heliomedical monitoring "Heliomed" show, that space weather and geophysical factor variations serve as a training factor for the adaptation-resistant member of the human population. Here we discuss the specific properties of the human ECG discovered in our experiment. The program "Heliomed" is carried out simultaneously at the different geographical areas that cover the different latitudes. The daily registered param-eters include: the psycho-emotional tests and the 1-st lead ECG, the arterial pressure, the variability cardiac contraction, the electric conduction of bioactive points on skin. The results time series compared with daily values of space weather and geomagnetic parameters. The analysis of ECG signal proceeds as follows. At first step we construct the ECG embedding into 3D phase space using the first 3 Principal Components of the ECG time series. Next, we divide ECG on the separate cycles using the maxima of the ECG's QRS complex. Then, we filter out the non-typical ECG beats by means of the Housdorff distance. Finally, we average the example of the ECG time series along the reference trajectory and study of the dynamical characteristics of the averaged ECG beat. It is found, that the ECG signal embeded in 3D phase space can be considered as a mix of a few states. At the rest, the occurrence of the primary ECG state compare to additional ones is about 8:2. The occurrence of the primary state increases after the stress. The main effect of the external perturbation is observed in structural change of the cardio-cycle and not in the variability of the R-R interval. The num-ber of none-typical cycles increase during an isolated magnetic storm. At the all monitoring centers participating experiment the same type of changes in the cardiac activity parameters is detected to go nearly simultaneously during an isolated magnetic storm. To understand the origin of the standard cardio-cycle changes we use the dynamical

  3. Test Review: The Profile of Mood States 2nd Edition

    ERIC Educational Resources Information Center

    Lin, Shuqiong; Hsiao, Yu-Yu; Wang, Miao

    2014-01-01

    The "Profile of Mood States 2nd Edition" (POMS 2) was published in 2012 by Multi-Health Systems (MHS) to assess transient feelings and mood among individuals aged 13 years and above. Evolving from the original POMS (McNair, Lorr, & Droppleman, 1971, 1992), the POMS 2 was designed for youth (13-17 years old) and adults (18 years old…

  4. Book Review: Bioassays with Arthropods: 2nd Edition

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The technical book "Bioassays with Arthropods: 2nd Edition" (2007. Jacqueline L. Robertson, Robert M. Russell, Haiganoush K, Preisler and N. E. Nevin, Eds. CRC Press, Boca Raton, FL, 224 pp.) was reviewed for the scientific readership of the peer-reviewed publication Journal of Economic Entomology. ...

  5. SrF2:Nd3+ laser fluoride ceramics.

    PubMed

    Basiev, T T; Doroshenko, M E; Konyushkin, V A; Osiko, V V

    2010-12-01

    SrF(2):Nd(3+) fluoride ceramics of high optical quality was prepared and its spectroscopic and laser properties investigated. Oscillations of different optical centers depending on the excitation wavelength were obtained with a slope efficiency of up to 19%.

  6. A Handbook for Classroom Instruction That Works, 2nd Edition

    ERIC Educational Resources Information Center

    Association for Supervision and Curriculum Development, 2012

    2012-01-01

    Perfect for self-help and professional learning communities, this handbook makes it much easier to apply the teaching practices from the ASCD-McREL best-seller "Classroom Instruction That Works: Research-Based Strategies for Increasing Student Achievement, 2nd Edition." The authors take you through the refined Instructional Planning Guide, so you…

  7. Quark mass relations to four-loop order in perturbative QCD.

    PubMed

    Marquard, Peter; Smirnov, Alexander V; Smirnov, Vladimir A; Steinhauser, Matthias

    2015-04-10

    We present results for the relation between a heavy quark mass defined in the on-shell and minimal subtraction (MS[over ¯]) scheme to four-loop order. The method to compute the four-loop on-shell integral is briefly described and the new results are used to establish relations between various short-distance masses and the MS[over ¯] quark mass to next-to-next-to-next-to-leading order accuracy. These relations play an important role in the accurate determination of the MS[over ¯] heavy quark masses.

  8. Statistical nature of non-Gaussianity from cubic order primordial perturbations: CMB map simulations and genus statistic

    SciTech Connect

    Chingangbam, Pravabati; Park, Changbom E-mail: cbp@kias.re.kr

    2009-12-01

    We simulate CMB maps including non-Gaussianity arising from cubic order perturbations of the primordial gravitational potential, characterized by the non-linearity parameter g{sub NL}. The maps are used to study the characteristic nature of the resulting non-Gaussian temperature fluctuations. We measure the genus and investigate how it deviates from Gaussian shape as a function of g{sub NL} and smoothing scale. We find that the deviation of the non-Gaussian genus curve from the Gaussian one has an antisymmetric, sine function like shape, implying more hot and more cold spots for g{sub NL} > 0 and less of both for g{sub NL} < 0. The deviation increases linearly with g{sub NL} and also exhibits mild increase as the smoothing scale increases. We further study other statistics derived from the genus, namely, the number of hot spots, the number of cold spots, combined number of hot and cold spots and the slope of the genus curve at mean temperature fluctuation. We find that these observables carry signatures of g{sub NL} that are clearly distinct from the quadratic order perturbations, encoded in the parameter f{sub NL}. Hence they can be very useful tools for distinguishing not only between non-Gaussian temperature fluctuations and Gaussian ones but also between g{sub NL} and f{sub NL} type non-Gaussianities.

  9. W-Boson Production in Association with a Jet at Next-to-Next-to-Leading Order in Perturbative QCD.

    PubMed

    Boughezal, Radja; Focke, Christfried; Liu, Xiaohui; Petriello, Frank

    2015-08-07

    We present the complete calculation of W-boson production in association with a jet in hadronic collisions through next-to-next-to-leading order (NNLO) in perturbative QCD. To cancel infrared divergences, we discuss a new subtraction method that exploits the fact that the N-jettiness event-shape variable fully captures the singularity structure of QCD amplitudes with final-state partons. This method holds for processes with an arbitrary number of jets and is easily implemented into existing frameworks for higher-order calculations. We present initial phenomenological results for W+jet production at the LHC. The NNLO corrections are small and lead to a significantly reduced theoretical error, opening the door to precision measurements in the W+jet channel at the LHC.

  10. Second-order many-body perturbation and coupled-cluster singles and doubles study of ice VIII

    SciTech Connect

    Gilliard, Kandis; Sode, Olaseni; Hirata, So

    2014-05-07

    The structure, equation of state, IR, Raman, and inelastic neutron scattering (INS) spectra of high-pressure, proton-ordered phase VIII of ice are calculated by the second-order many-body perturbation and coupled-cluster singles and doubles methods. Nearly all the observed features of the pressure-dependence of the structures and spectra are reproduced computationally up to 60 GPa insofar as the anharmonic effects can be neglected. The calculations display no sign of the hypothetical isostructural transition in 2–3 GPa to phase VIII{sup ′}, the existence of which has been a matter of controversy for over a decade, while they do not contradict the interpretation of the spectral anomaly at 10–14 GPa as a precursor of the VIII-X phase transition. The calculated INS spectra correct a systematic error in the peak positions of the observed spectra.

  11. Local explicitly correlated second-order Møller-Plesset perturbation theory with pair natural orbitals.

    PubMed

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

    2011-08-21

    We explore using a pair natural orbital analysis of approximate first-order pair functions as means to truncate the space of both virtual and complementary auxiliary orbitals in the context of explicitly correlated F12 methods using localised occupied orbitals. We demonstrate that this offers an attractive procedure and that only 10-40 virtual orbitals per significant pair are required to obtain second-order valence correlation energies to within 1-2% of the basis set limit. Moreover, for this level of virtual truncation, only 10-40 complementary auxiliary orbitals per pair are required for an accurate resolution of the identity in the computation of the three- and four-electron integrals that arise in explicitly correlated methods.

  12. Perturbation expansion and Nth order Fermi golden rule of the nonlinear Schrödinger equations

    NASA Astrophysics Data System (ADS)

    Zhou, Gang

    2007-05-01

    In this paper we consider generalized nonlinear Schrödinger equations with external potentials. We find the expressions for the fourth and the sixth order Fermi golden rules (FGRs), conjectured in Gang and Sigal [Rev. Math. Phys. 17, 1143-1207 (2005); Geom. Funct. Anal. 16, No. 7, 1377-1390 (2006)]. The FGR is a key condition in a study of the asymptotic dynamics of trapped solitons.

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

    NASA Astrophysics Data System (ADS)

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

    1981-08-01

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

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

    SciTech Connect

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

    2011-11-15

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

  15. Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

    SciTech Connect

    Gonthier, Jérôme F.; Corminboeuf, Clémence

    2014-04-21

    Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non

  16. Some phenomenological consequences of the time-ordered perturbation theory of QED on non-commutative spacetime

    NASA Astrophysics Data System (ADS)

    Liao, Y.; Dehne, C.

    2003-07-01

    A framework was recently proposed for doing perturbation theory on non-commutative (NC) spacetime. It preserves the unitarity of the S matrix and differs from the naive, popular approach already at the lowest order in perturbation when time does not commute with space. In this work, we investigate its phenomenological implications at linear colliders, especially the TESLA at DESY, through the processes of e^+e^-toμ^+μ^-,H^+H^-,H^0H^0. We find that some NC effects computed previously are now modified and that there are new processes which now exhibit NC effects. Indeed, the first two processes get corrected at tree level as opposed to the null result in the naive approach, while the third one coincides with the naive result only in the low energy limit. The impact of the earth's rotation is incorporated. The NC signals are generally significant when the NC scale is comparable to the collider energy. If this is not the case, the non-trivial azimuthal angle distribution and day-night asymmetry of events due to Lorentz violation and the earth's rotation will be useful in identifying signals. We also comment briefly on the high energy behavior of the cross section that grows linearly in the center of mass energy squared and argue that it does not necessarily contradict some statements, e.g., the Froissart-Martin bound, achieved in ordinary theory.

  17. The 2nd Generation Real Time Mission Monitor (RTMM) Development

    NASA Astrophysics Data System (ADS)

    Blakeslee, R. J.; Goodman, M.; Hardin, D. M.; Hall, J.; Yubin He, M.; Regner, K.; Conover, H.; Smith, T.; Meyer, P.; Lu, J.; Garrett, M.

    2009-12-01

    The NASA Real Time Mission Monitor (RTMM) is a visualization and information system that fuses multiple Earth science data sources, to enable real time decision-making for airborne and ground validation experiments. Developed at the National Aeronautics and Space Administration (NASA) Marshall Space Flight Center, RTMM is a situational awareness, decision-support system that integrates satellite imagery and orbit data, radar and other surface observations (e.g., lightning location network data), airborne navigation and instrument data sets, model output parameters, and other applicable Earth science data sets. The integration and delivery of this information is made possible using data acquisition systems, network communication links, network server resources, and visualizations through the Google Earth virtual globe application. In order to improve the usefulness and efficiency of the RTMM system, capabilities are being developed to allow the end-user to easily configure RTMM applications based on their mission-specific requirements and objectives. This second generation RTMM is being redesigned to take advantage of the Google plug-in capabilities to run multiple applications in a web browser rather than the original single application Google Earth approach. Currently RTMM employs a limited Service Oriented Architecture approach to enable discovery of mission specific resources. We are expanding the RTMM architecture such that it will more effectively utilize the Open Geospatial Consortium Sensor Web Enablement services and other new technology software tools and components. These modifications and extensions will result in a robust, versatile RTMM system that will greatly increase flexibility of the user to choose which science data sets and support applications to view and/or use. The improvements brought about by RTMM 2nd generation system will provide mission planners and airborne scientists with enhanced decision-making tools and capabilities to more

  18. Reduced-order model based active disturbance rejection control of hydraulic servo system with singular value perturbation theory.

    PubMed

    Wang, Chengwen; Quan, Long; Zhang, Shijie; Meng, Hongjun; Lan, Yuan

    2017-03-01

    Hydraulic servomechanism is the typical mechanical/hydraulic double-dynamics coupling system with the high stiffness control and mismatched uncertainties input problems, which hinder direct applications of many advanced control approaches in the hydraulic servo fields. In this paper, by introducing the singular value perturbation theory, the original double-dynamics coupling model of the hydraulic servomechanism was reduced to a integral chain system. So that, the popular ADRC (active disturbance rejection control) technology could be directly applied to the reduced system. In addition, the high stiffness control and mismatched uncertainties input problems are avoided. The validity of the simplified model is analyzed and proven theoretically. The standard linear ADRC algorithm is then developed based on the obtained reduced-order model. Extensive comparative co-simulations and experiments are carried out to illustrate the effectiveness of the proposed method.

  19. KICKSTARTING REIONIZATION WITH THE FIRST BLACK HOLES: THE EFFECTS OF SECOND-ORDER PERTURBATION THEORY IN PRE-REIONIZATION VOLUMES

    SciTech Connect

    Holley-Bockelmann, Kelly; Sinha, Manodeep; Wise, John H. E-mail: manodeep.sinha@vanderbilt.edu

    2012-12-10

    We explore structure formation in the dark ages (z {approx} 30-6) using two well-known methods for initializing cosmological N-body simulations. Overall, both the Zel'dovich approximation and second-order Lagrangian perturbation theory (2LPT) are known to produce accurate present-day dark matter halo mass functions. However, since the 2LPT method drives more rapid evolution of dense regions, it increases the occurrence of rare massive objects-an effect that is most pronounced at high redshift. We find that 2LPT produces more halos that could harbor Population III stars and their black hole remnants, and they produce them earlier. Although the differences between the 2LPT and Zel'dovich approximation mass functions are nearly erased by z = 6, this small boost to the number and mass of black holes more than doubles the reionized volume of the early universe. We discuss the implications for reionization and massive black hole growth.

  20. Second-order perturbative corrections to the restricted active space configuration interaction with the hole and particle approach

    SciTech Connect

    Casanova, David

    2014-04-14

    Second-order corrections to the restricted active space configuration interaction (RASCI) with the hole and particle truncation of the excitation operator are developed. Theoretically, the computational cost of the implemented perturbative approach, abbreviated as RASCI(2), grows like its single reference counterpart in MP2. Two different forms of RASCI(2) have been explored, that is the generalized Davidson-Kapuy and the Epstein-Nesbet partitions of the Hamiltonian. The preliminary results indicate that the use of energy level shift of a few tenths of a Hartree might systematically improve the accuracy of the RASCI(2) energies. The method has been tested in the computation of the ground state energy profiles along the dissociation of the hydrogen fluoride and N{sub 2} molecules, the computation of correlation energy in the G2/97 molecular test set, and in the computation of excitation energies to low-lying states in small organic molecules.

  1. An effective energy gradient expression for divide-and-conquer second-order Møller-Plesset perturbation theorya)

    NASA Astrophysics Data System (ADS)

    Kobayashi, Masato; Nakai, Hiromi

    2013-01-01

    We recently proposed a linear-scaling evaluation scheme for the second-order Møller-Plesset perturbation (MP2) energy based on the divide-and-conquer (DC) method [M. Kobayashi, Y. Imamura, and H. Nakai, J. Chem. Phys. 127, 074103 (2007), 10.1063/1.2761878]. In this paper, we propose an approximate but effective expression for the first derivative of the DC-MP2 energy. The present scheme evaluates the one- and two-body density matrices, which appear in the MP2 gradient formula, in the DC manner; that is, the entire matrix is obtained as the sum of subsystem matrices masked by the partition matrix. Therefore, the method requires solving only the local Z-vector equations. Illustrative applications to three types of systems, peptides, Si surface model, and delocalized polyenes, reveal the effectiveness of the present method.

  2. Quantum mechanical/molecular mechanical/continuum style solvation model: Second order Møller-Plesset perturbation theory

    SciTech Connect

    Thellamurege, Nandun M.; Si, Dejun; Cui, Fengchao; Li, Hui

    2014-05-07

    A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths of the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant.

  3. The correlation function for density perturbations in an expanding universe. III The three-point and predictions of the four-point and higher order correlation functions

    NASA Technical Reports Server (NTRS)

    Mcclelland, J.; Silk, J.

    1978-01-01

    Higher-order correlation functions for the large-scale distribution of galaxies in space are investigated. It is demonstrated that the three-point correlation function observed by Peebles and Groth (1975) is not consistent with a distribution of perturbations that at present are randomly distributed in space. The two-point correlation function is shown to be independent of how the perturbations are distributed spatially, and a model of clustered perturbations is developed which incorporates a nonuniform perturbation distribution and which explains the three-point correlation function. A model with hierarchical perturbations incorporating the same nonuniform distribution is also constructed; it is found that this model also explains the three-point correlation function, but predicts different results for the four-point and higher-order correlation functions than does the model with clustered perturbations. It is suggested that the model of hierarchical perturbations might be explained by the single assumption of having density fluctuations or discrete objects all of the same mass randomly placed at some initial epoch.

  4. A linear- and sublinear-scaling method for calculating NMR shieldings in atomic orbital-based second-order Møller-Plesset perturbation theory.

    PubMed

    Maurer, Marina; Ochsenfeld, Christian

    2013-05-07

    An atomic-orbital (AO) based formulation for calculating nuclear magnetic resonance chemical shieldings at the second-order Møller-Plesset perturbation theory level is introduced, which provides a basis for reducing the scaling of the computational effort with the molecular size from the fifth power to linear and for a specific nucleus to sublinear. The latter sublinear scaling in the rate-determining steps becomes possible by avoiding global perturbations with respect to the magnetic field and by solving for quantities that involve the local nuclear magnetic spin perturbation instead. For avoiding the calculation of the second-order perturbed density matrix, we extend our AO-based reformulation of the Z-vector method within a density matrix-based scheme. Our pilot implementation illustrates the fast convergence with respect to the required number of Laplace points and the asymptotic scaling behavior in the rate-determining steps.

  5. An energy decomposition analysis for second-order Møller-Plesset perturbation theory based on absolutely localized molecular orbitals.

    PubMed

    Thirman, Jonathan; Head-Gordon, Martin

    2015-08-28

    An energy decomposition analysis (EDA) of intermolecular interactions is proposed for second-order Møller-Plesset perturbation theory (MP2) based on absolutely localized molecular orbitals (ALMOs), as an extension to a previous ALMO-based EDA for self-consistent field methods. It decomposes the canonical MP2 binding energy by dividing the double excitations that contribute to the MP2 wave function into classes based on how the excitations involve different molecules. The MP2 contribution to the binding energy is decomposed into four components: frozen interaction, polarization, charge transfer, and dispersion. Charge transfer is defined by excitations that change the number of electrons on a molecule, dispersion by intermolecular excitations that do not transfer charge, and polarization and frozen interactions by intra-molecular excitations. The final two are separated by evaluations of the frozen, isolated wave functions in the presence of the other molecules, with adjustments for orbital response. Unlike previous EDAs for electron correlation methods, this one includes components for the electrostatics, which is vital as adjustment to the electrostatic behavior of the system is in some cases the dominant effect of the treatment of electron correlation. The proposed EDA is then applied to a variety of different systems to demonstrate that all proposed components behave correctly. This includes systems with one molecule and an external electric perturbation to test the separation between polarization and frozen interactions and various bimolecular systems in the equilibrium range and beyond to test the rest of the EDA. We find that it performs well on these tests. We then apply the EDA to a halogen bonded system to investigate the nature of the halogen bond.

  6. An energy decomposition analysis for second-order Møller–Plesset perturbation theory based on absolutely localized molecular orbitals

    SciTech Connect

    Thirman, Jonathan Head-Gordon, Martin

    2015-08-28

    An energy decomposition analysis (EDA) of intermolecular interactions is proposed for second-order Møller–Plesset perturbation theory (MP2) based on absolutely localized molecular orbitals (ALMOs), as an extension to a previous ALMO-based EDA for self-consistent field methods. It decomposes the canonical MP2 binding energy by dividing the double excitations that contribute to the MP2 wave function into classes based on how the excitations involve different molecules. The MP2 contribution to the binding energy is decomposed into four components: frozen interaction, polarization, charge transfer, and dispersion. Charge transfer is defined by excitations that change the number of electrons on a molecule, dispersion by intermolecular excitations that do not transfer charge, and polarization and frozen interactions by intra-molecular excitations. The final two are separated by evaluations of the frozen, isolated wave functions in the presence of the other molecules, with adjustments for orbital response. Unlike previous EDAs for electron correlation methods, this one includes components for the electrostatics, which is vital as adjustment to the electrostatic behavior of the system is in some cases the dominant effect of the treatment of electron correlation. The proposed EDA is then applied to a variety of different systems to demonstrate that all proposed components behave correctly. This includes systems with one molecule and an external electric perturbation to test the separation between polarization and frozen interactions and various bimolecular systems in the equilibrium range and beyond to test the rest of the EDA. We find that it performs well on these tests. We then apply the EDA to a halogen bonded system to investigate the nature of the halogen bond.

  7. An energy decomposition analysis for second-order Møller-Plesset perturbation theory based on absolutely localized molecular orbitals

    NASA Astrophysics Data System (ADS)

    Thirman, Jonathan; Head-Gordon, Martin

    2015-08-01

    An energy decomposition analysis (EDA) of intermolecular interactions is proposed for second-order Møller-Plesset perturbation theory (MP2) based on absolutely localized molecular orbitals (ALMOs), as an extension to a previous ALMO-based EDA for self-consistent field methods. It decomposes the canonical MP2 binding energy by dividing the double excitations that contribute to the MP2 wave function into classes based on how the excitations involve different molecules. The MP2 contribution to the binding energy is decomposed into four components: frozen interaction, polarization, charge transfer, and dispersion. Charge transfer is defined by excitations that change the number of electrons on a molecule, dispersion by intermolecular excitations that do not transfer charge, and polarization and frozen interactions by intra-molecular excitations. The final two are separated by evaluations of the frozen, isolated wave functions in the presence of the other molecules, with adjustments for orbital response. Unlike previous EDAs for electron correlation methods, this one includes components for the electrostatics, which is vital as adjustment to the electrostatic behavior of the system is in some cases the dominant effect of the treatment of electron correlation. The proposed EDA is then applied to a variety of different systems to demonstrate that all proposed components behave correctly. This includes systems with one molecule and an external electric perturbation to test the separation between polarization and frozen interactions and various bimolecular systems in the equilibrium range and beyond to test the rest of the EDA. We find that it performs well on these tests. We then apply the EDA to a halogen bonded system to investigate the nature of the halogen bond.

  8. Comparing Vibrationally Averaged Nuclear Shielding Constants by Quantum Diffusion Monte Carlo and Second-Order Perturbation Theory.

    PubMed

    Ng, Yee-Hong; Bettens, Ryan P A

    2016-03-03

    Using the method of modified Shepard's interpolation to construct potential energy surfaces of the H2O, O3, and HCOOH molecules, we compute vibrationally averaged isotropic nuclear shielding constants ⟨σ⟩ of the three molecules via quantum diffusion Monte Carlo (QDMC). The QDMC results are compared to that of second-order perturbation theory (PT), to see if second-order PT is adequate for obtaining accurate values of nuclear shielding constants of molecules with large amplitude motions. ⟨σ⟩ computed by the two approaches differ for the hydrogens and carbonyl oxygen of HCOOH, suggesting that for certain molecules such as HCOOH where big displacements away from equilibrium happen (internal OH rotation), ⟨σ⟩ of experimental quality may only be obtainable with the use of more sophisticated and accurate methods, such as quantum diffusion Monte Carlo. The approach of modified Shepard's interpolation is also extended to construct shielding constants σ surfaces of the three molecules. By using a σ surface with the equilibrium geometry as a single data point to compute isotropic nuclear shielding constants for each descendant in the QDMC ensemble representing the ground state wave function, we reproduce the results obtained through ab initio computed σ to within statistical noise. Development of such an approach could thereby alleviate the need for any future costly ab initio σ calculations.

  9. Ab initio effective rotational and rovibrational Hamiltonians for non-rigid systems via curvilinear second order vibrational Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Changala, P. Bryan; Baraban, Joshua H.

    2016-11-01

    We present a perturbative method for ab initio calculations of rotational and rovibrational effective Hamiltonians of both rigid and non-rigid molecules. Our approach is based on a curvilinear implementation of second order vibrational Møller-Plesset perturbation theory extended to include rotational effects via a second order contact transformation. Though more expensive, this approach is significantly more accurate than standard second order vibrational perturbation theory for systems that are poorly described to zeroth order by rectilinear normal mode harmonic oscillators. We apply this method to and demonstrate its accuracy on two molecules: Si2C, a quasilinear triatomic with significant bending anharmonicity, and CH3NO2, which contains a completely unhindered methyl rotor. In addition to these two examples, we discuss several key technical aspects of the method, including an efficient implementation of Eckart and quasi-Eckart frame embedding that does not rely on numerical finite differences.

  10. Ab initio effective rotational and rovibrational Hamiltonians for non-rigid systems via curvilinear second order vibrational Møller-Plesset perturbation theory.

    PubMed

    Changala, P Bryan; Baraban, Joshua H

    2016-11-07

    We present a perturbative method for ab initio calculations of rotational and rovibrational effective Hamiltonians of both rigid and non-rigid molecules. Our approach is based on a curvilinear implementation of second order vibrational Møller-Plesset perturbation theory extended to include rotational effects via a second order contact transformation. Though more expensive, this approach is significantly more accurate than standard second order vibrational perturbation theory for systems that are poorly described to zeroth order by rectilinear normal mode harmonic oscillators. We apply this method to and demonstrate its accuracy on two molecules: Si2C, a quasilinear triatomic with significant bending anharmonicity, and CH3NO2, which contains a completely unhindered methyl rotor. In addition to these two examples, we discuss several key technical aspects of the method, including an efficient implementation of Eckart and quasi-Eckart frame embedding that does not rely on numerical finite differences.

  11. Effects of Thermal Cycling on Control and Irradiated EPC 2nd Generation GaN FETs

    NASA Technical Reports Server (NTRS)

    Patterson, Richard L.; Scheick, Leif; Lauenstein, Jean-Marie; Casey, Megan; Hammoud, Ahmad

    2013-01-01

    The power systems for use in NASA space missions must work reliably under harsh conditions including radiation, thermal cycling, and exposure to extreme temperatures. Gallium nitride semiconductors show great promise, but information pertaining to their performance is scarce. Gallium nitride N-channel enhancement-mode field effect transistors made by EPC Corporation in a 2nd generation of manufacturing were exposed to radiation followed by long-term thermal cycling in order to address their reliability for use in space missions. Results of the experimental work are presented and discussed.

  12. VLT interferometer upgrade for the 2nd generation of interferometric instruments

    NASA Astrophysics Data System (ADS)

    Gonté, Frederic; Woillez, Julien; Schuhler, Nicolas; Egner, Sebastian; Merand, Antoine; Abad, José Antonio; Abadie, Sergio; Abuter, Roberto; Acuña, Margarita; Allouche, Fatmé; Alonso, Jaime; Andolfalto, Luigi; Antonelli, Pierre; Avila, Gerardo; Barriga, Pablo José; Beltran, Juan; Berger, Jean-Philippe; Bolados, Carlos; Bonnet, Henri; Bourget, Pierre; Brast, Roland; Bristow, Paul; Caniguante, Luis; Castillo, Roberto; Conzelmann, Ralf; Cortes, Angela; Delplancke, Françoise; Del Valle, Diego; Derie, Frederic; Diaz, Alvaro; Donoso, Reinaldo; Dorn, Reinhold; Duhoux, Philippe; Dupuy, Christophe; Eisenhauer, Frank; Elao, Christian; Fuenteseca, Eloy; Fernandez, Ruben; Gaytan, Daniel; Glindemann, Andreas; Gonzales, Jaime; Guieu, Sylvain; Guisard, Stephane; Haguenauer, Pierre; Haimerl, Andreas; Heinz, Volker; Henriquez, Juan Pablo; van der Heyden, P.; Hubin, Norbert; Huerta, Rodrigo; Jochum, Lieselotte; Leiva, Alfredo; Lévêque, Samuel; Lizon, Jean-Louis; Luco, Fernando; Mardones, Pedro; Mellado, Angel; Osorio, Juan; Ott, Jürgen; Pallanca, Laurent; Pavez, Marcus; Pasquini, Luca; Percheron, Isabelle; Pirard, Jean-Francois; Than Phan, Duc; Pineda, Juan Carlos; Pino, Andres; Poupar, Sebastien; Ramírez, Andres; Reinero, Claudio; Riquelme, Miguel; Romero, Juan; Rivinius, Thomas; Rojas, Chester; Rozas, Felix; Salgado, Fernando; Scheithauer, Silvia; Schmid, Christian; Schöller, Markus; Siclari, Waldo; Stephan, Christian; Tamblay, Richard; Tapia, Mario; Tristram, Konrad; Valdes, Guillermo; de Wit, Willem-Jan; Wright, Andrew; Zins, Gerard

    2016-08-01

    ESO is undertaking a large upgrade of the infrastructure on Cerro Paranal in order to integrate the 2nd generation of interferometric instruments Gravity and MATISSE, and increase its performance. This upgrade started mid 2014 with the construction of a service station for the Auxiliary Telescopes and will end with the implementation of the adaptive optics system for the Auxiliary telescope (NAOMI) in 2018. This upgrade has an impact on the infrastructure of the VLTI, as well as its sub-systems and scientific instruments.

  13. Monolithic Microwave Integrated Circuit (MMIC) Frequency Doublers - 2nd Pass Correction

    DTIC Science & Technology

    2013-09-01

    Monolithic Microwave Integrated Circuit (MMIC) Frequency Doublers—2nd Pass Correction by John E. Penn ARL-TN-0580 September 2013...September 2013 Monolithic Microwave Integrated Circuit (MMIC) Frequency Doublers—2nd Pass Correction John E. Penn Sensors and Electron...COVERED (From - To) 4. TITLE AND SUBTITLE Monolithic Microwave Integrated Circuit (MMIC) Frequency Doublers–2nd Pass Correction 5a. CONTRACT NUMBER

  14. Attenuated second order Møller-Plesset perturbation theory: correcting finite basis set errors and infinite basis set inaccuracies

    NASA Astrophysics Data System (ADS)

    Goldey, Matthew; Head-Gordon, Martin

    2015-03-01

    Second order Møller-Plesset perturbation theory (MP2) in finite basis sets describes several classes of noncovalent interactions poorly due to basis set superposition error (BSSE) and underlying inaccurate physics for dispersion interactions. Attenuation of the Coulomb operator provides a direct path toward improving MP2 for noncovalent interactions. In limited basis sets, we demonstrate improvements in accuracy for intermolecular interactions with a three to five-fold reduction in RMS errors. For a range of inter- and intermolecular test cases, attenuated MP2 even outperforms complete basis set estimates of MP2. Finite basis attenuated MP2 is useful for inter- and intramolecular interactions where higher cost approaches are intractable. Extending this approach, recent research pairs attenuated MP2 with long-range correction to describe potential energy landscapes, and further results for large systems with noncovalent interactions are shown. This work was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We acknowledge computational resources obtained under NSF Award CHE-1048789.

  15. Closely approximating second-order Moeller-Plesset perturbation theory with a local triatomics in molecules model

    SciTech Connect

    Lee, Michael S.; Maslen, Paul E.; Head-Gordon, Martin

    2000-02-22

    A new ansatz for local electron correlation is introduced, which truncates double substitutions subject to a triatomics in molecules (TRIM) criterion. TRIM includes all double substitutions in which one occupied-virtual substitution is atomic while the other substitution can be nonlocal (a cubic number, before cutoffs). With an additional approximation, the TRIM second-order Moeller-Plesset perturbation theory (MP2) model can be noniteratively solved; this is the model that is implemented. Results are shown for absolute energies of alkane and polyene chains, rotational barriers of substituted ethylenes and benzenes, and association energies of the water and neon dimers. Over 99.7% of the untruncated MP2 energy is recovered for the test cases, and the relative energies of small systems are in error by less than 0.1 kcal/mol. By contrast, a diatomics in molecules (DIM) truncation recovers about 95% of the full MP2 energy, and yields errors several times larger for relative energies. (c) 2000 American Institute of Physics.

  16. Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2)

    NASA Astrophysics Data System (ADS)

    Menezes, Filipe; Kats, Daniel; Werner, Hans-Joachim

    2016-09-01

    We present a CASPT2 method which exploits local approximations to achieve linear scaling of the computational effort with the molecular size, provided the active space is small and local. The inactive orbitals are localized, and the virtual space for each electron pair is spanned by a domain of pair-natural orbitals (PNOs). The configuration space is internally contracted, and the PNOs are defined for uniquely defined orthogonal pairs. Distant pair energies are obtained by multipole approximations, so that the number of configurations that are explicitly treated in the CASPT2 scales linearly with molecular size (assuming a constant active space). The PNOs are generated using approximate amplitudes obtained in a pair-specific semi-canonical basis of projected atomic orbitals (PAOs). The evaluation and transformation of the two-electron integrals use the same parallel local density fitting techniques as recently described for linear-scaling PNO-LMP2 (local second-order Møller-Plesset perturbation theory). The implementation of the amplitude equations, which are solved iteratively, employs the local integrated tensor framework. The efficiency and accuracy of the method are tested for excitation energies and correlation energies. It is demonstrated that the errors introduced by the local approximations are very small. They can be well controlled by few parameters for the distant pair approximation, initial PAO domains, and the PNO domains.

  17. Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2).

    PubMed

    Menezes, Filipe; Kats, Daniel; Werner, Hans-Joachim

    2016-09-28

    We present a CASPT2 method which exploits local approximations to achieve linear scaling of the computational effort with the molecular size, provided the active space is small and local. The inactive orbitals are localized, and the virtual space for each electron pair is spanned by a domain of pair-natural orbitals (PNOs). The configuration space is internally contracted, and the PNOs are defined for uniquely defined orthogonal pairs. Distant pair energies are obtained by multipole approximations, so that the number of configurations that are explicitly treated in the CASPT2 scales linearly with molecular size (assuming a constant active space). The PNOs are generated using approximate amplitudes obtained in a pair-specific semi-canonical basis of projected atomic orbitals (PAOs). The evaluation and transformation of the two-electron integrals use the same parallel local density fitting techniques as recently described for linear-scaling PNO-LMP2 (local second-order Møller-Plesset perturbation theory). The implementation of the amplitude equations, which are solved iteratively, employs the local integrated tensor framework. The efficiency and accuracy of the method are tested for excitation energies and correlation energies. It is demonstrated that the errors introduced by the local approximations are very small. They can be well controlled by few parameters for the distant pair approximation, initial PAO domains, and the PNO domains.

  18. Application of Gaussian-type geminals in local second-order Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Polly, Robert; Werner, Hans-Joachim; Dahle, Pa˚L.; Taylor, Peter R.

    2006-06-01

    In this work Gaussian-type Geminals (GTGs) are applied in local second-order Møller-Plesset perturbation theory to improve the basis set convergence. Our implementation is based on the weak orthogonality functional of Szalewicz et al., [Chem. Phys. Lett. 91, 169 (1982); J. Chem. Phys. 78, 1420 (1983)] and a newly developed program for calculating the necessary many-electron integrals. The local approximations together with GTGs in the treatment of the correlation energy are introduced and tested. First results for correlation energies of H2O, CH4, CO, C2H2, C2H4, H2CO, and N2H4 as well as some reaction and activation energies are presented. More than 97% of the valence-shell correlation energy is recovered using aug-cc-pVDZ basis sets and six GTGs per electron pair. The results are compared with conventional calculations using correlation-consistent basis sets as well as with MP2-R12 results.

  19. 2nd Generation RLV: Program Goals and Acquisition Strategy

    NASA Technical Reports Server (NTRS)

    Graham, J. Bart; Dumbacher, D. L. (Technical Monitor)

    2001-01-01

    The risk to loss of life for Space Shuttle crewmembers is approximately one in 245 missions. U.S. launch service providers captured nearly 100%, of the commercial launch market revenues in the mid 1980s. Today, the U.S. captures less than 50% of that market. A launch system architecture is needed that will dramatically increase the safety of space flight while significantly reducing the cost. NASA's Space Launch Initiative, which is implemented by the 2nd Generation RLV Program Office at Marshall Space Flight Center, seeks to develop technology and reusable launch vehicle concepts which satisfy the commercial launch market needs and the unique needs of NASA. Presented in this paper are the five primary elements of NASA's Integrated Space Transportation Plan along with the highest level goals and the acquisition strategy of the 2nd Generation RLV Program. Approval of the Space Launch Initiative FY01 budget of $290M is seen as a major commitment by the Agency and the Nation to realize the commercial potential that space offers and to move forward in the exploration of space.

  20. Systems Engineering Approach to Technology Integration for NASA's 2nd Generation Reusable Launch Vehicle

    NASA Technical Reports Server (NTRS)

    Thomas, Dale; Smith, Charles; Thomas, Leann; Kittredge, Sheryl

    2002-01-01

    The overall goal of the 2nd Generation RLV Program is to substantially reduce technical and business risks associated with developing a new class of reusable launch vehicles. NASA's specific goals are to improve the safety of a 2nd generation system by 2 orders of magnitude - equivalent to a crew risk of 1-in-10,000 missions - and decrease the cost tenfold, to approximately $1,000 per pound of payload launched. Architecture definition is being conducted in parallel with the maturating of key technologies specifically identified to improve safety and reliability, while reducing operational costs. An architecture broadly includes an Earth-to-orbit reusable launch vehicle, on-orbit transfer vehicles and upper stages, mission planning, ground and flight operations, and support infrastructure, both on the ground and in orbit. The systems engineering approach ensures that the technologies developed - such as lightweight structures, long-life rocket engines, reliable crew escape, and robust thermal protection systems - will synergistically integrate into the optimum vehicle. To best direct technology development decisions, analytical models are employed to accurately predict the benefits of each technology toward potential space transportation architectures as well as the risks associated with each technology. Rigorous systems analysis provides the foundation for assessing progress toward safety and cost goals. The systems engineering review process factors in comprehensive budget estimates, detailed project schedules, and business and performance plans, against the goals of safety, reliability, and cost, in addition to overall technical feasibility. This approach forms the basis for investment decisions in the 2nd Generation RLV Program's risk-reduction activities. Through this process, NASA will continually refine its specialized needs and identify where Defense and commercial requirements overlap those of civil missions.

  1. Systems Engineering Approach to Technology Integration for NASA's 2nd Generation Reusable Launch Vehicle

    NASA Technical Reports Server (NTRS)

    Thomas, Dale; Smith, Charles; Thomas, Leann; Kittredge, Sheryl

    2002-01-01

    The overall goal of the 2nd Generation RLV Program is to substantially reduce technical and business risks associated with developing a new class of reusable launch vehicles. NASA's specific goals are to improve the safety of a 2nd-generation system by 2 orders of magnitude - equivalent to a crew risk of 1-in-10,000 missions - and decrease the cost tenfold, to approximately $1,000 per pound of payload launched. Architecture definition is being conducted in parallel with the maturating of key technologies specifically identified to improve safety and reliability, while reducing operational costs. An architecture broadly includes an Earth-to-orbit reusable launch vehicle, on-orbit transfer vehicles and upper stages, mission planning, ground and flight operations, and support infrastructure, both on the ground and in orbit. The systems engineering approach ensures that the technologies developed - such as lightweight structures, long-life rocket engines, reliable crew escape, and robust thermal protection systems - will synergistically integrate into the optimum vehicle. To best direct technology development decisions, analytical models are employed to accurately predict the benefits of each technology toward potential space transportation architectures as well as the risks associated with each technology. Rigorous systems analysis provides the foundation for assessing progress toward safety and cost goals. The systems engineering review process factors in comprehensive budget estimates, detailed project schedules, and business and performance plans, against the goals of safety, reliability, and cost, in addition to overall technical feasibility. This approach forms the basis for investment decisions in the 2nd Generation RLV Program's risk-reduction activities. Through this process, NASA will continually refine its specialized needs and identify where Defense and commercial requirements overlap those of civil missions.

  2. Life Cycle Systems Engineering Approach to NASA's 2nd Generation Reusable Launch Vehicle

    NASA Technical Reports Server (NTRS)

    Thomas, Dale; Smith, Charles; Safie, Fayssal; Kittredge, Sheryl

    2002-01-01

    The overall goal of the 2nd Generation RLV Program is to substantially reduce technical and business risks associated with developing a new class of reusable launch vehicles. NASA's specific goals are to improve the safety of a 2nd- generation system by 2 orders of magnitude - equivalent to a crew risk of 1 -in- 10,000 missions - and decrease the cost tenfold, to approximately $1,000 per pound of payload launched. Architecture definition is being conducted in parallel with the maturating of key technologies specifically identified to improve safety and reliability, while reducing operational costs. An architecture broadly includes an Earth-to-orbit reusable launch vehicle, on-orbit transfer vehicles and upper stages, mission planning, ground and flight operations, and support infrastructure, both on the ground and in orbit. The systems engineering approach ensures that the technologies developed - such as lightweight structures, long-life rocket engines, reliable crew escape, and robust thermal protection systems - will synergistically integrate into the optimum vehicle. Given a candidate architecture that possesses credible physical processes and realistic technology assumptions, the next set of analyses address the system's functionality across the spread of operational scenarios characterized by the design reference missions. The safety/reliability and cost/economics associated with operating the system will also be modeled and analyzed to answer the questions "How safe is it?" and "How much will it cost to acquire and operate?" The systems engineering review process factors in comprehensive budget estimates, detailed project schedules, and business and performance plans, against the goals of safety, reliability, and cost, in addition to overall technical feasibility. This approach forms the basis for investment decisions in the 2nd Generation RLV Program's risk-reduction activities. Through this process, NASA will continually refine its specialized needs and

  3. Symbolic derivation of high-order Rayleigh-Schroedinger perturbation energies using computer algebra: Application to vibrational-rotational analysis of diatomic molecules

    SciTech Connect

    Herbert, John M.

    1997-01-01

    Rayleigh-Schroedinger perturbation theory is an effective and popular tool for describing low-lying vibrational and rotational states of molecules. This method, in conjunction with ab initio techniques for computation of electronic potential energy surfaces, can be used to calculate first-principles molecular vibrational-rotational energies to successive orders of approximation. Because of mathematical complexities, however, such perturbation calculations are rarely extended beyond the second order of approximation, although recent work by Herbert has provided a formula for the nth-order energy correction. This report extends that work and furnishes the remaining theoretical details (including a general formula for the Rayleigh-Schroedinger expansion coefficients) necessary for calculation of energy corrections to arbitrary order. The commercial computer algebra software Mathematica is employed to perform the prohibitively tedious symbolic manipulations necessary for derivation of generalized energy formulae in terms of universal constants, molecular constants, and quantum numbers. As a pedagogical example, a Hamiltonian operator tailored specifically to diatomic molecules is derived, and the perturbation formulae obtained from this Hamiltonian are evaluated for a number of such molecules. This work provides a foundation for future analyses of polyatomic molecules, since it demonstrates that arbitrary-order perturbation theory can successfully be applied with the aid of commercially available computer algebra software.

  4. PREFACE: 2nd International Meeting for Researchers in Materials and Plasma Technology

    NASA Astrophysics Data System (ADS)

    Niño, Ely Dannier V.

    2013-11-01

    These proceedings present the written contributions of the participants of the 2nd International Meeting for Researchers in Materials and Plasma Technology, 2nd IMRMPT, which was held from February 27 to March 2, 2013 at the Pontificia Bolivariana Bucaramanga-UPB and Santander and Industrial - UIS Universities, Bucaramanga, Colombia, organized by research groups from GINTEP-UPB, FITEK-UIS. The IMRMPT, was the second version of biennial meetings that began in 2011. The three-day scientific program of the 2nd IMRMPT consisted in 14 Magisterial Conferences, 42 Oral Presentations and 48 Poster Presentations, with the participation of undergraduate and graduate students, professors, researchers and entrepreneurs from Colombia, Russia, France, Venezuela, Brazil, Uruguay, Argentina, Peru, Mexico, United States, among others. Moreover, the objective of IMRMPT was to bring together national and international researchers in order to establish scientific cooperation in the field of materials science and plasma technology; introduce new techniques of surface treatment of materials to improve properties of metals in terms of the deterioration due to corrosion, hydrogen embrittlement, abrasion, hardness, among others; and establish cooperation agreements between universities and industry. The topics covered in the 2nd IMRMPT include New Materials, Surface Physics, Laser and Hybrid Processes, Characterization of Materials, Thin Films and Nanomaterials, Surface Hardening Processes, Wear and Corrosion / Oxidation, Modeling, Simulation and Diagnostics, Plasma Applications and Technologies, Biomedical Coatings and Surface Treatments, Non Destructive Evaluation and Online Process Control, Surface Modification (Ion Implantation, Ion Nitriding, PVD, CVD). The editors hope that those interested in the are of materials science and plasma technology, enjoy the reading that reflect a wide range of topics. It is a pleasure to thank the sponsors and all the participants and contributors for

  5. Quantum mechanical reaction probability of triplet ketene at the multireference second-order perturbation level of theory.

    PubMed

    Ogihara, Yusuke; Yamamoto, Takeshi; Kato, Shigeki

    2010-09-23

    Triplet ketene exhibits a steplike structure in the experimentally observed dissociation rates, but its mechanism is still unknown despite many theoretical efforts in the past decades. In this paper we revisit this problem by quantum mechanically calculating the reaction probability with multireference-based electronic structure theory. Specifically, we first construct an analytical potential energy surface of triplet state by fitting it to about 6000 ab initio energies computed at the multireference second-order Mller-Plesset perturbation (MRMP2) level. We then evaluate the cumulative reaction probability by using the transition state wave packet method together with an adiabatically constrained Hamiltonian. The result shows that the imaginary barrier frequency on the triplet surface is 328i cm-1, which is close to the CCSD(T) result (321i cm-1) but is likely too large for reproducing the experimentally observed steps. Indeed, our calculated reaction probability exhibits no signature of steps, reflecting too strong tunneling effect along the reaction coordinate. Nevertheless, it is emphasized that the flatness of the potential profile in the transition-state region (which governs the degree of tunneling) depends strongly on the level of electronic structure calculation, thus leaving some possibility that the use of more accurate theories might lead to the observed steps. We also demonstrate that the triplet potential surface differs significantly between the CASSCF and MRMP2 results, particularly in the transition-state region. This fact seems to require more attention when studying the "nonadiabatic" scenario for the steps, in which the crossing seam between S0 and T1 surfaces is assumed to play a central role.

  6. The 2nd generation VLTI path to performance

    NASA Astrophysics Data System (ADS)

    Woillez, Julien; Alonso, Jaime; Berger, Jean-Philippe; Bonnet, Henri; de Wit, Willem-Jan; Egner, Sebastian; Eisenhauer, Frank; Gonté, Frédéric; Guieu, Sylvain; Haguenauer, Pierre; Mérand, Antoine; Pettazzi, Lorenzo; Poupar, Sébastien; Schöller, Markus; Schuhler, Nicolas

    2016-08-01

    The upgrade of the VLTI infrastructure for the 2nd generation instruments is now complete with the transformation of the laboratory, and installation of star separators on both the 1.8-m Auxiliary Telescopes (ATs) and the 8-m Unit Telescopes (UTs). The Gravity fringe tracker has had a full semester of commissioning on the ATs, and a first look at the UTs. The CIAO infrared wavefront sensor is about to demonstrate its performance relative to the visible wavefront sensor MACAO. First astrometric measurements on the ATs and astrometric qualification of the UTs are on-going. Now is a good time to revisit the performance roadmap for VLTI that was initiated in 2014, which aimed at coherently driving the developments of the interferometer, and especially its performance, in support to the new generation of instruments: Gravity and MATISSE.

  7. Philips' 2nd generation Novallure LED candle lamp

    NASA Astrophysics Data System (ADS)

    Li, Yun; Pei, Zhigang; Yuan, Chuan; Jiang, Tan; Lu, Zhengsong; Wang, Yuqian; Duan, Xiaoqing; Xiong, Yan; Zhong, Hong; Liu, Ye

    2010-08-01

    Finding an energy efficient replacement of incandescent candle lamp has been a technical challenge. Compact fluorescent lamps, for example, can be miniaturized to fit the form factor of a candle lamp but they fail to reproduce its "sparkle" effect. Empowered by solid state lighting technology along with original optical design, Philips has successfully developed LED-powered candle lamps "Novallure" with great energy savings (2W power consumption with lumen output of 55 lumen) and the "butterfly" radiation pattern that mimics the sparkle effect from an incandescent candle lamp. With new high performance LED packages, novel under-cut prismatic optics and state-of-the-art electronic driver solution and thermal solution, we have developed a 2nd generation Novallure with breakthrough performance: a dimmable 2700K 136 lumen LED candle lamp with CRI 90.

  8. Refraction data survey: 2nd generation correlation of myopia.

    PubMed

    Greene, Peter R; Medina, Antonio

    2016-10-01

    The objective herein is to provide refraction data, myopia progression rate, prevalence, and 1st and 2nd generation correlations, relevant to whether myopia is random or inherited. First- and second-generation ocular refraction data are assembled from N = 34 families, average of 2.8 children per family. From this group, data are available from N = 165 subjects. Inter-generation regressions are performed on all the data sets, including correlation coefficient r, and myopia prevalence [%]. Prevalence of myopia is [M] = 38.5 %. Prevalence of high myopes with |R| >6 D is [M-] = 20.5 %. Average refraction is  = -1.84 D ± 3.22 (N = 165). For the high myopes, |R| >6 D, prevalence for the parents is [M-] = 25 %, for the 2nd generation [M-] = 16.5 %. Average myopia level for the high myopes, both generations, is  = -7.52 D ± 1.31 D (N = 33). Regression parameters are calculated for all the data sets, yielding correlation coefficients in the range r = 0.48-0.72 for some groups of myopes and high myopes, fathers to daughters, and mothers to sons. Also of interest, some categories show essentially no correlation, -0.20 < r < 0.20, indicating that the refractive errors occur randomly. Time series results show myopia diopter rates = -0.50 D/year.

  9. Super Boiler 2nd Generation Technology for Watertube Boilers

    SciTech Connect

    Mr. David Cygan; Dr. Joseph Rabovitser

    2012-03-31

    This report describes Phase I of a proposed two phase project to develop and demonstrate an advanced industrial watertube boiler system with the capability of reaching 94% (HHV) fuel-to-steam efficiency and emissions below 2 ppmv NOx, 2 ppmv CO, and 1 ppmv VOC on natural gas fuel. The boiler design would have the capability to produce >1500 F, >1500 psig superheated steam, burn multiple fuels, and will be 50% smaller/lighter than currently available watertube boilers of similar capacity. This project is built upon the successful Super Boiler project at GTI. In that project that employed a unique two-staged intercooled combustion system and an innovative heat recovery system to reduce NOx to below 5 ppmv and demonstrated fuel-to-steam efficiency of 94% (HHV). This project was carried out under the leadership of GTI with project partners Cleaver-Brooks, Inc., Nebraska Boiler, a Division of Cleaver-Brooks, and Media and Process Technology Inc., and project advisors Georgia Institute of Technology, Alstom Power Inc., Pacific Northwest National Laboratory and Oak Ridge National Laboratory. Phase I of efforts focused on developing 2nd generation boiler concepts and performance modeling; incorporating multi-fuel (natural gas and oil) capabilities; assessing heat recovery, heat transfer and steam superheating approaches; and developing the overall conceptual engineering boiler design. Based on our analysis, the 2nd generation Industrial Watertube Boiler when developed and commercialized, could potentially save 265 trillion Btu and $1.6 billion in fuel costs across U.S. industry through increased efficiency. Its ultra-clean combustion could eliminate 57,000 tons of NOx, 460,000 tons of CO, and 8.8 million tons of CO2 annually from the atmosphere. Reduction in boiler size will bring cost-effective package boilers into a size range previously dominated by more expensive field-erected boilers, benefiting manufacturers and end users through lower capital costs.

  10. Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set.

    PubMed

    Marsman, M; Grüneis, A; Paier, J; Kresse, G

    2009-05-14

    We present an implementation of the canonical formulation of second-order Møller-Plesset (MP2) perturbation theory within the projector-augmented-wave method under periodic boundary conditions using a plane wave basis set. To demonstrate the accuracy of our approach we show that our result for the atomization energy of a LiH molecule at the Hartree-Fock+MP2 level is in excellent agreement with well converged Gaussian-type-orbital calculations. To establish the feasibility of employing MP2 perturbation theory in its canonical form to systems that are periodic in three dimensions we calculated the cohesive energy of bulk LiH.

  11. Second-order perturbation corrections to singles and doubles coupled-cluster methods: General theory and application to the valence optimized doubles model

    SciTech Connect

    Gwaltney, Steven R.; Sherrill, C. David; Head-Gordon, Martin; Krylov, Anna I.

    2000-09-01

    We present a general perturbative method for correcting a singles and doubles coupled-cluster energy. The coupled-cluster wave function is used to define a similarity-transformed Hamiltonian, which is partitioned into a zeroth-order part that the reference problem solves exactly plus a first-order perturbation. Standard perturbation theory through second-order provides the leading correction. Applied to the valence optimized doubles (VOD) approximation to the full-valence complete active space self-consistent field method, the second-order correction, which we call (2), captures dynamical correlation effects through external single, double, and semi-internal triple and quadruple substitutions. A factorization approximation reduces the cost of the quadruple substitutions to only sixth order in the size of the molecule. A series of numerical tests are presented showing that VOD(2) is stable and well-behaved provided that the VOD reference is also stable. The second-order correction is also general to standard unwindowed coupled-cluster energies such as the coupled-cluster singles and doubles (CCSD) method itself, and the equations presented here fully define the corresponding CCSD(2) energy. (c) 2000 American Institute of Physics.

  12. The Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-LT-RIMP2) theory method

    NASA Astrophysics Data System (ADS)

    Kjærgaard, Thomas

    2017-01-01

    The divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-RI-MP2) theory method introduced in Baudin et al. [J. Chem. Phys. 144, 054102 (2016)] is significantly improved by introducing the Laplace transform of the orbital energy denominator in order to construct the double amplitudes directly in the local basis. Furthermore, this paper introduces the auxiliary reduction procedure, which reduces the set of the auxiliary functions employed in the individual fragments. The resulting Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation method is applied to the insulin molecule where we obtain a factor 9.5 speedup compared to the DEC-RI-MP2 method.

  13. Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: correlation consistent basis sets for the 5d elements Hf-Pt.

    PubMed

    Hill, J Grant

    2011-07-28

    Auxiliary basis sets specifically matched to the correlation consistent cc-pVnZ-PP, cc-pwCVnZ-PP, aug-cc-pVnZ-PP, and aug-cc-pwCVnZ-PP orbital basis sets (used in conjunction with pseudopotentials) for the 5d transition metal elements Hf-Pt have been optimized for use in density fitting second-order Møller-Plesset perturbation theory and other correlated ab initio methods. Calculations of the second-order Møller-Plesset perturbation theory correlation energy, for a test set of small to medium sized molecules, indicate that the density fitting error when utilizing these sets is negligible at three to four orders of magnitude smaller than the orbital basis set incompleteness error.

  14. Physical properties of double perovskite-type barium neodymium osmate Ba{sub 2}NdOsO{sub 6}

    SciTech Connect

    Wakeshima, Makoto; Hinatsu, Yukio; Ohoyama, Kenji

    2013-01-15

    The crystal, magnetic structures and physical properties of the double perovskite-type barium neodymium osmate Ba{sub 2}NdOsO{sub 6} are investigated through powder X-ray and neutron diffraction, electrical conductivity, magnetic susceptibility, and specific heat measurements. The Rietveld analysis reveals that the Nd and Os ions are arranged with regularity over the six-coordinate B sites in a distorted perovskite ABO{sub 3} framework. The monoclinic crystal structure described by space group P2{sub 1}/n (tilt system a{sup -}a{sup -}c{sup +}) becomes more distorted with decreasing temperature from 300 K down to 2.5 K. This compound shows a long-range antiferromagnetic ordering of Os{sup 5+} below 65 K. An antiferromagnetic ordering of Nd{sup 3+} also occurs at lower temperatures ({approx}20 K). The magnetic structure is of Type I and the magnetic moments of Nd{sup 3+} and Os{sup 5+} ions are in the same direction in the ab-plane. - Graphical Abstract: The Magnetic structure of Ba{sub 2}NdOsO{sub 6} is of Type I, and the magnetic moments of the Nd{sup 3+} and Os{sup 5+} ions are in the same direction in the ab-plane. Highlights: Black-Right-Pointing-Pointer Crystal structures of Ba{sub 2}NdOsO{sub 6} are determined to be monoclinic below 300 K. Black-Right-Pointing-Pointer Its electrical resistivity shows a Mott variable-range hopping behavior with localized carriers. Black-Right-Pointing-Pointer An antiferromagnetic ordering of the Os{sup 5+}moment occurs at 65 K. Black-Right-Pointing-Pointer The magnetic structure of Ba{sub 2}NdOsO{sub 6} is determined to be of Type I.

  15. What's Up With Mercury's 2nd-Degree Shape?

    NASA Astrophysics Data System (ADS)

    Chen, E.; Phillips, R. J.; Zhong, S.

    2015-12-01

    The long-wavelength topography and geoid of a planet are basic observations fundamental to understanding the planet's thermal and dynamical history. Observations by the MESSENGER spacecraft have significantly reduced the uncertainty in the spherical harmonic 2nd-degree (l2) topography and gravity coefficients. Similar to those of the Moon, the long wavelength shape and geoid of Mercury are significantly out of hydrostatic equilibrium [Perry et al., 2015]. The diversion from equilibrium of the Moon has been attributed to orbital evolution and the "freezing-in" of a fossil bulge. With respect to Mercury, the disequilibrium of the l2 shape and geoid is unlikely to be due to its orbital history [Matsuyama and Nimmo, 2009]. Non-hydrostatic models can explain the gravity and shape of Mercury. Buoyancy from thermal anomalies isostatically supporting the surface falls short of reproducing the observed l2 admittance and topography. We explore three scenarios that can generate high admittances at degree-2: flexural/membrane loading on the surface, buoyant structures within the mantle, or topography on the core-mantle boundary. We discuss both isostatic and dynamic models of compensation, and include variations of viscosity structure and elastic properties. However, typical sources of these mechanisms (e.g. large volcanic provinces that collectively have symmetry about the equator or mantle convection with a strong l2 component) are not obviously present on Mercury.

  16. PREFACE: 2nd International Symposium "Optics and its Applications"

    NASA Astrophysics Data System (ADS)

    Calvo, Maria L.; Dolganova, Irina N.; Gevorgyan, Narine; Guzman, Angela; Papoyan, Aram; Sarkisyan, Hayk; Yurchenko, Stanislav

    2016-01-01

    The ICTP smr2633: 2nd International Symposium "Optics and its Applications" (OPTICS-2014) http://indico.ictp.it/event/a13253/ was held in Yerevan and Ashtarak, Armenia, on 1-5 September 2014. The Symposium was organized by the Abdus Salam International Center for Theoretical Physics (ICTP) with the collaboration of the SPIE Armenian Student Chapter, the Armenian TC of ICO, the Russian-Armenian University (RAU), the Institute for Physical Research of the National Academy of Sciences of Armenia (IPR of NAS), the Greek-Armenian industrial company LT-Pyrkal, and the Yerevan State University (YSU). The Symposium was co-organized by the BMSTU SPIE & OSA student chapters. The International Symposium OPTICS-2014 was dedicated to the 50th anniversary of the Abdus Salam International Center for Theoretical Physics. This symposium "Optics and its Applications" was the First Official ICTP Scientific Event in Armenia. The presentations at OPTICS-2014 were centered on these topics: optical properties of nanostructures; quantum optics & information; singular optics and its applications; laser spectroscopy; strong field optics; nonlinear & ultrafast optics; photonics & fiber optics; optics of liquid crystals; and mathematical methods in optics.

  17. [Microsurgical 2nd toe transfer for catastrophic hand reconstruction].

    PubMed

    Placer, A; Lozano, Ja

    2007-01-01

    The correct reconstruction of the catastrophic hand requires complex surgical techniques. The microsurgical transference of a toe is indicated when all other reconstructive options are shown to be useless for the reconstruction of the required clamp function. In this clinical note we set out the case of a 32 year old man, who came to our accident and emergency department after suffering a traffic accident. After exploration the diagnosis was that of catastrophic left hand, among other policontusions. Urgent surgery was carried out, saving the maximum possible viable structures. The immediate result of this surgery was a hand with 1st, 4th and 5th functional fingers. As the essential clamp function between the 1st and 4th or 5th fingers was not totally satisfactory, we decided to reconstruct the 3rd finger of his hand with his ipsilateral 2nd toe. All pertinent studies to determine vascularisation of the flap were carried out in planning the surgery, and the microsurgical transfer was then realized, which was successful. Today, after a suitable rehabilitation, the patient has recovered a satisfactory function of heavy and fine clamp in the operated hand. Toe to hand transfer is a good option for finger reconstruction and its function. Rehabilitation is the key to functional recovery.

  18. Aging Studies of 2nd Generation BaBar RPCs

    SciTech Connect

    Band, H.R.; /SLAC

    2007-09-25

    The BaBar detector, operating at the PEPII B factory of the Stanford Linear Accelerator Center (SLAC), installed over 200 2nd generation Resistive Plate Chambers (RPCs) in 2002. The streamer rates produced by backgrounds and signals from normal BaBar running vary considerably (0.1- >20 Hz/cm2) depending on the layer and position of the chambers, thus providing a broad spectrum test of RPC performance and aging. The lowest rate chambers have performed very well with stable efficiencies averaging 95%. Other chambers had rate-dependant inefficiencies due to Bakelite drying which were reversed by the introduction of humidified gases. RPC inefficiencies in the highest rate regions of the higher rate chambers have been observed and also found to be rate dependant. The inefficient regions grow with time and have not yet been reduced by operation with humidified input gas. Three of these chambers were converted to avalanche mode operation and display significantly improved efficiencies. The rate of production of HF in the RPC exhaust gases was measured in avalanche and streamer mode RPCs and found to be comparable despite the lower current of the avalanche mode RPCs.

  19. A fast algorithm for adaptive clutter rejection in ultrasound color flow imaging based on the first-order perturbation: a simulation study.

    PubMed

    You, Wei; Wang, Yuanyuan

    2010-08-01

    A fast clutter rejection method for ultrasound color flow imaging is proposed based on the first-order perturbation as an efficient implementation of eigen-decomposition. The proposed method is verified by simulated data. Results show that the proposed method can be adaptive to non-stationary clutter movements and its computational complexity is lower than that of the conventional eigen-based clutter rejection methods.

  20. PREFACE: 2nd National Conference on Nanotechnology 'NANO 2008'

    NASA Astrophysics Data System (ADS)

    Czuba, P.; Kolodziej, J. J.; Konior, J.; Szymonski, M.

    2009-03-01

    This issue of Journal of Physics: Conference Series contains selected papers presented at the 2nd National Conference on Nanotechnology 'NANO2008', that was held in Kraków, Poland, 25-28 June 2008. It was organized jointly by the Polish Chemical Society, Polish Physical Society, Polish Vacuum Society, and the Centre for Nanometer-scale Science and Advanced Materials (NANOSAM) of the Jagiellonian University. The meeting presentations were categorized into the following topics: 1. Nanomechanics and nanotribology 2. Characterization and manipulation in nanoscale 3. Quantum effects in nanostructures 4. Nanostructures on surfaces 5. Applications of nanotechnology in biology and medicine 6. Nanotechnology in education 7. Industrial applications of nanotechnology, presentations of the companies 8. Nanoengineering and nanomaterials (international sessions shared with the fellows of Maria-Curie Host Fellowships within the 6th FP of the European Community Project 'Nano-Engineering for Expertise and Development, NEED') 9. Nanopowders 10. Carbon nanostructures and nanosystems 11. Nanoelectronics and nanophotonics 12. Nanomaterials in catalysis 13. Nanospintronics 14. Ethical, social, and environmental aspects of nanotechnology The Conference was attended by 334 participants. The presentations were delivered as 7 invited plenary lectures, 25 invited topical lectures, 78 oral and 108 poster contributions. Only 1/6 of the contributions presented during the Conference were submitted for publication in this Proceedings volume. From the submitted material, this volume of Journal of Physics: Conference Series contains 37 articles that were positively evaluated by independent referees. The Organizing Committee gratefully acknowledges all these contributions. We also thank all the referees of the papers submitted for the Proceedings for their timely and thorough work. We would like to thank all members of the National Program Committee for their work in the selection process of

  1. Development of a Hydrologic Characterization Technology for Fault Zones Phase II 2nd Report

    SciTech Connect

    Karasaki, Kenzi; Doughty, Christine; Gasperikova, Erika; Peterson, John; Conrad, Mark; Cook, Paul; Tiemi, Onishi

    2011-03-31

    This is the 2nd report on the three-year program of the 2nd phase of the NUMO-LBNL collaborative project: Development of Hydrologic Characterization Technology for Fault Zones under NUMO-DOE/LBNL collaboration agreement. As such, this report is a compendium of the results by Kiho et al. (2011) and those by LBNL.

  2. Highlights of the 2 nd Bioinformatics Student Symposium by ISCB RSG-UK

    PubMed Central

    White, Benjamen; Fatima, Vayani; Fatima, Nazeefa; Das, Sayoni; Rahman, Farzana; Hassan, Mehedi

    2016-01-01

    Following the success of the 1 st Student Symposium by ISCB RSG-UK, a 2 nd Student Symposium took place on 7 th October 2015 at The Genome Analysis Centre, Norwich, UK. This short report summarizes the main highlights from the 2 nd Bioinformatics Student Symposium. PMID:27239284

  3. 2nd interface between ecology and land development in California

    USGS Publications Warehouse

    Keeley, Jon E.; Baer-Keeley, Melanie; Fortheringham, C.J.

    2000-01-01

    The 2nd Interface Between Ecology and Land Development Conference was held in association with Earth Day 1997, five years after the first Interface Conference. Rapid population growth in California has intensified the inevitable conflict between land development and preservation of natural ecosystems. Sustainable development requires wise use of diminishing natural resources and, where possible, restoration of damaged landscapes. These Earth Week Celebrations brought together resource managers, scientists, politicians, environmental consultants, and concerned citizens in an effort to improve the communication necessary to maintain our natural biodiversity, ecosystem processes and general quality of life. As discussed by our keynote speaker, Michael Soule, the best predictor of habitat loss is population growth and nowhere is this better illustrated than in California. As urban perimeters expand, the interface between wildlands and urban areas increases. Few problems are more vexing than how to manage the fire prone ecosystems indigenous to California at this urban interface. Today resource managers face increasing challenges of dealing with this problem and the lead-off section of the proceedings considers both the theoretical basis for making decisions related to prescribed burning and the practical application. Habitat fragmentation is an inevitable consequence of development patterns with significant impacts on animal and plant populations. Managers must be increasingly resourceful in dealing with problems of fragmentation and the often inevitable consequences, including susceptibility to invasive oganisms. One approach to dealing with fragmentation problems is through careful landplanning. California is the national leader in the integration of conservation and economics. On Earth Day 1991, Governor Pete Wilson presented an environmental agenda that promised to create between land owners and environmentalists, agreements that would guarantee the protection of

  4. X-ray natural linear dichroism of graphitic materials across the carbon K-edge: Correction for perturbing high-order harmonics

    NASA Astrophysics Data System (ADS)

    Jansing, C.; Mertins, H. C.; Gaupp, A.; Sokolov, A.; Gilbert, M. C.; Wahab, H.; Timmers, H.

    2016-05-01

    Reflectivity measurements on graphitic materials such as graphene at energies across the carbon K-edge are frustrated by significant intensity loss due to adventitious carbon on beamline mirrors. Such intensity reduction enhances effects due to perturbing high-order harmonics in the beam. These effects distort the actual structure of the reflectance curve. In order to overcome this limitation, a correction technique has been developed and demonstrated first with measurements for highly ordered pyrolytic graphite. The same approach may be applied to other graphitic materials such as graphene and it may be used with other synchrotron beamlines. The fraction of high-order harmonics was determined by passing the incident beam through a 87 nm thin silicon nitride absorber that can be well modeled. Using the corrected measurements the x-ray natural linear dichroism of the sample has been determined.

  5. PREFACE: 2nd Workshop on Germanium Detectors and Technologies

    NASA Astrophysics Data System (ADS)

    Abt, I.; Majorovits, B.; Keller, C.; Mei, D.; Wang, G.; Wei, W.

    2015-05-01

    The 2nd workshop on Germanium (Ge) detectors and technology was held at the University of South Dakota on September 14-17th 2014, with more than 113 participants from 8 countries, 22 institutions, 15 national laboratories, and 8 companies. The participants represented the following big projects: (1) GERDA and Majorana for the search of neutrinoless double-beta decay (0νββ) (2) SuperCDMS, EDELWEISS, CDEX, and CoGeNT for search of dark matter; (3) TEXONO for sub-keV neutrino physics; (4) AGATA and GRETINA for gamma tracking; (5) AARM and others for low background radiation counting; (5) as well as PNNL and LBNL for applications of Ge detectors in homeland security. All participants have expressed a strong desire on having better understanding of Ge detector performance and advancing Ge technology for large-scale applications. The purpose of this workshop was to leverage the unique aspects of the underground laboratories in the world and the germanium (Ge) crystal growing infrastructure at the University of South Dakota (USD) by brining researchers from several institutions taking part in the Experimental Program to Stimulate Competitive Research (EPSCoR) together with key leaders from international laboratories and prestigious universities, working on the forefront of the intensity to advance underground physics focusing on the searches for dark matter, neutrinoless double-beta decay (0νββ), and neutrino properties. The goal of the workshop was to develop opportunities for EPSCoR institutions to play key roles in the planned world-class research experiments. The workshop was to integrate individual talents and existing research capabilities, from multiple disciplines and multiple institutions, to develop research collaborations, which includes EPSCor institutions from South Dakota, North Dakota, Alabama, Iowa, and South Carolina to support multi-ton scale experiments for future. The topic areas covered in the workshop were: 1) science related to Ge

  6. Distributed memory parallel implementation of energies and gradients for second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation.

    PubMed

    Hättig, Christof; Hellweg, Arnim; Köhn, Andreas

    2006-03-14

    We present a parallel implementation of second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation (RI-MP2). The implementation is based on a recent improved sequential implementation of RI-MP2 within the Turbomole program package and employs the message passing interface (MPI) standard for communication between distributed memory nodes. The parallel implementation extends the applicability of canonical MP2 to considerably larger systems. Examples are presented for full geometry optimizations with up to 60 atoms and 3300 basis functions and MP2 energy calculations with more than 200 atoms and 7000 basis functions.

  7. Reliable prediction of three-body intermolecular interactions using dispersion-corrected second-order Møller-Plesset perturbation theory

    SciTech Connect

    Huang, Yuanhang; Beran, Gregory J. O.

    2015-07-28

    Three-body and higher intermolecular interactions can play an important role in molecular condensed phases. Recent benchmark calculations found problematic behavior for many widely used density functional approximations in treating 3-body intermolecular interactions. Here, we demonstrate that the combination of second-order Møller-Plesset (MP2) perturbation theory plus short-range damped Axilrod-Teller-Muto (ATM) dispersion accurately describes 3-body interactions with reasonable computational cost. The empirical damping function used in the ATM dispersion term compensates both for the absence of higher-order dispersion contributions beyond the triple-dipole ATM term and non-additive short-range exchange terms which arise in third-order perturbation theory and beyond. Empirical damping enables this simple model to out-perform a non-expanded coupled Kohn-Sham dispersion correction for 3-body intermolecular dispersion. The MP2 plus ATM dispersion model approaches the accuracy of O(N{sup 6}) methods like MP2.5 or even spin-component-scaled coupled cluster models for 3-body intermolecular interactions with only O(N{sup 5}) computational cost.

  8. Reliable prediction of three-body intermolecular interactions using dispersion-corrected second-order Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Huang, Yuanhang; Beran, Gregory J. O.

    2015-07-01

    Three-body and higher intermolecular interactions can play an important role in molecular condensed phases. Recent benchmark calculations found problematic behavior for many widely used density functional approximations in treating 3-body intermolecular interactions. Here, we demonstrate that the combination of second-order Møller-Plesset (MP2) perturbation theory plus short-range damped Axilrod-Teller-Muto (ATM) dispersion accurately describes 3-body interactions with reasonable computational cost. The empirical damping function used in the ATM dispersion term compensates both for the absence of higher-order dispersion contributions beyond the triple-dipole ATM term and non-additive short-range exchange terms which arise in third-order perturbation theory and beyond. Empirical damping enables this simple model to out-perform a non-expanded coupled Kohn-Sham dispersion correction for 3-body intermolecular dispersion. The MP2 plus ATM dispersion model approaches the accuracy of O(N6) methods like MP2.5 or even spin-component-scaled coupled cluster models for 3-body intermolecular interactions with only O(N5) computational cost.

  9. 4. VIEW WEST, WEST SIDE, SHOWING CHANNELS 1ST AND 2ND ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    4. VIEW WEST, WEST SIDE, SHOWING CHANNELS 1ST AND 2ND VERTICAL BRACED DOUBLE ANGLES, DIAGONAL BRACING AND CROSS BRACED RAILING - Thirty-Sixth Street Bridge, Spanning Rabbit River, Hamilton, Allegan County, MI

  10. 37. MILL NO. 2, 2nd FLOOR, CLOSE SHOT OF 2 ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    37. MILL NO. 2, 2nd FLOOR, CLOSE SHOT OF 2 CREEL MACHINES, WHICH FEED YARN INTO KNITTING MACHINES. - Prattville Manufacturing Company, Number One, 242 South Court Street, Prattville, Autauga County, AL

  11. 42. OVERALL OF 2nd FLOOR PICKER ROOM OFF MILL NO. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    42. OVERALL OF 2nd FLOOR PICKER ROOM OFF MILL NO. 2. NOTE TRUSSWORK. SPACE TO RIGHT OF COLUMNS IS PART OF 1915 CLOTH ROOM ADDITION. - Prattville Manufacturing Company, Number One, 242 South Court Street, Prattville, Autauga County, AL

  12. 22. MILL NO. 1, 2nd FLOOR, LIGHT TABLES AND KNITTING ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    22. MILL NO. 1, 2nd FLOOR, LIGHT TABLES AND KNITTING MACHINE. LIGHT TABLE USED TO CHECK FOR CLOTH DEFECTS. - Prattville Manufacturing Company, Number One, 242 South Court Street, Prattville, Autauga County, AL

  13. VIEW SOUTH/SOUTHEAST LOOKING DOWN ON 2ND AQUEDUCT AND 1ST AQUEDUCT ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    VIEW SOUTH/SOUTHEAST LOOKING DOWN ON 2ND AQUEDUCT AND 1ST AQUEDUCT CASCADES TOWARDS FILTRATION PLANT AND LOS ANGELES RESERVOIR - Los Angeles Aqueduct, Cascades Structures, Los Angeles, Los Angeles County, CA

  14. 27. INTERIOR, ADMINISTRATION BUILDING, 2ND FLOOR, SOUTHEAST CORNER SPACE, LOOKING ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    27. INTERIOR, ADMINISTRATION BUILDING, 2ND FLOOR, SOUTHEAST CORNER SPACE, LOOKING UP AT CIRCULAR MOTIF AND BANDS IN THE CEILING ABOVE THE ACOUSTICAL TILES - Ford Motor Company Plant, 700 South Union Street, Alexandria, Independent City, VA

  15. A Guided Tour of Mathematical Methods - 2nd Edition

    NASA Astrophysics Data System (ADS)

    Snieder, Roel

    2004-09-01

    Mathematical methods are essential tools for all physical scientists. This second edition provides a comprehensive tour of the mathematical knowledge and techniques that are needed by students in this area. In contrast to more traditional textbooks, all the material is presented in the form of problems. Within these problems the basic mathematical theory and its physical applications are well integrated. The mathematical insights that the student acquires are therefore driven by their physical insight. Topics that are covered include vector calculus, linear algebra, Fourier analysis, scale analysis, complex integration, Green's functions, normal modes, tensor calculus, and perturbation theory. The second edition contains new chapters on dimensional analysis, variational calculus, and the asymptotic evaluation of integrals. This book can be used by undergraduates, and lower-level graduate students in the physical sciences. It can serve as a stand-alone text, or as a source of problems and examples to complement other textbooks. All the material is presented in the form of problems Mathematical insights are gained by getting the reader to develop answers themselves Many applications of the mathematics are given

  16. Density matrix perturbation theory.

    PubMed

    Niklasson, Anders M N; Challacombe, Matt

    2004-05-14

    An orbital-free quantum perturbation theory is proposed. It gives the response of the density matrix upon variation of the Hamiltonian by quadratically convergent recursions based on perturbed projections. The technique allows treatment of embedded quantum subsystems with a computational cost scaling linearly with the size of the perturbed region, O(N(pert.)), and as O(1) with the total system size. The method allows efficient high order perturbation expansions, as demonstrated with an example involving a 10th order expansion. Density matrix analogs of Wigner's 2n+1 rule are also presented.

  17. Criteria for first- and second-order vibrational resonances and correct evaluation of the Darling-Dennison resonance coefficients using the canonical Van Vleck perturbation theory

    SciTech Connect

    Krasnoshchekov, Sergey V.; Isayeva, Elena V.; Stepanov, Nikolay F.

    2014-12-21

    The second-order vibrational Hamiltonian of a semi-rigid polyatomic molecule when resonances are present can be reduced to a quasi-diagonal form using second-order vibrational perturbation theory. Obtaining exact vibrational energy levels requires subsequent numerical diagonalization of the Hamiltonian matrix including the first- and second-order resonance coupling coefficients. While the first-order Fermi resonance constants can be easily calculated, the evaluation of the second-order Darling-Dennison constants requires more complicated algebra for seven individual cases with different numbers of creation-annihilation vibrational quanta. The difficulty in precise evaluation of the Darling-Dennison coefficients is associated with the previously unrecognized interference with simultaneously present Fermi resonances that affect the form of the canonically transformed Hamiltonian. For the first time, we have presented the correct form of the general expression for the evaluation of the Darling-Dennison constants that accounts for the underlying effect of Fermi resonances. The physically meaningful criteria for selecting both Fermi and Darling-Dennison resonances are discussed and illustrated using numerical examples.

  18. Quasirelativistic theory for the magnetic shielding constant. III. Quasirelativistic second-order Møller-Plesset perturbation theory and its application to tellurium compounds.

    PubMed

    Fukuda, Ryoichi; Nakatsuji, Hiroshi

    2005-07-22

    The quasirelativistic (QR) generalized unrestricted Hartree-Fock method for the magnetic shielding constant [R. Fukuda, M. Hada, and H. Nakatsuji, J. Chem. Phys. 118, 1015 (2003); R. Fukuda, M. Hada, and H. Nakatsuji, J. Chem. Phys.118, 1027 (2003)] has been extended to include the electron correlation effect in the level of the second-order Møller-Plesset perturbation theory (MP2). We have implemented the energy gradient and finite-perturbation methods to calculate the magnetic shielding constant at the QR MP2 level and applied to the magnetic shielding constants and the NMR chemical shifts of 125Te nucleus in various tellurium compounds. The calculated magnetic shielding constants and NMR chemical shifts well reproduced the experimental values. The relations of the chemical shifts with the natures of ligands, and the tellurium oxidation states were investigated. The chemical shifts in different valence states were explained by the paramagnetic shielding and spin-orbit terms. The tellurium 5p electrons are the dominant origin of the chemical shifts in the Te I and Te II compounds and the chemical shifts were explained by the p-hole mechanism. The tellurium d electrons also play an important role in the chemical shifts of the hypervalent compounds.

  19. Acid soil and acid rain, 2nd edition

    SciTech Connect

    Kennedy, I.R.

    1992-01-01

    This book examines the basic chemical processes involved in acidification in order to better assess their long-term effects on the status of soils, the health of plants and other living species that depend on them. It also discusses acidity, pH and protons their significance in bioenergetics and the consequent role of autotrophic organisms in acidifying ecosystems. This edition incorporates and integrates recent findings that render more explanations of the causes of the environmental impacts of acidity, especially in forests and lakes. Also explores current research into acid rain and soil in order to devise appropriate measures for their amelioration.

  20. Completely exceptional 2nd order PDEs via conformal geometry and BGG resolution

    NASA Astrophysics Data System (ADS)

    Gutt, Jan; Manno, Gianni; Moreno, Giovanni

    2017-03-01

    By studying the development of shock waves out of discontinuity waves, in 1954 P. Lax discovered a class of PDEs, which he called "completely exceptional", where such a transition does not occur after a finite time. A straightforward integration of the completely exceptional conditions allowed Boillat to show that such PDEs are actually of Monge-Ampère type. In this paper, we first recast these conditions in terms of characteristics, and then we show that the completely exceptional PDEs, with 2 or 3 independent variables, can be described in terms of the conformal geometry of the Lagrangian Grassmannian, where they are naturally embedded. Moreover, for an arbitrary number of independent variables, we show that the space of rth degree sections of the Lagrangian Grassmannian can be resolved via a BGG operator. In the particular case of 1st degree sections, i.e., hyperplane sections or, equivalently, Monge-Ampère equations, such operator is a close analogue of the trace-free second fundamental form.

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

    PubMed

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

    2012-05-28

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

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

    NASA Astrophysics Data System (ADS)

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

    2012-05-01

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

  3. Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations.

    PubMed

    Steele, Ryan P; DiStasio, Robert A; Shao, Yihan; Kong, Jing; Head-Gordon, Martin

    2006-08-21

    The resolution-of-the-identity (RI) approximation has placed the onus of the cost of a second-order Moller-Plesset (MP2) calculation on the underlying self-consistent field (SCF) calculation for many moderately sized molecules. A dual-basis approach to the SCF calculation, based on previous methods demonstrated for density functional theory, is combined with RI-MP2 calculations, and small basis subsets for cc-pVTZ, cc-pVQZ, and 6-311++G(3df,3pd) are presented. These subsets provide time savings of greater than 90%, with negligible errors in absolute and relative energies, compared to the associated full-basis counterpart. The method is tested with a series of rotational barriers, relative conformational energies of alanine tetrapeptides, as well as the full G3/99 molecular set. RI-MP2 calculations on alanine octapeptides (40 heavy atoms, 3460 basis functions), using cc-pVQZ, are presented. Results improve upon previous methods that diagonalize the virtual space separately.

  4. The Pitch: How To Analyze Ads. 2nd Edition.

    ERIC Educational Resources Information Center

    Rank, Hugh

    This book probes the ways ads persuade people to purchase, and attempts to teach individuals to become more discerning consumers. Critical thinking, when applied to analyzing ads, benefits consumers by helping them recognize patterns of persuasion and sort incoming information in order to get to the hidden message. The book s basic premise is that…

  5. Writing II for 2nd Year EFL Student Teachers

    ERIC Educational Resources Information Center

    Abdallah, Mahmoud M. S.

    2015-01-01

    Writing is a very important skill that should be mastered properly by university students, especially pre-service language teachers (e.g. EFL student teachers). In order to present their ideas efficiently in the context of their academic study, they have to be trained well on how to write meaningful pieces (e.g. essays, academic reports,…

  6. Fourth generation CP violation effects on B-->Kpi, phiK, and rhoK in next-to-leading-order perturbative QCD.

    PubMed

    Hou, Wei-Shu; Li, Hsiang-nan; Mishima, Satoshi; Nagashima, Makiko

    2007-03-30

    We study the effect from a sequential fourth generation quark on penguin-dominated two-body nonleptonic B meson decays in the next-to-leading order perturbative QCD formalism. With an enhancement of the color-suppressed tree amplitude and possibility of a new CP phase in the electroweak penguin amplitude, we can account better for A(CP)(B(0)-->K+ pi-)-A(CP)(B+-->K+ pi0). Taking |V(t's)V(t'b)| approximately 0.02 with a phase just below 90 degrees, which is consistent with the b-->sl+ l- rate and the B(s) mixing parameter Deltam(B)(s), we find a downward shift in the mixing-induced CP asymmetries of B(0)-->K(S)(pi 0) and phi(K)(S). The predicted behavior for B(0)-->rho(0)(K)(S) is opposite.

  7. International Conference on Shallow Water Acoustics (2nd)

    DTIC Science & Technology

    2010-02-08

    acoustic propagation. Numerical solutions are abundant and are imbedded in many modeling codes. This method is different as it takes a second order...be solved numerically very rapidly leading to a significant speed up for solving the original Rayleigh–Helmholtz equation and the ability to model...and turn TR into TRBF naturally. TRBF is somewhat robust due to the invariance of both the TR solution of the wave equation and the dominant

  8. Radionuclide and radiation protection data handbook 2nd edition (2002).

    PubMed

    Delacroix, D; Guerre, J P; Leblanc, P; Hickman, C

    2002-01-01

    This handbook is a reference source of radionuclide and radiation protection information. Its purpose is to provide users of radionuclides in medicine, research and industry with consolidated and appropriate information and data to handle and transport radioactive substances safely. It is mainly intended for users in low and intermediate activity laboratories. Individual data sheets are provided for a wide range of commonly used radionuclides (144 in total). These radionuclides are classified into five different groups as a function of risk level, represented by colours red, orange, yellow, green and blue, in descending order of risk.

  9. Electron correlation in extended systems: Fourth-order many-body perturbation theory and density-functional methods applied to an infinite chain of hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Suhai, Sándor

    1994-11-01

    Linear equidistant and bond-alternating infinite chains of hydrogen atoms have been investigated by the ab initio crystal-orbital method at the Hartree-Fock (HF) level, by including electron correlation up to the complete fourth order of the Mo/ller-Plesset perturbation theory (MP4-PT), and by using different versions of density-functional theory (DFT). The Bloch functions have been expanded in all cases in a series of high-quality atomic-orbital basis sets and complemented by extended sets of polarization functions up to 6s3p2d1f per H atom. In order to compare the performance of the PT and DFT methods, several physical properties have been computed at all theoretical levels including lattice geometry, cohesive energy, mechanisms of bond alternation (Peierls instability), and energetic features of nonequilibrium configurations (dissociation). For these latter quantities, both spin-restricted (RHF) and unrestricted (UHF) wave functions have been employed in all orders of PT. The methods described have been used parallel to infinite chains and to the H2 molecule, to be able to check their accuracy on experiments. In the case of the DFT, six different functionals (combining Slater and Becke exchange with local and gradient-corrected correlation potentials) have been utilized to test their accuracy in comparison with the MP4 results.

  10. A compendium of fossil marine animal families, 2nd edition

    NASA Technical Reports Server (NTRS)

    Sepkoski, J. J. Jr; Sepkoski JJ, J. r. (Principal Investigator)

    1992-01-01

    A comprehensive listing of 4075 taxonomic families of marine animals known from the fossil record is presented. This listing covers invertebrates, vertebrates, and animal-like protists, gives time intervals of apparent origination and extinction, and provides literature sources for these data. The time intervals are mostly 81 internationally recognized stratigraphic stages; more than half of the data are resolved to one of 145 substage divisions, providing more highly resolved data for studies of taxic macroevolution. Families are classified by order, class, and phylum, reflecting current classifications in the published literature. This compendium is a new edition of the 1982 publication, correcting errors and presenting greater stratigraphic resolution and more current ideas about acceptable families and their classification.

  11. Organic Chemistry, 2nd Edition (by Paula Y. Bruice)

    NASA Astrophysics Data System (ADS)

    Katz, Marlene G.

    1998-11-01

    Prentice Hall: Englewood Cliffs, NJ, 1998, xxx +1256 pp, 6 appendices. ISBN 0-13-841925-6. $99. The author has made some constructive changes to the second edition of this visually pleasing book. The chapter order has been rearranged so that all of spectroscopy is covered in two adjoining chapters (new problems combining NMR and IR have been added), all of the chapters on bioorganic chemistry are grouped together (information on reducing sugars has been added), and the last section now covers heterocycles, pericyclic reactions, polymer synthesis, multistep synthetic strategies, and drug design. The publisher offers additional material at its Web site and a paperback for students assisting them in using the Internet. The ChemCentral Organic Web site has problem sets to supplement each chapter (including hints for struggling students) and animations of molecules undergoing reactions. In addition the Web site provides syllabus construction software for instructors. The accompanying study guide/solutions manual, written by the textbook author, contains a glossary, answers to chapter problems, and a practice test (for the first twenty chapters). There are sections called "special topics" which offer in-depth treatment of pH, pKa, buffers, and the electron-pushing formalism.

  12. 2nd Sandia Fracture Challenge Summit: Sandia California's Modeling Approach

    SciTech Connect

    Karlson, Kyle N.; Brown, Arthur; Foulk, James W.

    2015-02-01

    Team Sandia California (Team H) used the Sandia code SIERRA Solid Mechanics: Implicit (SIERRA SM) to model the SFC2 challenge problem. SIERRA SM is a Lagrangian, three-dimensional, implicit code for the analysis of solids and structures. It contains a versatile library of continuum and structural elements, and an extensive library of material models. For all SFC2 related simulations, our team used Q1P0, 8 node hexahedral elements with element side lengths on the order 0.175 mm in failure regions. To model crack initiation and failure, element death removed elements from the simulation according to a continuum damage model. SIERRA SM’s implicit dynamics, implemented with an HHT time integration scheme for numerical damping [1], was used to model the unstable failure modes of the models. We chose SIERRA SM’s isotropic Elasto Viscoplastic material model for our simulations because it contains most of the physics required to accurately model the SFC2 challenge problem such as the flexibility to include temperature and rate dependence for a material.

  13. An Introduction to Thermodynamics and Statistical Mechanics - 2nd Edition

    NASA Astrophysics Data System (ADS)

    Stowe, Keith

    2003-03-01

    This introductory textbook for standard undergraduate courses in thermodynamics has been completely rewritten. Starting with an overview of important quantum behaviours, the book teaches students how to calculate probabilities, in order to provide a firm foundation for later chapters. It introduces the ideas of classical thermodynamics and explores them both in general and as they are applied to specific processes and interactions. The remainder of the book deals with statistical mechanics - the study of small systems interacting with huge reservoirs. The changes to this second edition have been made after more than 10 years classroom testing and student feedback. Each topic ends with a boxed summary of ideas and results, and every chapter contains numerous homework problems, covering a broad range of difficulties. Answers are given to odd numbered problems, and solutions to even problems are available to instructors at www.cambridge.org/9780521865579. The entire book has been re-written and now covers more topics It has a greater number of homework problems which range in difficulty from warm-ups to challenges It is concise and has an easy reading style

  14. DOE performance indicators for 2nd quarter CY 1993

    SciTech Connect

    Not Available

    1993-11-01

    The Department of Energy (DOE) has established a Department-wide Performance Indicator (PI) Program for trending and analysis of operational data as directed by DOE Order 5480.26. The PI Program was established to provide a means for monitoring the environment, safety, and health (ES&H) performance of the DOE at the Secretary and other management levels. This is the tenth in a series of quarterly reports generated for the Department of Energy Idaho Operations Office (DOE-ID) by EG&G Idaho, Inc. to meet the requirements of the PI Program as directed by the DOE Standard (DOE-STD-1048-92). The information in this tenth quarterly report, while contributing to a historical database for supporting future trending analysis, does not at this time provide a sound basis for developing trend-related conclusions. In the future, it is expected that trending and analysis of operational data will enhance the safety culture in both DOE and contractor organizations by providing an early warning of deteriorating environment, safety, and health conditions. DOE-STD-1048-92 identifies four general areas of PIs. They are: Personnel Safety, Operational Incidents, Environment, and Management. These four areas have been subdivided into 26 performance indicators. Approximately 115 performance indicator control and distribution charts comprise the body of this report. A brief summary of PIs contained in each of these general areas is provided. The four EG&G facilities whose performance is charted herein are as follows: (1) The Advanced Test Reactor (ATR), (2) The Radioactive Waste Management Complex (RWMC), (3) The Waste Experimental Reduction Facility (WERF), and (4) The Test Reactor Area (TRA) Hot Cells.

  15. Cluster perturbation theory in Hubbard model exactly taking into account the short-range magnetic order in 2 x 2 cluster

    SciTech Connect

    Nikolaev, S. V. Ovchinnikov, S. G.

    2010-10-15

    The cluster perturbation theory is presented in the 2D Hubbard model constructed using X operators in the Hubbard-I approximation. The short-range magnetic order is taken into account by dividing the entire lattice into individual 2 x 2 clusters and solving the eigenvalue problem in an individual cluster using exact diagonalization taking into account all excited levels. The case of half-filling taking into account jumps between nearest neighbors is considered. As a result of numerical solution, a shadow zone is discovered in the quasiparticle spectrum. It is also found that a gap in the density of states in the quasiparticle spectrum at zero temperature exists for indefinitely small values of Coulomb repulsion parameter U and increases with this parameter. It is found that the presence of this gap in the spectrum is due to the formation of a short-range antiferromagnetic order. An analysis of the temperature evolution of the density of states shows that the metal-insulator transition occurs continuously. The existence of two characteristic energy scales at finite temperatures is demonstrated, the larger scale is associated with the formation of a pseudogap in the vicinity of the Fermi level, and the smaller scale is associated with the metal-insulator transition temperature. A peak in the density of states at the Fermi level, which is predicted in the dynamic mean field theory in the vicinity of the metal-insulator transition, is not observed.

  16. Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals.

    PubMed

    Loibl, Stefan; Schütz, Martin

    2014-07-14

    In this paper, we present theory and implementation of an efficient program for calculating magnetizabilities and rotational g tensors of closed-shell molecules at the level of local second-order Møller-Plesset perturbation theory (MP2) using London orbitals. Density fitting is employed to factorize the electron repulsion integrals with ordinary Gaussians as fitting functions. The presented program for the calculation of magnetizabilities and rotational g tensors is based on a previous implementation of NMR shielding tensors reported by S. Loibl and M. Schütz [J. Chem. Phys. 137, 084107 (2012)]. Extensive test calculations show (i) that the errors introduced by density fitting are negligible, and (ii) that the errors of the local approximation are still rather small, although larger than for nuclear magnetic resonance (NMR) shielding tensors. Electron correlation effects for magnetizabilities are tiny for most of the molecules considered here. MP2 appears to overestimate the correlation contribution of magnetizabilities such that it does not constitute an improvement over Hartree-Fock (when comparing to higher-order methods like CCSD(T)). For rotational g tensors the situation is different and MP2 provides a significant improvement in accuracy over Hartree-Fock. The computational performance of the new program was tested for two extended systems, the larger comprising about 2200 basis functions. It turns out that a magnetizability (or rotational g tensor) calculation takes about 1.5 times longer than a corresponding NMR shielding tensor calculation.

  17. BOOK REVIEW: Quantum Field Theory in a Nutshell (2nd edn) Quantum Field Theory in a Nutshell (2nd edn)

    NASA Astrophysics Data System (ADS)

    Peskin, Michael E.

    2011-04-01

    and topology, and applications to condensed matter systems including the Peierls instability and the quantum Hall fluid. It is a large amount of territory to cover in a single volume. Few derivations are more than one page long. Those that fit in that space are very smooth, but others are too abbreviated to be fully comprehensible. The prose that accompanies the derivations, though, is always enticing. Zee misses no opportunity to point out that an argument he gives opens the door to some deeper subject that he encourages the reader to explore. I do warn students that it is easy to learn from this book how to talk quantum field theory without understanding it. To avoid this pitfall, it is important (as Zee emphasizes) to fill in the steps of his arguments with hard calculation. One topic from which Zee does not restrain himself is the quantum theory of gravity. In the first hundred pages we find a `concise introduction to curved spacetime' that includes a very pretty derivation of the Christoffel symbol from the geodesic equation. Toward the end of the book, there is a set of chapters devoted to the quantization of the gravitational field. The structure of the graviton propagator is worked out carefully. The van Dam-Veltman discontinuity between massless and massive spin 2 exchange is explained clearly. But after this Zee runs out of steam in presenting fully worked arguments. Still, there is room for more prose on connections to the great mysteries of the subject: the ultraviolet behavior, the cosmological constant, and the unification of forces. A new chapter added to the second edition discusses `Is Einstein Gravity The Square Of Yang-Mills Theory?' and suggests an affirmative answer, based on brand-new developments in perturbative quantum field theory. Quantum field theory is a large subject that still has not reached its definitive form. As such, there is room for many textbooks of complementary character. Zee states frankly, `It is not the purpose of this book

  18. The Perturbed Puma Model

    NASA Astrophysics Data System (ADS)

    Rong, Shu-Jun; Liu, Qiu-Yu

    2012-04-01

    The puma model on the basis of the Lorentz and CPT violation may bring an economical interpretation to the conventional neutrinos oscillation and part of the anomalous oscillations. We study the effect of the perturbation to the puma model. In the case of the first-order perturbation which keeps the (23) interchange symmetry, the mixing matrix element Ue3 is always zero. The nonzero mixing matrix element Ue3 is obtained in the second-order perturbation that breaks the (23) interchange symmetry.

  19. 2nd International Forum for Surveillance and Control of Mosquitoes and Mosquito-borne Diseases

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The Entomological Society of China (ESC) and Beijing Institute of Microbiology and Epidemiology (BIME) hosted the 2nd International Forum for Surveillance and Control of Mosquitoes and Mosquito-borne Diseases in Beijing, China, May 23-27, 2011. The theme of the Forum was “Impact of global climate ch...

  20. Methods for the Determination of Chemical Substances in Marine and Estuarine Environmental Matrices - 2nd Edition

    EPA Science Inventory

    This NERL-Cincinnati publication, “Methods for the Determination of Chemical Substances in Marine and Estuarine Environmental Matrices - 2nd Edition” was prepared as the continuation of an initiative to gather together under a single cover a compendium of standardized laborato...

  1. Stem cells and cancer immunotherapy: Arrowhead’s 2nd annual cancer immunotherapy conference

    PubMed Central

    2014-01-01

    Investigators from academia and industry gathered on April 4 and 5, 2013, in Washington DC at the Arrowhead’s 2nd Annual Cancer Immunotherapy Conference. Two complementary concepts were discussed: cancer “stem cells” as targets and therapeutic platforms based on stem cells.

  2. Proceedings of the 2nd symposium on valves for coal conversion and utilization

    SciTech Connect

    Maxfield, D.A.

    1981-01-01

    The 2nd symposium on valves for coal conversion and utilization was held October 15 to 17, 1980. It was sponsored by the US Department of Energy, Morgantown Energy Technology Center, in cooperation with the Valve Manufacturers Association. Seventeen papers have been entered individually into EDB and ERA. (LTN)

  3. Evaluation of a Hand Washing Program for 2nd-Graders

    ERIC Educational Resources Information Center

    Tousman, Stuart; Arnold, Dani; Helland, Wealtha; Roth, Ruth; Heshelman, Nannatte; Castaneda, Oralia; Fischer, Emily; O'Neil, Kristen; Bileto, Stephanie

    2007-01-01

    The purpose of this project was to determine if a multiple-week learner-centered hand washing program could improve hand hygiene behaviors of 2nd-graders in a northern Illinois public school system. Volunteers from the Rockford Hand Washing Coalition went into 19 different classrooms for 4 consecutive weeks and taught a learner-centered program.…

  4. Technical Adequacy of the Disruptive Behavior Rating Scale-2nd Edition--Self-Report

    ERIC Educational Resources Information Center

    Erford, Bradley T.; Miller, Emily M.; Isbister, Katherine

    2015-01-01

    This study provides preliminary analysis of the Disruptive Behavior Rating Scale-2nd Edition--Self-Report, which was designed to screen individuals aged 10 years and older for anxiety and behavior symptoms. Score reliability and internal and external facets of validity were good for a screening-level test.

  5. The Effect of Using Computer Edutainment on Developing 2nd Primary Graders' Writing Skills

    ERIC Educational Resources Information Center

    Mohammed Abdel Raheem, Azza Ashraf

    2011-01-01

    The present study attempted to examine the effect of using computer edutainment on developing 2nd graders' writing skills. The study comprised thirty-second year primary stage enrolled in Bani Hamad primary governmental school, Minia governorate. The study adopted the quasi-experimental design. Thirty participants were randomly assigned to one…

  6. A problem with inverse time for a singularly perturbed integro-differential equation with diagonal degeneration of the kernel of high order

    NASA Astrophysics Data System (ADS)

    Bobodzhanov, A. A.; Safonov, V. F.

    2016-04-01

    We consider an algorithm for constructing asymptotic solutions regularized in the sense of Lomov (see [1], [2]). We show that such problems can be reduced to integro-differential equations with inverse time. But in contrast to known papers devoted to this topic (see, for example, [3]), in this paper we study a fundamentally new case, which is characterized by the absence, in the differential part, of a linear operator that isolates, in the asymptotics of the solution, constituents described by boundary functions and by the fact that the integral operator has kernel with diagonal degeneration of high order. Furthermore, the spectrum of the regularization operator A(t) (see below) may contain purely imaginary eigenvalues, which causes difficulties in the application of the methods of construction of asymptotic solutions proposed in the monograph [3]. Based on an analysis of the principal term of the asymptotics, we isolate a class of inhomogeneities and initial data for which the exact solution of the original problem tends to the limit solution (as \\varepsilon\\to+0) on the entire time interval under consideration, also including a boundary-layer zone (that is, we solve the so-called initialization problem). The paper is of a theoretical nature and is designed to lead to a greater understanding of the problems in the theory of singular perturbations. There may be applications in various applied areas where models described by integro-differential equations are used (for example, in elasticity theory, the theory of electrical circuits, and so on).

  7. Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property prediction

    PubMed Central

    Willow, Soohaeng Yoo; Salim, Michael A.; Kim, Kwang S.; Hirata, So

    2015-01-01

    A direct, simultaneous calculation of properties of a liquid using an ab initio electron-correlated theory has long been unthinkable. Here we present structural, dynamical, and response properties of liquid water calculated by ab initio molecular dynamics using the embedded-fragment spin-component-scaled second-order many-body perturbation method with the aug-cc-pVDZ basis set. This level of theory is chosen as it accurately and inexpensively reproduces the water dimer potential energy surface from the coupled-cluster singles, doubles, and noniterative triples with the aug-cc-pVQZ basis set, which is nearly exact. The calculated radial distribution function, self-diffusion coefficient, coordinate number, and dipole moment, as well as the infrared and Raman spectra are in excellent agreement with experimental results. The shapes and widths of the OH stretching bands in the infrared and Raman spectra and their isotropic-anisotropic Raman noncoincidence, which reflect the diverse local hydrogen-bond environment, are also reproduced computationally. The simulation also reveals intriguing dynamic features of the environment, which are difficult to probe experimentally, such as a surprisingly large fluctuation in the coordination number and the detailed mechanism by which the hydrogen donating water molecules move across the first and second shells, thereby causing this fluctuation. PMID:26400690

  8. Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires

    NASA Astrophysics Data System (ADS)

    Kjærgaard, Thomas; Baudin, Pablo; Bykov, Dmytro; Eriksen, Janus Juul; Ettenhuber, Patrick; Kristensen, Kasper; Larkin, Jeff; Liakh, Dmitry; Pawłowski, Filip; Vose, Aaron; Wang, Yang Min; Jørgensen, Poul

    2017-03-01

    We present a scalable cross-platform hybrid MPI/OpenMP/OpenACC implementation of the Divide-Expand-Consolidate (DEC) formalism with portable performance on heterogeneous HPC architectures. The Divide-Expand-Consolidate formalism is designed to reduce the steep computational scaling of conventional many-body methods employed in electronic structure theory to linear scaling, while providing a simple mechanism for controlling the error introduced by this approximation. Our massively parallel implementation of this general scheme has three levels of parallelism, being a hybrid of the loosely coupled task-based parallelization approach and the conventional MPI +X programming model, where X is either OpenMP or OpenACC. We demonstrate strong and weak scalability of this implementation on heterogeneous HPC systems, namely on the GPU-based Cray XK7 Titan supercomputer at the Oak Ridge National Laboratory. Using the ;resolution of the identity second-order Møller-Plesset perturbation theory; (RI-MP2) as the physical model for simulating correlated electron motion, the linear-scaling DEC implementation is applied to 1-aza-adamantane-trione (AAT) supramolecular wires containing up to 40 monomers (2440 atoms, 6800 correlated electrons, 24 440 basis functions and 91 280 auxiliary functions). This represents the largest molecular system treated at the MP2 level of theory, demonstrating an efficient removal of the scaling wall pertinent to conventional quantum many-body methods.

  9. Fourth Generation CP Violation Effects on B{yields}K{pi}, {phi}K, and {rho}K in Next-to-Leading-Order Perturbative QCD

    SciTech Connect

    Hou Weishu; Li Hsiangnan; Mishima, Satoshi; Nagashima, Makiko

    2007-03-30

    We study the effect from a sequential fourth generation quark on penguin-dominated two-body nonleptonic B meson decays in the next-to-leading order perturbative QCD formalism. With an enhancement of the color-suppressed tree amplitude and possibility of a new CP phase in the electroweak penguin amplitude, we can account better for A{sub CP}(B{sup 0}{yields}K{sup +}{pi}{sup -})-A{sub CP}(B{sup +}{yields}K{sup +}{pi}{sup 0}). Taking |V{sub t{sup '}}{sub s}V{sub t{sup '}}{sub b}|{approx}0.02 with a phase just below 90 deg., which is consistent with the b{yields}sl{sup +}l{sup -} rate and the B{sub s} mixing parameter {delta}m{sub B{sub s}}, we find a downward shift in the mixing-induced CP asymmetries of B{sup 0}{yields}K{sub S}{pi}{sup 0} and {phi}K{sub S}. The predicted behavior for B{sup 0}{yields}{rho}{sup 0}K{sub S} is opposite.

  10. Periodic local Møller-Plesset second order perturbation theory method applied to molecular crystals: study of solid NH3 and CO2 using extended basis sets.

    PubMed

    Maschio, Lorenzo; Usvyat, Denis; Schütz, Martin; Civalleri, Bartolomeo

    2010-04-07

    We have calculated the equilibrium geometry, formation energy, and bulk modulus of two molecular bulk crystals, NH(3) and CO(2), at the periodic post-Hartree-Fock correlated level. The dependence of the results on the basis set has been analyzed, by employing basis sets up to aug-cc-pVQZ quality. In the calculations, we used the periodic local Møller-Plesset second order perturbation theory (LMP2), implemented in the CRYSCOR program. Multipolar expansion techniques, as well as density fitting, are employed in this code to reduce the number of and to factorize the required electron repulsion integrals; as a consequence of that, the computational cost for the correlation part of the calculations is comparable to that of the Hartree-Fock. Auxiliary calculations performed on molecular dimers are also reported to verify the accuracy of the LMP2 approach and of the basis sets used. Furthermore, the effect of spin-component scaling has been investigated for the two crystals. One intention of the present paper is also to lay out and specify the computational setup, which is generally applicable for accurate CRYSCOR calculations on molecular crystals.

  11. Thermoelastic analysis of non-uniform pressurized functionally graded cylinder with variable thickness using first order shear deformation theory(FSDT) and perturbation method

    NASA Astrophysics Data System (ADS)

    Khoshgoftar, M. J.; Mirzaali, M. J.; Rahimi, G. H.

    2015-11-01

    Recently application of functionally graded materials(FGMs) have attracted a great deal of interest. These materials are composed of various materials with different micro-structures which can vary spatially in FGMs. Such composites with varying thickness and non-uniform pressure can be used in the aerospace engineering. Therefore, analysis of such composite is of high importance in engineering problems. Thermoelastic analysis of functionally graded cylinder with variable thickness under non-uniform pressure is considered. First order shear deformation theory and total potential energy approach is applied to obtain the governing equations of non-homogeneous cylinder. Considering the inner and outer solutions, perturbation series are applied to solve the governing equations. Outer solution for out of boundaries and more sensitive variable in inner solution at the boundaries are considered. Combining of inner and outer solution for near and far points from boundaries leads to high accurate displacement field distribution. The main aim of this paper is to show the capability of matched asymptotic solution for different non-homogeneous cylinders with different shapes and different non-uniform pressures. The results can be used to design the optimum thickness of the cylinder and also some properties such as high temperature residence by applying non-homogeneous material.

  12. Massively parallel and linear-scaling algorithm for second-order Moller–Plesset perturbation theory applied to the study of supramolecular wires

    DOE PAGES

    Kjaergaard, Thomas; Baudin, Pablo; Bykov, Dmytro; ...

    2016-11-16

    Here, we present a scalable cross-platform hybrid MPI/OpenMP/OpenACC implementation of the Divide–Expand–Consolidate (DEC) formalism with portable performance on heterogeneous HPC architectures. The Divide–Expand–Consolidate formalism is designed to reduce the steep computational scaling of conventional many-body methods employed in electronic structure theory to linear scaling, while providing a simple mechanism for controlling the error introduced by this approximation. Our massively parallel implementation of this general scheme has three levels of parallelism, being a hybrid of the loosely coupled task-based parallelization approach and the conventional MPI +X programming model, where X is either OpenMP or OpenACC. We demonstrate strong and weak scalabilitymore » of this implementation on heterogeneous HPC systems, namely on the GPU-based Cray XK7 Titan supercomputer at the Oak Ridge National Laboratory. Using the “resolution of the identity second-order Moller–Plesset perturbation theory” (RI-MP2) as the physical model for simulating correlated electron motion, the linear-scaling DEC implementation is applied to 1-aza-adamantane-trione (AAT) supramolecular wires containing up to 40 monomers (2440 atoms, 6800 correlated electrons, 24 440 basis functions and 91 280 auxiliary functions). This represents the largest molecular system treated at the MP2 level of theory, demonstrating an efficient removal of the scaling wall pertinent to conventional quantum many-body methods.« less

  13. Massively parallel and linear-scaling algorithm for second-order Moller–Plesset perturbation theory applied to the study of supramolecular wires

    SciTech Connect

    Kjaergaard, Thomas; Baudin, Pablo; Bykov, Dmytro; Eriksen, Janus Juul; Ettenhuber, Patrick; Kristensen, Kasper; Larkin, Jeff; Liakh, Dmitry; Pawlowski, Filip; Vose, Aaron; Wang, Yang Min; Jorgensen, Poul

    2016-11-16

    Here, we present a scalable cross-platform hybrid MPI/OpenMP/OpenACC implementation of the Divide–Expand–Consolidate (DEC) formalism with portable performance on heterogeneous HPC architectures. The Divide–Expand–Consolidate formalism is designed to reduce the steep computational scaling of conventional many-body methods employed in electronic structure theory to linear scaling, while providing a simple mechanism for controlling the error introduced by this approximation. Our massively parallel implementation of this general scheme has three levels of parallelism, being a hybrid of the loosely coupled task-based parallelization approach and the conventional MPI +X programming model, where X is either OpenMP or OpenACC. We demonstrate strong and weak scalability of this implementation on heterogeneous HPC systems, namely on the GPU-based Cray XK7 Titan supercomputer at the Oak Ridge National Laboratory. Using the “resolution of the identity second-order Moller–Plesset perturbation theory” (RI-MP2) as the physical model for simulating correlated electron motion, the linear-scaling DEC implementation is applied to 1-aza-adamantane-trione (AAT) supramolecular wires containing up to 40 monomers (2440 atoms, 6800 correlated electrons, 24 440 basis functions and 91 280 auxiliary functions). This represents the largest molecular system treated at the MP2 level of theory, demonstrating an efficient removal of the scaling wall pertinent to conventional quantum many-body methods.

  14. MPI/OpenMP Hybrid Parallel Algorithm of Resolution of Identity Second-Order Møller-Plesset Perturbation Calculation for Massively Parallel Multicore Supercomputers.

    PubMed

    Katouda, Michio; Nakajima, Takahito

    2013-12-10

    A new algorithm for massively parallel calculations of electron correlation energy of large molecules based on the resolution of identity second-order Møller-Plesset perturbation (RI-MP2) technique is developed and implemented into the quantum chemistry software NTChem. In this algorithm, a Message Passing Interface (MPI) and Open Multi-Processing (OpenMP) hybrid parallel programming model is applied to attain efficient parallel performance on massively parallel supercomputers. An in-core storage scheme of intermediate data of three-center electron repulsion integrals utilizing the distributed memory is developed to eliminate input/output (I/O) overhead. The parallel performance of the algorithm is tested on massively parallel supercomputers such as the K computer (using up to 45 992 central processing unit (CPU) cores) and a commodity Intel Xeon cluster (using up to 8192 CPU cores). The parallel RI-MP2/cc-pVTZ calculation of two-layer nanographene sheets (C150H30)2 (number of atomic orbitals is 9640) is performed using 8991 node and 71 288 CPU cores of the K computer.

  15. NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals.

    PubMed

    Loibl, Stefan; Schütz, Martin

    2012-08-28

    An efficient method for the calculation of nuclear magnetic resonance (NMR) shielding tensors is presented, which treats electron correlation at the level of second-order Mo̸ller-Plesset perturbation theory. It uses spatially localized functions to span occupied and virtual molecular orbital spaces, respectively, which are expanded in a basis of gauge including atomic orbitals (GIAOs or London atomic orbitals). Doubly excited determinants are restricted to local subsets of the virtual space and pair energies with an interorbital distance beyond a certain threshold are omitted. Furthermore, density fitting is employed to factorize the electron repulsion integrals. Ordinary Gaussians are employed as fitting functions. It is shown that the errors in the resulting NMR shielding constant, introduced (i) by the local approximation and (ii) by density fitting, are very small or even negligible. The capabilities of the new program are demonstrated by calculations on some extended molecular systems, such as the cyclobutane pyrimidine dimer photolesion with adjacent nucleobases in the native intrahelical DNA double strand (ATTA sequence). Systems of that size were not accessible to correlated ab initio calculations of NMR spectra before. The presented method thus opens the door to new and interesting applications in this area.

  16. Effect of the nanocrystalline structure type on the optical properties of TiO2:Nd (1 at.%) thin films

    NASA Astrophysics Data System (ADS)

    Mazur, Michal; Wojcieszak, Damian; Kaczmarek, Danuta; Domaradzki, Jaroslaw; Zatryb, Grzegorz; Misiewicz, Jan; Morgiel, Jerzy

    2015-04-01

    Titanium dioxide thin films, each doped with the same amount of neodymium (1 at.%) were deposited by Low Pressure Hot Target Reactive Sputtering and High Energy Reactive Magnetron Sputtering processes in order to obtain anatase and rutile thin film structures respectively. The microstructure and phase composition were analyzed using the transmission electron microscopy method including high resolution electron microscopy imaging. The measurements of the optical properties showed, that both prepared thin films were transparent in the visible light range and had a low extinction coefficient of ca. 3 ṡ 10-3. The thin film with the anatase structure had a lower cut-off wavelength and refractive index and a higher value of optical energy band gap as-compared to the TiO2:Nd coating with the rutile structure. Simultaneously, more efficient photoluminescence emission was observed for the rutile thin films.

  17. Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

    NASA Astrophysics Data System (ADS)

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2015-09-01

    The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU's) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH3, CO2, formic acid, and benzene.

  18. Analytic Energy Gradients and Spin Multiplicities for Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting Approximation: An Efficient Implementation.

    PubMed

    Bozkaya, Uğur

    2014-10-14

    An efficient implementation of analytic energy gradients and spin multiplicities for the density-fitted orbital-optimized second-order perturbation theory (DF-OMP2) [Bozkaya, U. J. Chem. Theory Comput. 2014, 10, 2371-2378] is presented. The DF-OMP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the cost of single point analytic gradient computations with the orbital-optimized MP2 with the resolution of the identity approach (OO-RI-MP2) [Neese, F.; Schwabe, T.; Kossmann, S.; Schirmer, B.; Grimme, S. J. Chem. Theory Comput. 2009, 5, 3060-3073]. Our results demonstrate that the DF-OMP2 method provides substantially lower computational costs for analytic gradients than OO-RI-MP2. On average, the cost of DF-OMP2 analytic gradients is 9-11 times lower than that of OO-RI-MP2 for systems considered. We also consider aromatic bond dissociation energies, for which MP2 provides poor reaction energies. The DF-OMP2 method exhibits a substantially better performance than MP2, providing a mean absolute error of 2.5 kcal mol(-1), which is more than 9 times lower than that of MP2 (22.6 kcal mol(-1)). Overall, the DF-OMP2 method appears very helpful for electronically challenging chemical systems such as free radicals or other cases where standard MP2 proves unreliable. For such problematic systems, we recommend using DF-OMP2 instead of the canonical MP2 as a more robust method with the same computational scaling.

  19. Lattice extraction of K{yields}{pi}{pi} amplitudes to next-to-leading order in partially quenched and in full chiral perturbation theory

    SciTech Connect

    Laiho, Jack; Soni, Amarjit

    2005-01-01

    We show that it is possible to construct {epsilon}{sup '}/{epsilon} to next-to-leading order (NLO) using partially quenched chiral perturbation theory (PQChPT) from amplitudes that are computable on the lattice. We demonstrate that none of the needed amplitudes require 3-momentum on the lattice for either the full theory or the partially quenched theory; nondegenerate quark masses suffice. Furthermore, we find that the electro-weak penguin ({delta}I=3/2 and 1/2) contributions to {epsilon}{sup '}/{epsilon} in PQChPT can be determined to NLO using only degenerate (m{sub K}=m{sub {pi}}) K{yields}{pi} computations without momentum insertion. Issues pertaining to power divergent contributions, originating from mixing with lower dimensional operators, are addressed. Direct calculations of K{yields}{pi}{pi} at unphysical kinematics are plagued with enhanced finite volume effects in the (partially) quenched theory, but in simulations when the sea quark mass is equal to the up and down quark mass the enhanced finite volume effects vanish to NLO in PQChPT. In embedding the QCD penguin left-right operator onto PQChPT an ambiguity arises, as first emphasized by Golterman and Pallante. With one version [the 'PQS' (patially quenched singlet)] of the QCD penguin, the inputs needed from the lattice for constructing K{yields}{pi}{pi} at NLO in PQChPT coincide with those needed for the full theory. Explicit expressions for the finite logarithms emerging from our NLO analysis to the above amplitudes also are given.

  20. Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

    SciTech Connect

    Del Ben, Mauro Hutter, Jürg; VandeVondele, Joost

    2015-09-14

    The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU’s) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH{sub 3}, CO{sub 2}, formic acid, and benzene.

  1. Scattering of electromagnetic waves from 3D multilayer random rough surfaces based on the second-order small perturbation method: energy conservation, reflectivity, and emissivity.

    PubMed

    Sanamzadeh, Mohammadreza; Tsang, Leung; Johnson, Joel T; Burkholder, Robert J; Tan, Shurun

    2017-03-01

    A theoretical investigation of energy conservation, reflectivity, and emissivity in the scattering of electromagnetic waves from 3D multilayer media with random rough interfaces using the second-order small perturbation method (SPM2) is presented. The approach is based on the extinction theorem and develops integral equations for surface fields in the spectral domain. Using the SPM2, we calculate the scattered and transmitted coherent fields and incoherent fields. Reflected and transmitted powers are then found in the form of 2D integrations over wavenumber in the spectral domain. In the integrand, there is a summation over the spectral densities of each of the rough interfaces with each weighted by a corresponding kernel function. We show in this paper that there exists a "strong" condition of energy conservation in that the kernel functions multiplying the spectral density of each interface obey energy conservation exactly. This means that energy is conserved independent of the roughness spectral densities of the rough surfaces. Results of this strong condition are illustrated numerically for up to 50 rough interfaces without requiring specification of surface roughness properties. Two examples are illustrated. One is a multilayer configuration having weak contrasts between adjacent layers, random layer thicknesses, and randomly generated permittivity profiles. The second example is a photonic crystal of periodically alternating permittivities of larger dielectric contrast. The methodology is applied to study the effect of roughness on the brightness temperatures of the Antarctic ice sheet, which is characterized by layers of ice with permittivity fluctuations in addition to random rough interfaces. The results show that the influence of roughness can significantly increase horizontally polarized thermal emission while leaving vertically polarized emissions relatively unaffected.

  2. Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.

    PubMed

    Doser, Bernd; Lambrecht, Daniel S; Kussmann, Jörg; Ochsenfeld, Christian

    2009-02-14

    A Laplace-transformed second-order Moller-Plesset perturbation theory (MP2) method is presented, which allows to achieve linear scaling of the computational effort with molecular size for electronically local structures. Also for systems with a delocalized electronic structure, a cubic or even quadratic scaling behavior is achieved. Numerically significant contributions to the atomic orbital (AO)-MP2 energy are preselected using the so-called multipole-based integral estimates (MBIE) introduced earlier by us [J. Chem. Phys. 123, 184102 (2005)]. Since MBIE provides rigorous upper bounds, numerical accuracy is fully controlled and the exact MP2 result is attained. While the choice of thresholds for a specific accuracy is only weakly dependent upon the molecular system, our AO-MP2 scheme offers the possibility for incremental thresholding: for only little additional computational expense, the numerical accuracy can be systematically converged. We illustrate this dependence upon numerical thresholds for the calculation of intermolecular interaction energies for the S22 test set. The efficiency and accuracy of our AO-MP2 method is demonstrated for linear alkanes, stacked DNA base pairs, and carbon nanotubes: e.g., for DNA systems the crossover toward conventional MP2 schemes occurs between one and two base pairs. In this way, it is for the first time possible to compute wave function-based correlation energies for systems containing more than 1000 atoms with 10 000 basis functions as illustrated for a 16 base pair DNA system on a single-core computer, where no empirical restrictions are introduced and numerical accuracy is fully preserved.

  3. The role of atomic excited states of Au on N2O capture and activation: a multireference second-order perturbation theory study.

    PubMed

    Olvera-Neria, Oscar; Bertin, Virineya; Poulain, Enrique

    2010-12-28

    Nitrous oxide (N(2)O) is an intermediate compound formed during catalysis occurring in automobile exhaust pipes. Atomic Au in its ground state is unable to react with N(2)O, however, several Au excited states are bound to N(2)O, but not all of these states are able to activate N(2)O bonds. In this work, N(2)O capture and activation by a single Au atom are studied considering Au in the ground and excited states with multiplicities = 2, 4 and 6. The Au + N(2)O reactions are studied at multireference second-order perturbation level of theory using C(s) symmetry. The AuN(2)O ((4)A', (4)A'', (6)A' and (6)A'') adducts are spontaneously created from Au excited states. From these complexes, only the (4)A', (6)A' and (6)A'' states exhibit N(2)O activation reaction paths yielding N(2,) NO and O atoms as end products when N(2)O approaches Au excited states side-on. Cations both ground and excited states, capture N(2)O although only the Au(+) ((5)A') + N(2)O ((1)Σ(+)) → NAuNO(+) ((5)A') reaction (for the end-on and side-on approaches) shows N(2)O activation with N-N bond breaking. In the case of Au anions, the ground state and most of the excited states capture N(2)O and activation takes place according to Au(-) ((3)A', (5)A', (5)A'') + N(2)O ((1)Σ(+)) → AuO(-) ((3)A', (5)A', (5)A'') + N(2)(g) for the N(2)O end-on approach by the oxygen atom. The reaction paths show a metal-gas dative covalent bonding character. Mulliken charge population analysis obtained for the active states shows that the binding is done through charge donation and retro-donation between the metal and the N(2)O molecule.

  4. The role of atomic excited states of Au on N2O capture and activation: A multireference second-order perturbation theory study

    NASA Astrophysics Data System (ADS)

    Olvera-Neria, Oscar; Bertin, Virineya; Poulain, Enrique

    2010-12-01

    Nitrous oxide (N2O) is an intermediate compound formed during catalysis occurring in automobile exhaust pipes. Atomic Au in its ground state is unable to react with N2O, however, several Au excited states are bound to N2O, but not all of these states are able to activate N2O bonds. In this work, N2O capture and activation by a single Au atom are studied considering Au in the ground and excited states with multiplicities = 2, 4 and 6. The Au + N2O reactions are studied at multireference second-order perturbation level of theory using Cs symmetry. The AuN2O (4A', 4A'', 6A' and 6A'') adducts are spontaneously created from Au excited states. From these complexes, only the 4A', 6A' and 6A'' states exhibit N2O activation reaction paths yielding N2, NO and O atoms as end products when N2O approaches Au excited states side-on. Cations both ground and excited states, capture N2O although only the Au+ (5A') + N2O (1Σ+) → NAuNO+ (5A') reaction (for the end-on and side-on approaches) shows N2O activation with N-N bond breaking. In the case of Au anions, the ground state and most of the excited states capture N2O and activation takes place according to Au- (3A', 5A', 5A'') + N2O (1Σ+) → AuO- (3A', 5A', 5A'') + N2(g) for the N2O end-on approach by the oxygen atom. The reaction paths show a metal-gas dative covalent bonding character. Mulliken charge population analysis obtained for the active states shows that the binding is done through charge donation and retro-donation between the metal and the N2O molecule.

  5. A Communications Guide for Sustainable Development: How Interested Parties Become Partners, 2nd Edition

    SciTech Connect

    Fowler, Kimberly M.; Hund, Gretchen; Engel-Cox, Jill A.

    2016-03-06

    The 2nd edition is an updated version plus an e-book. This book was developed to assist organizations in designing and managing their communication and stakeholder involvement programs. The guidebook describes a step-by-step approach, provides case studies, and presents tools to consider. The book uses a scenario approach to outline changes an organization may confront, and provides a menu of communication and engagement activities that support organizational decision making.

  6. Summary and agreement statement of the 2nd International Conference on Concussion in Sport, Prague 2004

    PubMed Central

    McCrory, P; Johnston, K; Meeuwisse, W; Aubry, M; Cantu, R; Dvorak, J; Graf-Baumann, T; Kelly, J; Lovell, M; Schamasch, P

    2005-01-01

    In November 2001, the 1st International Symposium on Concussion in Sport was held in Vienna, Austria to provide recommendations for the improvement of safety and health of athletes who suffer concussive injuries in ice hockey, football (soccer), and other sports. The 2nd International Symposium on Concussion in Sport was organised by the same group and held in Prague, Czech Republic in November 2004. It resulted in a revision and update of the Vienna consensus recommendations, which are presented here.

  7. Summary and agreement statement of the 2nd International Conference on Concussion in Sport, Prague 2004

    PubMed Central

    McCrory, P; Johnston, K; Meeuwisse, W; Aubry, M; Cantu, R; Dvorak, J; Graf-Baumann, T; Kelly, J; Lovell, M; Schamasch, P

    2005-01-01

    In November 2001, the 1st International Symposium on Concussion in Sport was held in Vienna, Austria to provide recommendations for the improvement of safety and health of athletes who suffer concussive injuries in ice hockey, football (soccer), and other sports. The 2nd International Symposium on Concussion in Sport was organised by the same group and held in Prague, Czech Republic in November 2004. It resulted in a revision and update of the Vienna consensus recommendations, which are presented here. PMID:15793085

  8. Application research on enhancing near-infrared micro-imaging quality by 2nd derivative

    NASA Astrophysics Data System (ADS)

    Wang, Dong; Ma, Zhi-hong; Zhao, Liu; Wang, Bei-hong; Han, Ping; Pan, Li-gang; Wang, Ji-hua

    2013-08-01

    Near-infrared micro-imaging will not only provide the sample's spatial distribution information, but also the spectroscopic information of each pixel. In this thesis, it took the artificial sample of wheat flour and formaldehyde sodium sulfoxylate distribution given for example to research the data processing method for enhancing the quality of near-infrared micro-imaging. Near-infrared spectroscopic feature of wheat flour and formaldehyde sodium sulfoxylate being studied on, compare correlation imaging and 2nd derivative imaging were applied in the imaging processing of the near-infrared micro-image of the artificial sample. Furthermore, the two methods were combined, i.e. 2nd derivative compare correlation imaging was acquired. The result indicated that the difference of the correlation coefficients between the two substances, i.e. wheat flour and formaldehyde sodium sulfoxylate, and the reference spectrum has been increased from 0.001 in compare correlation image to 0.796 in 2nd derivative compare correlation image respectively, which enhances the imaging quality efficiently. This study will, to some extent, be of important reference significance to near-infrared micro-imaging method research of agricultural products and foods.

  9. NASA 2nd Generation RLV Program Introduction, Status and Future Plans

    NASA Technical Reports Server (NTRS)

    Dumbacher, Dan L.; Smith, Dennis E. (Technical Monitor)

    2002-01-01

    The Space Launch Initiative (SLI), managed by the Second Generation Reusable Launch Vehicle (2ndGen RLV) Program, was established to examine the possibility of revolutionizing space launch capabilities, define conceptual architectures, and concurrently identify the advanced technologies required to support a next-generation system. Initial Program funds have been allocated to design, evaluate, and formulate realistic plans leading to a 2nd Gen RLV full-scale development (FSD) decision by 2006. Program goals are to reduce both risk and cost for accessing the limitless opportunities afforded outside Earth's atmosphere fo civil, defense, and commercial enterprises. A 2nd Gen RLV architecture includes a reusable Earth-to-orbit launch vehicle, an on-orbit transport and return vehicle, ground and flight operations, mission planning, and both on-orbit and on-the-ground support infrastructures All segments of the architecture must advance in step with development of the RLV if a next-generation system is to be fully operational early next decade. However, experience shows that propulsion is the single largest contributor to unreliability during ascent, requires the largest expenditure of time for maintenance, and takes a long time to develop; therefore, propulsion is the key to meeting safety, reliability, and cost goals. For these reasons, propulsion is SLI's top technology investment area.

  10. Development of fetal intestinal length during 2nd-trimester in normal and pathologic pregnancies.

    PubMed

    Marnerides, Andreas; Ghazi, Sam; Sundberg, Anders; Papadogiannakis, Nikos

    2012-01-01

    Linear growth of the human fetal gastrointestinal tract is not often discussed in the literature, and little is known about the effects of chromosomal abnormalities and intrauterine growth restriction (IUGR) on intestinal length, especially during the 2nd trimester. Accurate evaluation of intestinal length and knowledge of normal and reference values are of clinical importance. For example, intestinal resection may be necessary in preterm infants with necrotizing enterocolitis or mid-gut volvulus, and the surgeon should use data to be judicious in the amount removed. Linear measurements are essential in evaluating fetal development ultrasonographically and are an integral part of the postmortem examination. The intestinal lengths of 203 2nd-trimester fetuses and premature infants were measured. Small intestine length (SIL), colon length (CL), total bowel length (TBL; TBL  =  SIL + CL), and the length of the appendix (AL) increased with gestational age. No differences between the genders were observed. Colon length increased secondary to maceration, but no such effects were shown on SIL, TBL, or AL. No differences were shown in relation to IUGR. Small intestine length, CL, and TBL, but not AL, were shorter in fetuses with trisomy 21. Appendix length was not affected by any of the studied factors. We propose that the measurement of the length of the appendix may be used as an additional parameter for the postmortem evaluation of gestational age. Furthermore, its assessment may have potential as an ultrasonographic indicator of gestational age, particularly for the 2nd trimester.

  11. Healing of rat mouth mucosa after irradiation with CO2, Nd:YAG, and CO2-Nd:YAG combination lasers.

    PubMed

    Luomanen, M; Rauhamaa-Mäkinen, R; Meurman, J H; Kosloff, T; Tiitta, O

    1994-08-01

    The healing process of wounds made by a combination laser was studied in 90 rats. The laser system enabled both separate and combined use of CO2 and Nd:YAG laser irradiations. The laser wounds and the control excision wounds made by alligator forceps appeared on both sides of the tongue. Specimens from the wound sites were taken immediately, 6 h, and 1, 2, 4, 7, 11, 21, 28, and 42 days after surgery. The wound-healing process was studied by macroscopic evaluation before preparing the specimens for light microscopy. Some differences were noted in the wound-healing process among the three groups into which the experimental animals were divided. Tissue coagulation damage was most extensive in the Nd:YAG laser sites, where it was observed in its full extent 4 days after surgery. Epithelial cells were seen to begin to proliferate in all the wounds 6 h after surgery. Re-epithelialization was completed by between 7 (CO2) and 21 days (Nd:YAG) at all the wound sites. The inflammatory cell infiltration was more prominent in the Nd:YAG and the CO2-Nd:YAG combination laser wounds than in the CO2 and excision wounds during healing. Tissue regeneration occurred faster with less contraction in the combination CO2-Nd:YAG wounds than in Nd:YAG wounds. The best macroscopic healing result was seen in the CO2 wound sites. The combination laser was effective both at cutting and at coagulating tissue. Combining the CO2 and Nd:YAG laser irradiation into one beam resulted in a greater incision depth than what could have been expected from using the two lasers separately.

  12. Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit relativistic effective core potential.

    PubMed

    Kim, Inkoo; Lee, Yoon Sup

    2014-10-28

    We report the formulation and implementation of KRCASPT2, a two-component multi-configurational second-order perturbation theory based on Kramers restricted complete active space self-consistent field (KRCASSCF) reference function, in the framework of the spin-orbit relativistic effective core potential. The zeroth-order Hamiltonian is defined as the sum of nondiagonal one-electron operators with generalized two-component Fock matrix elements as scalar factors. The Kramers symmetry within the zeroth-order Hamiltonian is maintained via the use of a state-averaged density, allowing a consistent treatment of degenerate states. The explicit expressions are derived for the matrix elements of the zeroth-order Hamiltonian as well as for the perturbation vector. The use of a fully variational reference function and nondiagonal operators in relativistic multi-configurational perturbation theory is reported for the first time. A series of initial calculations are performed on the ionization potential and excitation energies of the atoms of the 6p-block; the results display a significant improvement over those from KRCASSCF, showing a closer agreement with experimental results. Accurate atomic properties of the superheavy elements of the 7p-block are also presented, and the electronic structures of the low-lying excited states are compared with those of their lighter homologues.

  13. Mars Curriculum for K-12 Science Education, 2nd Edition, Making Tracks on Mars Teacher Resource and Activity Guide

    NASA Astrophysics Data System (ADS)

    Aubele, J. C.; Stanley, J.; Grochowski, A.; Jones, K.; Aragon, J.

    2012-03-01

    A Mars K-12 curriculum, created by the New Mexico Museum of Natural History & Science, is now in 2nd edition DVD, approved by NASA educational review, 508 compliant to ensure accessibility for people with disabilities, and applicable to MSL.

  14. PREFACE: 2nd International Conference on Innovative Materials, Structures and Technologies

    NASA Astrophysics Data System (ADS)

    Ručevskis, Sandris

    2015-11-01

    The 2nd International Conference on Innovative Materials, Structures and Technologies (IMST 2015) took place in Riga, Latvia from 30th September - 2nd October, 2015. The first event of the conference series, dedicated to the 150th anniversary of the Faculty of Civil Engineering of Riga Technical University, was held in 2013. Following the established tradition, the aim of the conference was to promote and discuss the latest results of industrial and academic research carried out in the following engineering fields: analysis and design of advanced structures and buildings; innovative, ecological and energy efficient building materials; maintenance, inspection and monitoring methods; construction technologies; structural management; sustainable and safe transport infrastructure; and geomatics and geotechnics. The conference provided an excellent opportunity for leading researchers, representatives of the industrial community, engineers, managers and students to share the latest achievements, discuss recent advances and highlight the current challenges. IMST 2015 attracted over 120 scientists from 24 countries. After rigorous reviewing, over 80 technical papers were accepted for publication in the conference proceedings. On behalf of the organizing committee I would like to thank all the speakers, authors, session chairs and reviewers for their efficient and timely effort. The 2nd International Conference on Innovative Materials, Structures and Technologies was organized by the Faculty of Civil Engineering of Riga Technical University with the support of the Latvia State Research Programme under the grant agreement "INNOVATIVE MATERIALS AND SMART TECHNOLOGIES FOR ENVIRONMENTAL SAFETY, IMATEH". I would like to express sincere gratitude to Juris Smirnovs, Dean of the Faculty of Civil Engineering, and Andris Chate, manager of the Latvia State Research Programme. Finally, I would like to thank all those who helped to make this event happen. Special thanks go to Diana

  15. 2ND EF Conference in Turbulent Heat Transfer, Manchester, UK 1998. Volume 1

    DTIC Science & Technology

    1998-06-01

    1WB.7C 1W1UC •v*ataj «vnlMlai i-V 1 iBriMHI MWBlaj fprriatfa ■ HSV Of»U» Ia»fUC T-4UC : BBIW OIJIHIIM 1 *>IMC T»«MC (g) (h) Figure 7 Local...t’ k THE UNIVERSITY y MANCHESTER UMIST 2nd EF Conference in TURBULENT HEAT TRANSFER Manchester, UK 1 998 Approved /or public vil...QXTALTTY INSPECTED 1 CONTENTS VOLUME I Session 1 : Heat Transfer Under Simple Shearing (Chairmen: B. E. Launder and T. J. Hanratty) Y. Na, D. V

  16. [Model and enlightenment from rescue of August 2nd Kunshan explosion casualty].

    PubMed

    Tan, Q; Qiu, H B; Sun, B W; Shen, Y M; Nie, L J; Zhang, H W

    2016-01-01

    On August 2nd, 2014, a massive dust explosion occurred in a factory of Kunshan, resulting in a mass casualty involving 185 burn patients. They were transported to 20 medical institutions in Jiangsu province and Shanghai. More than one thousand of medical personnel of our country participated in this emergency rescue, and satisfactory results were achieved. In this paper, the characteristics of this accident were analyzed, the positive effects of interdisciplinary cooperation were affirmed, and the contingency plan, rescue process and pattern, and reserve, organization and management of talents during this rescue process were reviewed retrospectively.

  17. Dynamic Recrystallization Behavior of a Coarse-Grained Mg-2Zn-2Nd Magnesium Alloy

    NASA Astrophysics Data System (ADS)

    Wang, Tong; Jonas, John J.; Yue, Stephen

    2017-02-01

    Compression tests were performed on samples of Mg-2Zn-2Nd at 673 K (400 °C) and at three different strain rates. At 0.1/s, three mechanisms of dynamic recrystallization (DRX) were observed to operate: discontinuous DRX (DDRX), twinning DRX (TDRX), and continuous DRX (CDRX). At 0.01/s, DDRX took place as a result of grain boundary bulging, followed by CDRX on further straining. At 0.001/s, only CDRX was observed. At a strain of 0.3, the activation of multiple DRX mechanisms in the 0.1/s samples produced the weakest deformation textures.

  18. Dissociation of the OCS{sup +} ion in low-lying electronic states studied using multiconfiguration second-order perturbation theory

    SciTech Connect

    Chen Bozhen; Chang Haibo; Huang Mingbao

    2006-08-07

    Complete active space self-consistent-field (CASSCF) and multiconfiguration second-order perturbation theory (CASPT2) calculations with atomic natural orbital basis sets were performed to investigate the S-loss direct dissociation of the 1 {sup 2}{pi}(X {sup 2}{pi}), 2 {sup 2}{pi}(A {sup 2}{pi}), 1 {sup 2}{sigma}{sup +}(B {sup 2}{sigma}{sup +}), 1 {sup 4}{sigma}{sup -}, 1 {sup 2}{sigma}{sup -}, and 1 {sup 2}{delta} states of the OCS{sup +} ion and the predissociations of the 1 {sup 2}{pi}, 2 {sup 2}{pi}, and 1 {sup 2}{sigma}{sup +} states. Our calculations indicate that the S-loss dissociation products of the OCS{sup +} ion in the six states are the ground-state CO molecule plus the S{sup +} ion in different electronic states. The CASPT2//CASSCF potential energy curves were calculated for the S-loss dissociation from the six states. The calculations indicate that the dissociation of the 1 {sup 4}{sigma}{sup -} state leads to the CO+S{sup +} ({sup 4}S{sub u}) products representing the first dissociation limit; the dissociations of the 1 {sup 2}{pi}, 1 {sup 2}{sigma}{sup -}, and 1 {sup 2}{delta} states lead to the CO+S{sup +}({sup 2}D{sub u}) products representing the second dissociation limit; and the dissociations of the 2 {sup 2}{pi} and 1 {sup 2}{sigma}{sup +} states lead to the CO+S{sup +}({sup 2}P{sub u}) products representing the third dissociation limit. Seams of the 1 {sup 2}{pi}-1 {sup 4}{sigma}{sup -}, 2 {sup 2}{pi}-1 {sup 4}{sigma}{sup -}, 2 {sup 2}{pi}-1 {sup 2}{sigma}{sup -}, 2 {sup 2}{pi}-1 {sup 2}{delta}, and 1 {sup 2}{sigma}{sup +}-1 {sup 4}{sigma}{sup -} potential energy surface intersections were calculated at the CASPT2 level, and the minima along the seams were located. The calculations indicate that within the experimental energy range (15.07-16.0 eV) the 2 {sup 2}{pi}(A {sup 2}{pi}) state can be predissociated by 1 {sup 4}{sigma}{sup -} forming the S{sup +}({sup 4}S{sub u}) ion and can undergo internal conversion to 1 {sup 2}{pi} followed by

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

    NASA Technical Reports Server (NTRS)

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

    1979-01-01

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

  20. [How to read and understand Registries for Evaluating Patient Outcomes: A User's Guide (2nd Edition)].

    PubMed

    Yang, Wei; Xie, Yan-Ming

    2013-09-01

    Registry studies (RS) get more and more attention in recent years because it can reflect the health care situations of the real world. There are a number of large scale RS for traditional Chinese medicine (TCM). RS are observational studies that can complement randomized controlled trials (RCT). RS have an irreplaceable position in real word study (RWS), especially for small probability events. There are some different characters and qualities in RS. Registries for Evaluating Patient Outcomes: A User's Guide (2nd Edition) was published by the agency for healthcare research and quality (AHRQ) in 2010. It described the details of how to establish, maintain, and evaluate RS, and using 38 RS samples to illustrate the possible problems in undertaking such research. The User's Guide (2nd Edition) provides a reliable reference document for RS. TCM injections post-marketing safety surveillance RS is a national program involving multiple centers in China. This program can further improve RS quality their application in China and is a good illustration of how to follow this guide accurately.

  1. The relation between 1st grade grey matter volume and 2nd grade math competence.

    PubMed

    Price, Gavin R; Wilkey, Eric D; Yeo, Darren J; Cutting, Laurie E

    2016-01-01

    Mathematical and numerical competence is a critical foundation for individual success in modern society yet the neurobiological sources of individual differences in math competence are poorly understood. Neuroimaging research over the last decade suggests that neural mechanisms in the parietal lobe, particularly the intraparietal sulcus (IPS) are structurally aberrant in individuals with mathematical learning disabilities. However, whether those same brain regions underlie individual differences in math performance across the full range of math abilities is unknown. Furthermore, previous studies have been exclusively cross-sectional, making it unclear whether variations in the structure of the IPS are caused by or consequences of the development of math skills. The present study investigates the relation between grey matter volume across the whole brain and math competence longitudinally in a representative sample of 50 elementary school children. Results show that grey matter volume in the left IPS at the end of 1st grade relates to math competence a year later at the end of 2nd grade. Grey matter volume in this region did not change over that year, and was still correlated with math competence at the end of 2nd grade. These findings support the hypothesis that the IPS and its associated functions represent a critical foundation for the acquisition of mathematical competence.

  2. Editorial: 2nd Special Issue on behavior change, health, and health disparities

    PubMed Central

    Higgins, Stephen T.

    2016-01-01

    This Special Issue of Preventive Medicine (PM) is the 2nd that we have organized on behavior change, health, and health disparities. This is a topic of fundamental importance to improving population health in the U.S. and other industrialized countries that are trying to more effectively manage chronic health conditions. There is broad scientific consensus that personal behavior patterns such as cigarette smoking, other substance abuse, and physical inactivity/obesity are among the most important modifiable causes of chronic disease and its adverse impacts on population health. As such behavior change needs to be a key component of improving population health. There is also broad agreement that while these problems extend across socioeconomic strata, they are overrepresented among more economically disadvantaged populations and contribute directly to the growing problem of health disparities. Hence, behavior change represents an essential step in curtailing that unsettling problem as well. In this 2nd Special Issue, we devote considerable space to the current U.S. prescription opioid addiction epidemic, a crisis that was not addressed in the prior Special Issue. We also continue to devote attention to the two largest contributors to preventable disease and premature death, cigarette smoking and physical inactivity/obesity as well as risks of co-occurrence of these unhealthy behavior patterns. Across each of these topics we included contributions from highly accomplished policymakers and scientists to acquaint readers with recent accomplishments as well as remaining knowledge gaps and challenges to effectively managing these important chronic health problems. PMID:26257372

  3. Scoping analysis of the Advanced Test Reactor using SN2ND

    SciTech Connect

    Wolters, E.; Smith, M.

    2012-07-26

    A detailed set of calculations was carried out for the Advanced Test Reactor (ATR) using the SN2ND solver of the UNIC code which is part of the SHARP multi-physics code being developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in DOE-NE. The primary motivation of this work is to assess whether high fidelity deterministic transport codes can tackle coupled dynamics simulations of the ATR. The successful use of such codes in a coupled dynamics simulation can impact what experiments are performed and what power levels are permitted during those experiments at the ATR. The advantages of the SN2ND solver over comparable neutronics tools are its superior parallel performance and demonstrated accuracy on large scale homogeneous and heterogeneous reactor geometries. However, it should be noted that virtually no effort from this project was spent constructing a proper cross section generation methodology for the ATR usable in the SN2ND solver. While attempts were made to use cross section data derived from SCALE, the minimal number of compositional cross section sets were generated to be consistent with the reference Monte Carlo input specification. The accuracy of any deterministic transport solver is impacted by such an approach and clearly it causes substantial errors in this work. The reasoning behind this decision is justified given the overall funding dedicated to the task (two months) and the real focus of the work: can modern deterministic tools actually treat complex facilities like the ATR with heterogeneous geometry modeling. SN2ND has been demonstrated to solve problems with upwards of one trillion degrees of freedom which translates to tens of millions of finite elements, hundreds of angles, and hundreds of energy groups, resulting in a very high-fidelity model of the system unachievable by most deterministic transport codes today. A space-angle convergence study was conducted to determine the meshing and angular cubature

  4. Perturbation theory in electron diffraction

    NASA Astrophysics Data System (ADS)

    Bakken, L. N.; Marthinsen, K.; Hoeier, R.

    1992-12-01

    The Bloch-wave approach is used for discussing multiple inelastic electron scattering and higher-order perturbation theory in inelastic high-energy electron diffraction. In contrast to previous work, the present work describes three-dimensional diffraction so that higher-order Laue zone (HOLZ) effects are incorporated. Absorption is included and eigenvalues and eigenvectors are calculated from a structure matrix with the inclusion of an absorptive potential. Centrosymmetric as well as non-centrosymmetric crystal structures are allowed. An iteration method with a defined generalized propagation function for solving the inelastic coupling equations is described. It is shown that a similar iteration method with the same propagation function can be used for obtaining higher-order perturbation terms for the wave-function when a perturbation is added to the crystal potential. Finally, perturbation theory by matrix calculations when a general perturbation is added to the structure matrix is considered.

  5. Perturbed effects at radiation physics

    NASA Astrophysics Data System (ADS)

    Külahcı, Fatih; Şen, Zekâi

    2013-09-01

    Perturbation methodology is applied in order to assess the linear attenuation coefficient, mass attenuation coefficient and cross-section behavior with random components in the basic variables such as the radiation amounts frequently used in the radiation physics and chemistry. Additionally, layer attenuation coefficient (LAC) and perturbed LAC (PLAC) are proposed for different contact materials. Perturbation methodology provides opportunity to obtain results with random deviations from the average behavior of each variable that enters the whole mathematical expression. The basic photon intensity variation expression as the inverse exponential power law (as Beer-Lambert's law) is adopted for perturbation method exposition. Perturbed results are presented not only in terms of the mean but additionally the standard deviation and the correlation coefficients. Such perturbation expressions provide one to assess small random variability in basic variables.

  6. Establishment of the World Health Organization 2(nd) International Standard for Factor XI, Plasma, Human.

    PubMed

    Wilmot, Helen; Hockley, Jason; Rigsby, Peter; Gray, Elaine

    2017-01-01

    The 1(st) International Standard (IS) for blood coagulation factor XI (FXI), plasma, has been successfully used for potency labeling of FXI therapeutics and for diagnosis of FXI deficiency in patients. With stocks of the 1(st) IS near depletion, a replacement is required. In addition to the functional activity value, assignment of an antigen value to the 2(nd) IS would allow harmonization of antigen assay methods and differentiation of patients who have low functional activity but normal antigen FXI levels from patients who have both low functional and antigen FXI levels. The aims of this study were, therefore, to assign FXI functional activity to the 2(nd) IS for FXI, plasma, and to additionally assign a new analyte, FXI antigen, to the same International Standard. The candidate material was prepared from double-spun, virology negative, normal plasma, which was pooled and filled into siliconized glass ampoules and subsequently freeze-dried. Assignment of the functional activity (FXI:C) value in International Units (IUs) was performed by one-stage clotting assay by 29 laboratories, relative to the 1(st) IS. The overall geometric mean (GM) was 0.71 IU/amp with extremely low inter-laboratory variability (expressed as geometric coefficient of variation) of 1.8%. The antigen value assignment was performed by 11 laboratories and was calculated relative to normal plasma pools, as is customary with new coagulation factor analytes. The amount of antigen present in 1 ml of normal plasma was taken to be 1 U. The overall GM for the antigen assays was 0.78 IU/amp with an inter-laboratory variation of 10%. The candidate (National Institute for Biological Standards and Control code, 15/180) was established by the World Health Organization (WHO) Expert Committee on Biological Standardization in 2016 as the WHO 2(nd) IS for blood coagulation FXI, plasma, with a functional activity value (FXI:C) of 0.71 IU/amp and an antigen value (FXI:Ag) of 0.78 IU/amp.

  7. Establishment of the World Health Organization 2nd International Standard for Factor XI, Plasma, Human

    PubMed Central

    Wilmot, Helen; Hockley, Jason; Rigsby, Peter; Gray, Elaine

    2017-01-01

    The 1st International Standard (IS) for blood coagulation factor XI (FXI), plasma, has been successfully used for potency labeling of FXI therapeutics and for diagnosis of FXI deficiency in patients. With stocks of the 1st IS near depletion, a replacement is required. In addition to the functional activity value, assignment of an antigen value to the 2nd IS would allow harmonization of antigen assay methods and differentiation of patients who have low functional activity but normal antigen FXI levels from patients who have both low functional and antigen FXI levels. The aims of this study were, therefore, to assign FXI functional activity to the 2nd IS for FXI, plasma, and to additionally assign a new analyte, FXI antigen, to the same International Standard. The candidate material was prepared from double-spun, virology negative, normal plasma, which was pooled and filled into siliconized glass ampoules and subsequently freeze-dried. Assignment of the functional activity (FXI:C) value in International Units (IUs) was performed by one-stage clotting assay by 29 laboratories, relative to the 1st IS. The overall geometric mean (GM) was 0.71 IU/amp with extremely low inter-laboratory variability (expressed as geometric coefficient of variation) of 1.8%. The antigen value assignment was performed by 11 laboratories and was calculated relative to normal plasma pools, as is customary with new coagulation factor analytes. The amount of antigen present in 1 ml of normal plasma was taken to be 1 U. The overall GM for the antigen assays was 0.78 IU/amp with an inter-laboratory variation of 10%. The candidate (National Institute for Biological Standards and Control code, 15/180) was established by the World Health Organization (WHO) Expert Committee on Biological Standardization in 2016 as the WHO 2nd IS for blood coagulation FXI, plasma, with a functional activity value (FXI:C) of 0.71 IU/amp and an antigen value (FXI:Ag) of 0.78 IU/amp. PMID:28373973

  8. Simultaneous Vibrant Soundbridge Implantation and 2nd Stage Auricular Reconstruction for Microtia with Aural Atresia

    PubMed Central

    Lim, Lynne Hsueh Yee; Xiang, Ling; del Prado, Jocelynne; Ee Chin, Ling; Beltrame, Millo Achille

    2011-01-01

    Aural atresia and severe microtia are associated malformations that result in problems with hearing and cosmesis, associated speech and language difficulties and diminished self-esteem. In cases where middle ear ossiculoplasty and aural atresia canalplasty are expected to give poor hearing outcomes that would eventually require the use of hearing aids, bone anchored hearing aids or active middle ear implants may be better options. This case report describes a simultaneous Vibrant Soundbridge implantation and 2nd stage auricular reconstruction with rib graft cartilage for an 11-year-old boy with grade III microtia and aural atresia 8 months after the 1st stage reconstruction. Audiometric results of the Vibrant Soundbridge aided ear were comparable to that of the contralateral hearing aid aided ear. PMID:26557321

  9. A Perpendicular Biased 2nd Harmonic Cavity for the Fermilab Booster

    SciTech Connect

    Tan, C. Y.; Dey, J.; Madrak, R. L.; Pellico, W.; Romanov, G.; Sun, D.; Terechkine, I.

    2015-07-13

    A perpendicular biased 2nd harmonic cavity is currently being designed for the Fermilab Booster. Its purpose cavity is to flatten the bucket at injection and thus change the longitudinal beam distribution so that space charge effects are decreased. It can also with transition crossing. The reason for the choice of perpendicular biasing over parallel biasing is that the Q of the cavity is much higher and thus allows the accelerating voltage to be a factor of two higher than a similar parallel biased cavity. This cavity will also provide a higher accelerating voltage per meter than the present folded transmission line cavity. However, this type of cavity presents technical challenges that need to be addressed. The two major issues are cooling of the garnet material from the effects of the RF and the cavity itself from eddy current heating because of the 15 Hz bias field ramp. This paper will address the technical challenge of preventing the garnet from overheating.

  10. Preliminary GPS orbit combination results of the IGS 2nd reprocessing campaign

    NASA Astrophysics Data System (ADS)

    Choi, Kevin

    2015-04-01

    International GNSS Service (IGS) has contributed to the International Terrestrial Reference Frame by reprocessing historic GPS network data and submitting Terrestrial Reference Frame solutions and Earth Rotation Parameters. For the 2nd reprocessing campaign, Analysis Centers (ACs) used up to 21 years of GPS observation data with daily integrations. IERS2010 conventions are applied to model the physical effects of the Earth. Total eight ACs have participated (7 Global solutions, and 2 Tide Gauge solutions) by reprocessing entire time series in a consistent way using the latest models and methodology. IGS combined daily SINEX TRF and EOP combinations have already been submitted to the IERS for ITRF2013. This presentation mainly focuses on the preliminary quality assessment of the reprocessed AC orbits. Quality of the orbit products are examined by examining the repeatability between daily AC satellite ephemeris. Power spectral analysis shows the background noise characteristics of each AC products, and its periodic behaviors.

  11. Automated CFD Database Generation for a 2nd Generation Glide-Back-Booster

    NASA Technical Reports Server (NTRS)

    Chaderjian, Neal M.; Rogers, Stuart E.; Aftosmis, Michael J.; Pandya, Shishir A.; Ahmad, Jasim U.; Tejmil, Edward

    2003-01-01

    A new software tool, AeroDB, is used to compute thousands of Euler and Navier-Stokes solutions for a 2nd generation glide-back booster in one week. The solution process exploits a common job-submission grid environment using 13 computers located at 4 different geographical sites. Process automation and web-based access to the database greatly reduces the user workload, removing much of the tedium and tendency for user input errors. The database consists of forces, moments, and solution files obtained by varying the Mach number, angle of attack, and sideslip angle. The forces and moments compare well with experimental data. Stability derivatives are also computed using a monotone cubic spline procedure. Flow visualization and three-dimensional surface plots are used to interpret and characterize the nature of computed flow fields.

  12. Improvement of a plasma uniformity of the 2nd ion source of KSTAR neutral beam injector

    SciTech Connect

    Jeong, S. H. Kim, T. S.; Lee, K. W.; Chang, D. H.; In, S. R.; Bae, Y. S.

    2014-02-15

    The 2nd ion source of KSTAR (Korea Superconducting Tokamak Advanced Research) NBI (Neutral Beam Injector) had been developed and operated since last year. A calorimetric analysis revealed that the heat load of the back plate of the ion source is relatively higher than that of the 1st ion source of KSTAR NBI. The spatial plasma uniformity of the ion source is not good. Therefore, we intended to identify factors affecting the uniformity of a plasma density and improve it. We estimated the effects of a direction of filament current and a magnetic field configuration of the plasma generator on the plasma uniformity. We also verified that the operation conditions of an ion source could change a uniformity of the plasma density of an ion source.

  13. Simultaneous Vibrant Soundbridge Implantation and 2nd Stage Auricular Reconstruction for Microtia with Aural Atresia.

    PubMed

    Lim, Lynne Hsueh Yee; Xiang, Ling; Del Prado, Jocelynne; Ee Chin, Ling; Beltrame, Millo Achille

    2011-07-01

    Aural atresia and severe microtia are associated malformations that result in problems with hearing and cosmesis, associated speech and language difficulties and diminished self-esteem. In cases where middle ear ossiculoplasty and aural atresia canalplasty are expected to give poor hearing outcomes that would eventually require the use of hearing aids, bone anchored hearing aids or active middle ear implants may be better options. This case report describes a simultaneous Vibrant Soundbridge implantation and 2(nd) stage auricular reconstruction with rib graft cartilage for an 11-year-old boy with grade III microtia and aural atresia 8 months after the 1(st) stage reconstruction. Audiometric results of the Vibrant Soundbridge aided ear were comparable to that of the contralateral hearing aid aided ear.

  14. The New 2nd-Generation SRF R&D Facility at Jefferson Lab: TEDF

    SciTech Connect

    Reece, Charles E.; Reilly, Anthony V.

    2012-09-01

    The US Department of Energy has funded a near-complete renovation of the SRF-based accelerator research and development facilities at Jefferson Lab. The project to accomplish this, the Technical and Engineering Development Facility (TEDF) Project has completed the first of two phases. An entirely new 3,100 m{sup 2} purpose-built SRF technical work facility has been constructed and was occupied in summer of 2012. All SRF work processes with the exception of cryogenic testing have been relocated into the new building. All cavity fabrication, processing, thermal treatment, chemistry, cleaning, and assembly work is collected conveniently into a new LEED-certified building. An innovatively designed 800 m2 cleanroom/chemroom suite provides long-term flexibility for support of multiple R&D and construction projects as well as continued process evolution. The characteristics of this first 2nd-generation SRF facility are described.

  15. Enabling the 2nd Generation in Space: Building Blocks for Large Scale Space Endeavours

    NASA Astrophysics Data System (ADS)

    Barnhardt, D.; Garretson, P.; Will, P.

    Today the world operates within a "first generation" space industrial enterprise, i.e. all industry is on Earth, all value from space is from bits (data essentially), and the focus is Earth-centric, with very limited parts of our population and industry participating in space. We are limited in access, manoeuvring, on-orbit servicing, in-space power, in-space manufacturing and assembly. The transition to a "Starship culture" requires the Earth to progress to a "second generation" space industrial base, which implies the need to expand the economic sphere of activity of mankind outside of an Earth-centric zone and into CIS-lunar space and beyond, with an equal ability to tap the indigenous resources in space (energy, location, materials) that will contribute to an expanding space economy. Right now, there is no comfortable place for space applications that are not discovery science, exploration, military, or established earth bound services. For the most part, space applications leave out -- or at least leave nebulous, unconsolidated, and without a critical mass -- programs and development efforts for infrastructure, industrialization, space resources (survey and process maturation), non-traditional and persistent security situational awareness, and global utilities -- all of which, to a far greater extent than a discovery and exploration program, may help determine the elements of a 2nd generation space capability. We propose a focus to seed the pre-competitive research that will enable global industry to develop the necessary competencies that we currently lack to build large scale space structures on-orbit, that in turn would lay the foundation for long duration spacecraft travel (i.e. key technologies in access, manoeuvrability, etc.). This paper will posit a vision-to-reality for a step wise approach to the types of activities the US and global space providers could embark upon to lay the foundation for the 2nd generation of Earth in space.

  16. Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-Pd.

    PubMed

    Hill, J Grant

    2013-09-30

    Auxiliary basis sets (ABS) specifically matched to the cc-pwCVnZ-PP and aug-cc-pwCVnZ-PP orbital basis sets (OBS) have been developed and optimized for the 4d elements Y-Pd at the second-order Møller-Plesset perturbation theory level. Calculation of the core-valence electron correlation energies for small to medium sized transition metal complexes demonstrates that the error due to the use of these new sets in density fitting is three to four orders of magnitude smaller than that due to the OBS incompleteness, and hence is considered negligible. Utilizing the ABSs in the resolution-of-the-identity component of explicitly correlated calculations is also investigated, where it is shown that i-type functions are important to produce well-controlled errors in both integrals and correlation energy. Benchmarking at the explicitly correlated coupled cluster with single, double, and perturbative triple excitations level indicates impressive convergence with respect to basis set size for the spectroscopic constants of 4d monofluorides; explicitly correlated double-ζ calculations produce results close to conventional quadruple-ζ, and triple-ζ is within chemical accuracy of the complete basis set limit.

  17. Electrically pumped all photonic crystal 2nd order DFB lasers arrays emitting at 2.3 μm

    NASA Astrophysics Data System (ADS)

    Adelin, B.; Gauthier-Lafaye, O.; Dubreuil, P.; Lecestre, A.; Rouillard, Y.; Bahriz, M.; Boissier, G.; Vicet, A.; Monmayrant, A.

    2017-03-01

    Single-mode, widely tunable laser diodes in the mid-infrared range are highly interesting for demanding spectroscopic applications involving multi-species discrimination. We report on an alternative approach using single frequency laser arrays. Single-mode laser arrays were fabricated using all-photonic-crystal electrically pumped distributed feedback cavities on GaSb. The fabricated lasers exhibit thresholds in the 3.2 kA/cm2 range in a continuous wave regime at room temperature. The maximum output power reaches 1 mW and single mode operation with a side-mode suppression ratio of 30 dB is demonstrated. These lasers were used to perform tunable diode laser absorption spectroscopy of several gases in standard gas cells. Continuous spectral coverage of a 40 nm band using 10 lasers seems an achievable goal using laser arrays with PhC lattice constant variations of 1 nm from laser to laser.

  18. Lensing Signals in the Hubble Ultra-deep Field using all 2nd-order Shape Deformations

    SciTech Connect

    Irwin, John; Shmakova, Marina; Anderson, Jay; /Rice U.

    2006-07-17

    The long exposure times of the HST Ultra-Deep Field plus the use of an empirically derived position-dependent PSF, have enabled us to measure a cardioid/displacement distortion map coefficient as well as improving upon the sextupole map coefficient. We confirmed that curved background galaxies are clumped on the same angular scale as found in the HST Deep Field North. The new cardioid/displacement map coefficient is strongly correlated to a product of the sextupole and quadrupole coefficients. One would expect to see such a correlation from fits to background galaxies with quadrupole and sextupole moments. Events that depart from this correlation are expected to arise from map coefficient changes due to lensing, and several galaxy subsets selected using this criteria are indeed clumped.

  19. Conference Proceedings: 2nd European Conference of Rehabilitation International; Disability in the Family. (Brighton, England, September 18-21, 1978)

    ERIC Educational Resources Information Center

    Royal Association for Disability and Rehabilitation, London (England).

    The conference proceedings of the 2nd European Conference of Rehabilitation International (1978) on the theme disability in the family contains the agenda and approximately 80 papers. National presentations consider the theme in papers by representatives of Finland, Hungary, Belgium, The Netherlands, Portugal, Hong Kong, India, The German…

  20. Curriculum on the Edge of Survival: How Schools Fail to Prepare Students for Membership in a Democracy. 2nd Edition

    ERIC Educational Resources Information Center

    Heller, Daniel

    2012-01-01

    Typically, school curriculum has been viewed through the lens of preparation for the workplace or higher education, both worthy objectives. However, this is not the only lens, and perhaps not even the most powerful one to use, if the goal is to optimize the educational system. "Curriculum on the Edge of Survival, 2nd Edition," attempts to define…

  1. Comparative analysis of 1st, 2nd, and 4th year MD students' attitudes toward Complementary Alternative Medicine (CAM)

    PubMed Central

    Riccard, Christopher P; Skelton, Michele

    2008-01-01

    Background To identify and report the attitudes and beliefs of 1st, 2nd, and 4th year medical students toward complementary alternative medicine (CAM). Methods The previously validated and reliability tested CHBQ was administered to medical students attending the University of South Florida School of Medicine. Results Significant changes were found between both 1st (46.0 ± 7.7) and 4th (37.8 ± 15.7) year students and 2nd (48.3 ± 7.8) and 4th (37.8 ± 15.7) year students. No significant difference was found between 1st (46.0 ± 7.7) and 2nd (48.3 ± 7.8) year students. When comparing scores based on gender, a significant difference was present between males (41.2 ± 12.2) and females (46.1 ± 11.0). Conclusion CHBQ scores were significantly more positive in both 1st and 2nd year medical students in comparison with 4th year student's scores. These findings suggest that as student exposure to allopathic techniques and procedures increases during the last year of medical school, their attitudes toward CAM decrease. Females were also significantly more likely to have stronger positive attitudes toward CAM than males, though both genders represented an overall positive attitude toward CAM. PMID:18799010

  2. The Hyphen as a Syllabification Cue in Reading Bisyllabic and Multisyllabic Words among Finnish 1st and 2nd Graders

    ERIC Educational Resources Information Center

    Häikiö, Tuomo; Bertram, Raymond; Hyönä, Jukka

    2016-01-01

    Finnish ABC books present words with hyphens inserted at syllable boundaries. Syllabification by hyphens is abandoned in the 2nd grade for bisyllabic words, but continues for words with three or more syllables. The current eye movement study investigated how and to what extent syllable hyphens in bisyllabic ("kah-vi" "cof-fee")…

  3. Give It a Shot! Toolkit for Nurses and Other Immunization Champions Working with Secondary Schools. 2nd Edition

    ERIC Educational Resources Information Center

    Boyer-Chu, Lynda; Wooley, Susan F.

    2008-01-01

    Adolescent immunization saves lives--but promoting immunization takes time and thought, and today's nurses and other health advocates are faced with a host of ever-expanding responsibilities in a time of reduced budgets and staff. This toolkit is thus structured as an easy and reliable resource. This 2nd edition contains: (1) a 64-page manual;…

  4. International Conference on Hyperbolic Problems (2nd). Theory, Numerical Methods and Applications, 14-18 March 1988

    DTIC Science & Technology

    1988-01-01

    SOlution of’ th icai Ele quations. Proceedings of (lie 2nd European Conference on Multigrid 3. - --- AND B. KoRSN (1997). A Non-linear Afiultq,’rid...of Aerospace Engineering Indian Institute of Science Bangalore, India A new upwind scheme called Kinetic Flux Vector Splitting (KFVS) method has been

  5. Perspectives on Art Therapy: The Proceedings of the Pittsburgh Conference on Art Therapy (2nd, Pittsburgh, Pennsylvania, May 20, 1977).

    ERIC Educational Resources Information Center

    Roth, Ellen A., Ed.; Rubin, Judith A., Ed.

    The proceedings of the 2nd annual Pittsburgh Conference on Art Therapy (with handicapped persons) consists of 44 items including full length papers, summaries of previously published papers, descriptions of workshops, and a limited number of abstracts (submitted by those who chose not to present a paper or workshop description). The papers are…

  6. Observation in a School without Walls: Peer Observation of Teaching in a 2nd-12th Grade Independent School

    ERIC Educational Resources Information Center

    Salvador, Josephine

    2012-01-01

    What happens when teachers start to observe each other's classes? How do teachers make meaning of observing and being observed? What effects, if any, does requiring peer observation have on the teaching community? This research explores these questions in a qualitative study of peer observation of teaching (POT) in the 2nd-12th grades of an…

  7. Wind-US Results for the AIAA 2nd Propulsion Aerodynamics Workshop

    NASA Technical Reports Server (NTRS)

    Dippold, Vance III; Foster, Lancert; Mankbadi, Mina

    2014-01-01

    This presentation contains Wind-US results presented at the 2nd Propulsion Aerodynamics Workshop. The workshop was organized by the American Institute of Aeronautics and Astronautics, Air Breathing Propulsion Systems Integration Technical Committee with the purpose of assessing the accuracy of computational fluid dynamics for air breathing propulsion applications. Attendees included representatives from government, industry, academia, and commercial software companies. Participants were encouraged to explore and discuss all aspects of the simulation process including the effects of mesh type and refinement, solver numerical schemes, and turbulence modeling. The first set of challenge cases involved computing the thrust and discharge coefficients for a 25deg conical nozzle for a range of nozzle pressure ratios between 1.4 and 7.0. Participants were also asked to simulate two cases in which the 25deg conical nozzle was bifurcated by a solid plate, resulting in vortex shedding (NPR=1.6) and shifted plume shock (NPR=4.0). A second set of nozzle cases involved computing the discharge and thrust coefficients for a convergent dual stream nozzle for a range of subsonic nozzle pressure ratios. The workshop committee also compared the plume mixing of these cases across various codes and models. The final test case was a serpentine inlet diffuser with an outlet to inlet area ratio of 1.52 and an offset of 1.34 times the inlet diameter. Boundary layer profiles, wall static pressure, and total pressure at downstream rake locations were examined.

  8. Plasmodium falciparum malaria in 1(st)-2(nd) century CE southern Italy.

    PubMed

    Marciniak, Stephanie; Prowse, Tracy L; Herring, D Ann; Klunk, Jennifer; Kuch, Melanie; Duggan, Ana T; Bondioli, Luca; Holmes, Edward C; Poinar, Hendrik N

    2016-12-05

    The historical record attests to the devastation malaria exacted on ancient civilizations, particularly the Roman Empire [1]. However, evidence for the presence of malaria during the Imperial period in Italy (1st-5th century CE) is based on indirect sources, such as historical, epigraphic, or skeletal evidence. Although these sources are crucial for revealing the context of this disease, they cannot establish the causative species of Plasmodium. Importantly, definitive evidence for the presence of malaria is now possible through the implementation of ancient DNA technology. As malaria is presumed to have been at its zenith during the Imperial period [1], we selected first or second molars from 58 adults from three cemeteries from this time: Isola Sacra (associated with Portus Romae, 1st-3rd century CE), Velia (1st-2nd century CE), and Vagnari (1st-4th century CE). We performed hybridization capture using baits designed from the mitochondrial (mtDNA) genomes of Plasmodium spp. on a prioritized subset of 11 adults (informed by metagenomic sequencing). The mtDNA sequences generated provided compelling phylogenetic evidence for the presence of P. falciparum in two individuals. This is the first genomic data directly implicating P. falciparum in Imperial period southern Italy in adults.

  9. Minimal Clinically Important Difference on Parkinson's Disease Sleep Scale 2nd Version

    PubMed Central

    Horváth, Krisztina; Aschermann, Zsuzsanna; Ács, Péter; Deli, Gabriella; Janszky, József; Komoly, Sámuel; Karádi, Kázmér; Kovács, Márton; Makkos, Attila; Faludi, Béla; Kovács, Norbert

    2015-01-01

    Background and Aims. The aim of the present study was to determine the estimates of minimal clinically important difference for Parkinson's Disease Sleep Scale 2nd version (PDSS-2) total score and dimensions. Methods. The subject population consisted of 413 PD patients. At baseline, MDS-UPDRS, Hoehn-Yahr Scale, Mattis Dementia Rating Scale, and PDSS-2 were assessed. Nine months later the PDSS-2 was reevaluated with the Patient-Reported Global Impression Improvement Scale. Both anchor-based techniques (within patients' score change method and sensitivity- and specificity-based method by receiver operating characteristic analysis) and distribution-based approaches (effect size calculations) were utilized to determine the magnitude of minimal clinically important difference. Results. According to our results, any improvements larger than −3.44 points or worsening larger than 2.07 points can represent clinically important changes for the patients. These thresholds have the effect size of 0.21 and −0.21, respectively. Conclusions. Minimal clinically important differences are the smallest change of scores that are subjectively meaningful to patients. Studies using the PDSS-2 as outcome measure should utilize the threshold of −3.44 points for detecting improvement or the threshold of 2.07 points for observing worsening. PMID:26539303

  10. Evaluation of a hand washing program for 2nd-graders.

    PubMed

    Tousman, Stuart; Arnold, Dani; Helland, Wealtha; Roth, Ruth; Heshelman, Nannatte; Castaneda, Oralia; Fischer, Emily; O'Neil, Kristen; Bileto, Stephanie

    2007-12-01

    The purpose of this project was to determine if a multiple-week learner-centered hand washing program could improve hand hygiene behaviors of 2nd-graders in a northern Illinois public school system. Volunteers from the Rockford Hand Washing Coalition went into 19 different classrooms for 4 consecutive weeks and taught a learner-centered program. The program consisted of interactive class discussions and activities using GlitterBug training devices and agar plate materials. A one-factor repeated measure analysis of variance indicated a statistically significant 34% decrease in the absenteeism rate for students in the intervention group. Chi-square analyses on agar plate data indicated that students had cleaner hands after washing. Qualitative data from parents and teachers indicated that a majority of the students were engaging in hand-washing behavior. These results indicate that integrating a learner-centered interactive program in a multiple-week structure can lead to improvement in hand hygiene behavior.

  11. Introduction of the 2nd Phase of the Integrated Hydrologic Model Intercomparison Project

    NASA Astrophysics Data System (ADS)

    Kollet, Stefan; Maxwell, Reed; Dages, Cecile; Mouche, Emmanuel; Mugler, Claude; Paniconi, Claudio; Park, Young-Jin; Putti, Mario; Shen, Chaopeng; Stisen, Simon; Sudicky, Edward; Sulis, Mauro; Ji, Xinye

    2015-04-01

    The 2nd Phase of the Integrated Hydrologic Model Intercomparison Project commenced in June 2013 with a workshop at Bonn University funded by the German Science Foundation and US National Science Foundation. Three test cases were defined and compared that are available online at www.hpsc-terrsys.de including a tilted v-catchment case; a case called superslab based on multiple slab-heterogeneities in the hydraulic conductivity along a hillslope; and the Borden site case, based on a published field experiment. The goal of this phase is to further interrogate the coupling of surface-subsurface flow implemented in various integrated hydrologic models; and to understand and quantify the impact of differences in the conceptual and technical implementations on the simulation results, which may constitute an additional source of uncertainty. The focus has been broadened considerably including e.g. saturated and unsaturated subsurface storages, saturated surface area, ponded surface storage in addition to discharge, and pressure/saturation profiles and cross-sections. Here, first results are presented and discussed demonstrating the conceptual and technical challenges in implementing essentially the same governing equations describing highly non-linear moisture redistribution processes and surface-groundwater interactions.

  12. Studies with Ferrous Sulfamate and Alternate Reductants for 2nd Uranium Cycle

    SciTech Connect

    Crowder, M.L.

    2003-01-15

    A wide range of miniature mixer-settler tests were conducted to determine the source of iron and sulfur contamination in the uranium product stream (''1EU'') of H Canyon's 2nd Uranium Cycle. The problem was reproduced on the laboratory scale mixer-settlers by changing the feed location of ferrous sulfamate from stage D4 to stage D1. Other process variables effected no change. It was later determined that ferrous sulfamate (FS) solids had plugged the FS line to stage D4, causing FS to backup a ventline and enter the Canyon process at stage D1. Pluggage was almost certainly due to precipitation of FS solids during extended process downtime. During the search for the root cause, tests showed that FS solids were quite small (1-10 mm), and a portion of them could bypass the current Canyon prefilter (3-mm). Also, additional tests were done to find an alternate means of reducing and thereby removing plutonium and neptunium from the uranium product. These tests showed that FS was a more effective reductant than either ascorbic acid or a hydroxylamine nitrate (HAN) / dilute FS combination.

  13. Covariant Bardeen perturbation formalism

    NASA Astrophysics Data System (ADS)

    Vitenti, S. D. P.; Falciano, F. T.; Pinto-Neto, N.

    2014-05-01

    In a previous work we obtained a set of necessary conditions for the linear approximation in cosmology. Here we discuss the relations of this approach with the so-called covariant perturbations. It is often argued in the literature that one of the main advantages of the covariant approach to describe cosmological perturbations is that the Bardeen formalism is coordinate dependent. In this paper we will reformulate the Bardeen approach in a completely covariant manner. For that, we introduce the notion of pure and mixed tensors, which yields an adequate language to treat both perturbative approaches in a common framework. We then stress that in the referred covariant approach, one necessarily introduces an additional hypersurface choice to the problem. Using our mixed and pure tensors approach, we are able to construct a one-to-one map relating the usual gauge dependence of the Bardeen formalism with the hypersurface dependence inherent to the covariant approach. Finally, through the use of this map, we define full nonlinear tensors that at first order correspond to the three known gauge invariant variables Φ, Ψ and Ξ, which are simultaneously foliation and gauge invariant. We then stress that the use of the proposed mixed tensors allows one to construct simultaneously gauge and hypersurface invariant variables at any order.

  14. Renormalized Lie perturbation theory

    SciTech Connect

    Rosengaus, E.; Dewar, R.L.

    1981-07-01

    A Lie operator method for constructing action-angle transformations continuously connected to the identity is developed for area preserving mappings. By a simple change of variable from action to angular frequency a perturbation expansion is obtained in which the small denominators have been renormalized. The method is shown to lead to the same series as the Lagrangian perturbation method of Greene and Percival, which converges on KAM surfaces. The method is not superconvergent, but yields simple recursion relations which allow automatic algebraic manipulation techniques to be used to develop the series to high order. It is argued that the operator method can be justified by analytically continuing from the complex angular frequency plane onto the real line. The resulting picture is one where preserved primary KAM surfaces are continuously connected to one another.

  15. Overview of the 2nd Gen 3.7m HIAD Static Load Test

    NASA Technical Reports Server (NTRS)

    Swanson, G. T.; Kazemba, C. D.; Johnson, R. K.; Hughes, S. J.; Calomino, A. M.; Cheatwood, F. M.; Cassell, A. M.; Anderson, P.; Lowery, A.

    2015-01-01

    To support NASAs long term goal of landing humans on Mars, technologies which enable the landing of heavy payloads are being developed. Current entry, decent, and landing technologies are not practical for human class payloads due to geometric constraints dictated by current launch vehicle fairing limitations. Therefore, past and present technologies are now being explored to provide a mass and volume efficient solution to atmospheric entry, including Hypersonic Inflatable Aerodynamic Decelerators (HIADs). In October of 2014, a 3.7m HIAD inflatable structure with an integrated flexible thermal protection sys-tem (F-TPS) was subjected to a static load test series to verify the designs structural performance. The 3.7m HIAD structure was constructed in a 70 deg sphere-cone stacked-toroid configuration using eight inflatable tori, which were joined together using adhesives and high strength textile webbing to help distribute the loads throughout the inflatable structure. The inflatable structure was fabricated using 2nd generation structural materials that permit an increase in use temperature to 400 C+ as compared to the 250 C limitation of the 1st generation materials. In addition to the temperature benefit, these materials also offer a 40 reduction in structure mass. The 3.7m F-TPS was fabricated using high performance materials to protect the inflatable structure from heat loads that would be seen during atmospheric entry. The F-TPS was constructed of 2nd generation TPS materials increasing its heating capability from 35W sq cm to over 100W sq cm. This test article is the first stacked-torus HIAD to be fabricated and tested with a 70 deg sphere-cone. All previous stacked-torus HIADs have employed a 60o sphere-cone. To perform the static load test series, a custom test fixture was constructed. The fixture consisted of a structural tub rim with enough height to allow for dis-placement of the inflatable structure as loads were applied. The tub rim was attached to the

  16. Madeira Extreme Floods: 2009/2010 Winter. Case study - 2nd and 20th of February

    NASA Astrophysics Data System (ADS)

    Pires, V.; Marques, J.; Silva, A.

    2010-09-01

    Floods are at world scale the natural disaster that affects a larger fraction of the population. It is a phenomenon that extends it's effects to the surrounding areas of the hydrographic network (basins, rivers, dams) and the coast line. Accordingly to USA FEMA (Federal Emergency Management Agency) flood can be defined as:"A general and temporary condition of partial or complete inundation of two or more acres of normally dry land area or of two or more properties from: Overflow of inland or tidal waters; Unusual and rapid accumulation or runoff of surface waters from any source; Mudflow; Collapse or subsidence of land along the shore of a lake or similar body of water as a result of erosion or undermining caused by waves or currents of water exceeding anticipated cyclical levels that result in a flood as defined above." A flash flood is the result of intense and long duration of continuous precipitation and can result in dead casualties (i.e. floods in mainland Portugal in 1967, 1983 and 1997). The speed and strength of the floods either localized or over large areas, results in enormous social impacts either by the loss of human lives and or the devastating damage to the landscape and human infrastructures. The winter of 2009/2010 in Madeira Island was characterized by several episodes of very intense precipitation (specially in December 2009 and February 2010) adding to a new record of accumulated precipitation since there are records in the island. In February two days are especially rainy with absolute records for the month of February (daily records since 1949): 111mm and 97mm on the 2nd and 20th respectively. The accumulated precipitation ended up with the terrible floods on the 20th of February causing the lost of dozens of human lives and hundreds of millions of Euros of losses The large precipitation occurrences either more intense precipitation in a short period or less intense precipitation during a larger period are sometimes the precursor of

  17. CGC/saturation approach: A new impact-parameter-dependent model in the next-to-leading order of perturbative QCD

    NASA Astrophysics Data System (ADS)

    Contreras, Carlos; Levin, Eugene; Meneses, Rodrigo; Potashnikova, Irina

    2016-12-01

    This paper is the first attempt to build a color glass condensate/saturation model based on the next-to-leading-order (NLO) corrections to linear and nonlinear evolution in QCD. We assume that the renormalization scale is the saturation momentum and find that the scattering amplitude has geometric scaling behavior deep in the saturation domain with the explicit formula of this behavior at large τ =r2Qs2. We build a model that includes this behavior, as well as the known ingredients: (i) the behavior of the scattering amplitude in the vicinity of the saturation momentum, using the NLO Balitsky-Fadin-Kuraev-Lipatov kernel, (ii) the pre-asymptotic behavior of ln (Qs2(Y ) ) , as a function of Y , and (iii) the impact parameter behavior of the saturation momentum, which has exponential behavior ∝exp (-m b ) at large b . We demonstrate that the model is able to describe the experimental data for the deep inelastic structure function. Despite this, our model has difficulties that are related to the small value of the QCD coupling at Qs(Y0) and the large values of the saturation momentum, which indicate the theoretical inconsistency of our description.

  18. The Ratio of 2nd to 4th Digit Length in Korean Alcohol-dependent Patients

    PubMed Central

    Han, Changwoo; Bae, Hwallip; Lee, Yu-Sang; Won, Sung-Doo; Kim, Dai Jin

    2016-01-01

    Objective The ratio of 2nd to 4th digit length (2D:4D) is a sexually dimorphic trait. Men have a relatively shorter second digit than fourth digit. This ratio is thought to be influenced by higher prenatal testosterone level or greater sensitivity to androgen. The purpose of this study is to investigate the relationship between alcohol dependence and 2D:4D in a Korean sample and whether 2D:4D can be a biologic marker in alcohol dependence. Methods In this study, we recruited 87 male patients with alcohol dependence from the alcohol center of one psychiatric hospital and 52 healthy male volunteers who were all employees in the same hospital as controls. We captured images of the right and left hands of patients and controls using a scanner and extracted data with a graphics program. We measured the 2D:4D of each hand and compared the alcohol dependence group with the control group. We analyzed these ratios using an independent-samples t-test. Results The mean 2D:4D of patients was 0.934 (right hand) and 0.942 (left hand), while the mean 2D:4D of controls was 0.956 (right hand) and 0.958 (left hand). Values for both hands were significantly lower for patients than controls (p<0.001, right hand; p=0.004, left hand). Conclusion Patients who are alcohol dependent have a significantly lower 2D:4D than controls, similar to the results of previous studies, which suggest that a higher prenatal testosterone level in the gonadal period is related to alcoholism. Furthermore, 2D:4D is a possible predictive marker of alcohol dependence. PMID:27121425

  19. PREFACE: 2nd International Conference on Competitive Materials and Technological Processes (IC-CMTP2)

    NASA Astrophysics Data System (ADS)

    László, Gömze A.

    2013-12-01

    Competitiveness is one of the most important factors in our life and it plays a key role in the efficiency both of organizations and societies. The more scientifically supported and prepared organizations develop more competitive materials with better physical, chemical and biological properties and the leading companies apply more competitive equipment and technology processes. The aims of the 2nd International Conference on Competitive Materials and Technology Processes (ic-cmtp2) are the following: Promote new methods and results of scientific research in the fields of material, biological, environmental and technology sciences; Change information between the theoretical and applied sciences as well as technical and technological implantations. Promote the communication between the scientist of different nations, countries and continents. Among the major fields of interest are materials with extreme physical, chemical, biological, medical, thermal, mechanical properties and dynamic strength; including their crystalline and nano-structures, phase transformations as well as methods of their technological processes, tests and measurements. Multidisciplinary applications of materials science and technological problems encountered in sectors like ceramics, glasses, thin films, aerospace, automotive and marine industry, electronics, energy, construction materials, medicine, biosciences and environmental sciences are of particular interest. In accordance to the program of the conference ic-cmtp2, more than 250 inquiries and registrations from different organizations were received. Researchers from 36 countries in Asia, Europe, Africa, North and South America arrived at the venue of conference. Including co-authors, the research work of more than 500 scientists are presented in this volume. Professor Dr Gömze A László Chair, ic-cmtp2 The PDF also contains lists of the boards, session chairs and sponsors.

  20. Conference Report on the 2nd International Symposium on Lithium Applications for Fusion Devices

    NASA Astrophysics Data System (ADS)

    Ono, M.; Bell, M. G.; Hirooka, Y.; Kaita, R.; Kugel, H. W.; Mazzitelli, G.; Menard, J. E.; Mirnov, S. V.; Shimada, M.; Skinner, C. H.; Tabares, F. L.

    2012-03-01

    The 2nd International Symposium on Lithium Applications for Fusion Devices (ISLA-2011) was held on 27-29 April 2011 at the Princeton Plasma Physics Laboratory (PPPL) with broad participation from the community working on aspects of lithium research for fusion energy development. This community is expanding rapidly in many areas including experiments in magnetic confinement devices and a variety of lithium test stands, theory and modeling and developing innovative approaches. Overall, 53 presentations were given representing 26 institutions from 10 countries. The latest experimental results from nine magnetic fusion devices were given in 24 presentations, from NSTX (PPPL, USA), LTX (PPPL, USA), FT-U (ENEA, Italy), T-11M (TRINITY, RF), T-10 (Kurchatov Institute, RF), TJ-II (CIEMAT, Spain), EAST (ASIPP, China), HT-7 (ASIPP, China), and RFX (Padova, Italy). Sessions were devoted to: I. Lithium in magnetic confinement experiments (facility overviews), II. Lithium in magnetic confinement experiments (topical issues), III. Special session on liquid lithium technology, IV. Lithium laboratory test stands, V. Lithium theory/modeling/comments, VI. Innovative lithium applications and VII. Panel discussion on lithium PFC viability in magnetic fusion reactors. There was notable participation from the fusion technology communities, including the IFE, IFMIF and TBM communities providing productive exchanges with the physics oriented magnetic confinement lithium research groups. It was agreed to continue future exchanges of ideas and data to help develop attractive liquid lithium solutions for very challenging magnetic fusion issues, such as development of a high heat flux steady-state divertor concept and acceptable plasma disruption mitigation techniques while improving plasma performance with lithium. The next workshop will be held at ENEA, Frascati, Italy in 2013.

  1. The Influence of Instructional Climates on Time Spent in Management Tasks and Physical Activity of 2nd-Grade Students during Physical Education

    ERIC Educational Resources Information Center

    Logan, Samuel W.; Robinson, Leah E.; Webster, E. Kipling; Rudisill, Mary E.

    2015-01-01

    The purpose of this study is to determine the effect of two physical education (PE) instructional climates (mastery, performance) on the percentage of time students spent in a) moderate-to-vigorous physical activity (MVPA) and b) management tasks during PE in 2nd-grade students. Forty-eight 2nd graders (mastery, n = 23; performance, n = 25)…

  2. Evaluation of the Battelle Developmental Inventory, 2nd Edition, Screening Test for Use in States' Child Outcomes Measurement Systems under the Individuals with Disabilities Education Act

    ERIC Educational Resources Information Center

    Elbaum, Batya; Gattamorta, Karina A.; Penfield, Randall D.

    2010-01-01

    This study evaluated the Battelle Developmental Inventory, 2nd Edition, Screening Test (BDI-2 ST) for use in states' child outcomes accountability systems under the Individuals with Disabilities Education Act. Complete Battelle Developmental Inventory, 2nd Edition (BDI-2), assessment data were obtained for 142 children, ages 2 to 62 months, who…

  3. Kato expansion in quantum canonical perturbation theory

    NASA Astrophysics Data System (ADS)

    Nikolaev, Andrey

    2016-06-01

    This work establishes a connection between canonical perturbation series in quantum mechanics and a Kato expansion for the resolvent of the Liouville superoperator. Our approach leads to an explicit expression for a generator of a block-diagonalizing Dyson's ordered exponential in arbitrary perturbation order. Unitary intertwining of perturbed and unperturbed averaging superprojectors allows for a description of ambiguities in the generator and block-diagonalized Hamiltonian. We compare the efficiency of the corresponding computational algorithm with the efficiencies of the Van Vleck and Magnus methods for high perturbative orders.

  4. Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference.

    PubMed

    Chen, Zhenhua; Chen, Xun; Ying, Fuming; Gu, Junjing; Zhang, Huaiyu; Wu, Wei

    2014-10-07

    Using the formulas and techniques developed in Papers I and II of this series, the recently developed second-order perturbation theory based on a valence bond self-consistent field reference function (VBPT2) has been extended by using the internally contracted correction wave function. This ansatz strongly reduces the size of the interaction space compared to the uncontracted wave function and thus improves the capability of the VBPT2 method dramatically. Test calculations show that internally contracted VBPT2 using only a small number of reference valence bond functions, can give results as accuracy as the VBPT2 method and other more sophisticated methods such as full configuration interaction and multireference configuration interaction.

  5. Complete active space second order perturbation theory (CASPT2) study of N(2D) + H2O reaction paths on D1 and D0 potential energy surfaces: Direct and roaming pathways

    NASA Astrophysics Data System (ADS)

    Isegawa, Miho; Liu, Fengyi; Maeda, Satoshi; Morokuma, Keiji

    2014-10-01

    We report reaction paths starting from N(2D) + H2O for doublet spin states, D0 and D1. The potential energy surfaces are explored in an automated fashion using the global reaction route mapping strategy. The critical points and reaction paths have been fully optimized at the complete active space second order perturbation theory level taking all valence electrons in the active space. In addition to direct dissociation pathways that would be dominant, three roaming processes, two roaming dissociation, and one roaming isomerization: (1) H2ON → H-O(H)N → H-HON → NO(2Π) + H2, (2) cis-HNOH → HNO-H → H-HNO → NO + H2, (3) H2NO → H-HNO → HNO-H → trans-HNOH, are confirmed on the D0 surface.

  6. The atom in an intense optical field (2nd revised and enlarged edition)

    NASA Astrophysics Data System (ADS)

    Delone, N. B.; Krainov, V. P.

    The basic features characterizing multiphoton processes are examined, and descriptions are given of such phenomena as the multiphoton ionization of atoms, multiphoton resonance, and the perturbation of the bound-state spectrum in atoms in an optical field. The design of an experiment for measuring the interaction of laser radiation with atoms is proposed. Particular attention is given to nonlinear atomic susceptibilities, the effect of multifrequency laser radiation, and the behavior of highly excited atoms in an intense optical field.

  7. Causal compensated perturbations in cosmology

    NASA Technical Reports Server (NTRS)

    Veeraraghavan, Shoba; Stebbins, Albert

    1990-01-01

    A theoretical framework is developed to calculate linear perturbations in the gravitational and matter fields which arise causally in response to the presence of stiff matter sources in a FRW cosmology. It is shown that, in order to satisfy energy and momentum conservation, the gravitational fields of the source must be compensated by perturbations in the matter and gravitational fields, and the role of such compensation in containing the initial inhomogeneities in their subsequent evolution is discussed. A complete formal solution is derived in terms of Green functions for the perturbations produced by an arbitrary source in a flat universe containing cold dark matter. Approximate Green function solutions are derived for the late-time density perturbations and late-time gravitational waves in a universe containing a radiation fluid. A cosmological energy-momentum pseudotensor is defined to clarify the nature of energy and momentum conservation in the expanding universe.

  8. Differential contribution of specific working memory components to mathematics achievement in 2nd and 3rd graders.

    PubMed

    Meyer, M L; Salimpoor, V N; Wu, S S; Geary, D C; Menon, V

    2010-04-01

    The contribution of the three core components of working memory (WM) to the development of mathematical skills in young children is poorly understood. The relation between specific WM components and Numerical Operations, which emphasize computation and fact retrieval, and Mathematical Reasoning, which emphasizes verbal problem solving abilities in 48 2nd and 50 3rd graders was assessed using standardized WM and mathematical achievement measures. For 2nd graders, the central executive and phonological components predicted Mathematical Reasoning skills; whereas the visuo-spatial component predicted both Mathematical Reasoning and Numerical Operations skills in 3rd graders. This pattern suggests that the central executive and phonological loop facilitate performance during early stages of mathematical learning whereas visuo-spatial representations play an increasingly important role during later stages. We propose that these changes reflect a shift from prefrontal to parietal cortical functions during mathematical skill acquisition. Implications for learning and individual differences are discussed.

  9. [Re-operations for 2nd primary lung cancer detected during follow-up after lung cancer surgery].

    PubMed

    Tsuchida, Masanori

    2013-07-01

    Re-operations for 2nd primary lung cancers are one of the most challenging modality for thoracic surgeons. Surgeons should have knowledge of indication of re-operations as well as surgical techniques and perioperative management of patients with 2nd primary lung cancers. When performing repeated pulmonary resection on the same side of the 1st surgery, following points are important for accomplishment of a safe re-operation:1.Wide thoracotomy with muscle dissections is recommended. 2.Throughout adhesion lysis between lung parenchyma and surrounding structures are required before manipulating pulmonary vessels. 3.The main pulmonary artery is encircled before dissection of the pulmonary artery. 4.Surgeons should be familiar with intrapericardial exposure of the main pulmonary artery. The techniques consist of division of the ligament of arteriosum, incision of the pericardium, and encircle of the origin of the mail pulmonary. Re-operations for metachronous lung cancers provided favorable survival in patients with adequate physiologic pulmonary reserve.

  10. Teachers' Spatial Anxiety Relates to 1st-and 2nd-Graders' Spatial Learning

    ERIC Educational Resources Information Center

    Gunderson, Elizabeth A.; Ramirez, Gerardo; Beilock, Sian L.; Levine, Susan C.

    2013-01-01

    Teachers' anxiety about an academic domain, such as math, can impact students' learning in that domain. We asked whether this relation held in the domain of spatial skill, given the importance of spatial skill for success in math and science and its malleability at a young age. We measured 1st-and 2nd-grade teachers' spatial anxiety…

  11. Emotional and Behavioral Disorders in 1.5th Generation, 2nd Generation Immigrant Children, and Foreign Adoptees.

    PubMed

    Tan, Tony Xing

    2016-10-01

    Existing theories (e.g., acculturative stress theory) cannot adequately explain why mental disorders in immigrants are less prevalent than in non-immigrants. In this paper, the culture-gene co-evolutionary theory of mental disorders was utilized to generate a novel hypothesis that connection to heritage culture reduces the risk for mental disorders in immigrant children. Four groups of children aged 2-17 years were identified from the 2007 United States National Survey of Children's Health: 1.5th generation immigrant children (n = 1378), 2nd generation immigrant children (n = 4194), foreign adoptees (n = 270), and non-immigrant children (n = 54,877). The 1.5th generation immigrant children's connection to their heritage culture is stronger than or similar to the 2nd generation immigrants, while the foreign adoptees have little connection to their birth culture. Controlling for age, sex, family type and SES, the odds for having ADD/ADHD, Conduct Disorder, Anxiety Disorder, and Depression diagnosis were the lowest for the 1.5th generation immigrant children, followed by the 2nd generation immigrant children and the foreign adoptees. The foreign adoptees and non-adopted children were similar in the odds of having these disorders. Connection to heritage culture might be the underlying mechanism that explained recent immigrants' lower rates of mental disorders.

  12. White Paper Summary of 2nd ASTM International Workshop on Hydrides in Zirconium Alloy Cladding

    SciTech Connect

    Sindelar, R.; Louthan, M.; PNNL, B.

    2015-05-29

    This white paper recommends that ASTM International develop standards to address the potential impact of hydrides on the long term performance of irradiated zirconium alloys. The need for such standards was apparent during the 2nd ASTM International Workshop on Hydrides in Zirconium Alloy Cladding and Assembly Components, sponsored by ASTM International Committee C26.13 and held on June 10-12, 2014, in Jackson, Wyoming. The potentially adverse impacts of hydrogen and hydrides on the long term performance of irradiated zirconium-alloy cladding on used fuel were shown to depend on multiple factors such as alloy chemistry and processing, irradiation and post irradiation history, residual and applied stresses and stress states, and the service environment. These factors determine the hydrogen content and hydride morphology in the alloy, which, in turn, influence the response of the alloy to the thermo-mechanical conditions imposed (and anticipated) during storage, transport and disposal of used nuclear fuel. Workshop presentations and discussions showed that although hydrogen/hydride induced degradation of zirconium alloys may be of concern, the potential for occurrence and the extent of anticipated degradation vary throughout the nuclear industry because of the variations in hydrogen content, hydride morphology, alloy chemistry and irradiation conditions. The tools and techniques used to characterize hydrides and hydride morphologies and their impacts on material performance also vary. Such variations make site-to-site comparisons of test results and observations difficult. There is no consensus that a single material or system characteristic (e.g., reactor type, burnup, hydrogen content, end-of life stress, alloy type, drying temperature, etc.) is an effective predictor of material response during long term storage or of performance after long term storage. Multi-variable correlations made for one alloy may not represent the behavior of another alloy exposed to

  13. PREFACE: 1st-2nd Young Researchers Meetings in Rome - Proceedings

    NASA Astrophysics Data System (ADS)

    YRMR Organizing Committee; Cannuccia, E.; Mazzaferro, L.; Migliaccio, M.; Pietrobon, D.; Stellato, F.; Veneziani, M.

    2011-03-01

    Students in science, particularly in physics, face a fascinating and challenging future. Scientists have proposed very interesting theories, which describe the microscopic and macroscopic world fairly well, trying to match the quantum regime with cosmological scales. Between the extremes of this scenario, biological phenomena in all their complexity take place, challenging the laws we observe in the atomic and sub-atomic world. More and more accurate and complex experiments have been devised and these are now going to test the paradigms of physics. Notable experiments include: the Large Hadronic Collider (LHC), which is going to shed light on the physics of the Standard Model of Particles and its extensions; the Planck-Herschel satellites, which target a very precise measurement of the properties of our Universe; and the Free Electron Lasers facilities, which produce high-brilliance, ultrafast X-ray pulses, allowing the investigation of the fundamental processes of solid state physics, chemistry, and biology. These projects are the result of huge collaborations spread across the world, involving scientists belonging to different and complementary research fields: physicists, chemists, biologists and others, keen to make the best of these extraordinary laboratories. Even though each branch of science is experiencing a process of growing specialization, it is very important to keep an eye on the global picture, remaining aware of the deep interconnections between inherent fields. This is even more crucial for students who are beginning their research careers. These considerations motivated PhD students and young post-docs connected to the Roman scientific research area to organize a conference, to establish the background and the network for interactions and collaborations. This resulted in the 1st and 2nd Young Researchers Meetings in Rome (http://ryrm.roma2.infn.it), one day conferences aimed primarily at graduate students and post-docs, working in physics in Italy

  14. Covariant generalization of cosmological perturbation theory

    SciTech Connect

    Enqvist, Kari; Hoegdahl, Janne; Nurmi, Sami; Vernizzi, Filippo

    2007-01-15

    We present an approach to cosmological perturbations based on a covariant perturbative expansion between two worldlines in the real inhomogeneous universe. As an application, at an arbitrary order we define an exact scalar quantity which describes the inhomogeneities in the number of e-folds on uniform density hypersurfaces and which is conserved on all scales for a barotropic ideal fluid. We derive a compact form for its conservation equation at all orders and assign it a simple physical interpretation. To make a comparison with the standard perturbation theory, we develop a method to construct gauge-invariant quantities in a coordinate system at arbitrary order, which we apply to derive the form of the nth order perturbation in the number of e-folds on uniform density hypersurfaces and its exact evolution equation. On large scales, this provides the gauge-invariant expression for the curvature perturbation on uniform density hypersurfaces and its evolution equation at any order.

  15. Complete leading order analysis in Chiral Perturbation Theory of the decays K{sub L}{r_arrow}{gamma}{gamma} and K{sub L}{r_arrow}l{sub +}l{sub {minus}}{gamma}

    SciTech Connect

    J. L. Goity; Longzhe Zhang

    1997-02-01

    The decays K{sub L}{r_arrow}{gamma}{gamma} and K{sub L}{r_arrow}l{sup +}l{sup {minus}}{gamma} are studied at the leading order p{sup 6} in Chiral Perturbation Theory. One-loop contributions stemming from the odd intrinsic parity {vert_bar}{Delta}S{vert_bar}=1 effective Lagrangian of order p{sup 4} are included and shown to be of possible relevance. They affect the decay K{sub L}{r_arrow}{gamma}{gamma} adding to the usual pole terms a piece free of counterterm uncertainties. In the case of the K{sub L}{r_arrow}l{sup +}l{sup {minus}}{gamma} decays the dependence of the form factor on the dilepton invariant mass requires a counterterm. The form factor may receive a sizeable contribution from chiral logarithms. Including considerations from the K{sub L}{r_arrow}{pi}{sup +}{pi}{sup {minus}}{gamma} direct emission amplitude, the authors obtain two consistent scenarios. In one scenario the long distance contributions from the one-loop terms are important, while in the other they are marginal. In both cases the counterterm is shown to be significant.

  16. Automatic fitting procedures for EPR spectra of disordered systems: matrix diagonalization and perturbation methods applied to fluorocarbon radicals.

    PubMed

    Lund, A; Andersson, P; Eriksson, J; Hallin, J; Johansson, T; Jonsson, R; Löfgren, H; Paulin, C; Tell, A

    2008-05-01

    Two types of automatic fitting procedures for EPR spectra of disordered systems have been developed, one based on matrix diagonalization of a general spin Hamiltonian, the other on 2nd order perturbation theory. The first program is based on a previous Fortran code complemented with a newly written interface in Java to provide user-friendly in and output. The second is intended for the special case of free radicals with several relatively weakly interacting nuclei, in which case the general method becomes slow. A least squares' fitting procedure utilizing analytical or numerical derivatives of the theoretically calculated spectrum with respect to the g- and hyperfine structure (hfs) tensors was used to refine those parameters in both cases. 'Rigid limit' ESR spectra from radicals in organic matrices and in polymers, previously studied experimentally at low temperature, were analyzed by both methods. Fluorocarbon anion radicals could be simulated, quite accurately with the exact method, whereas automatic fitting on, e.g. the c-C(4)F(8)(-) anion radical is only feasible with the 2nd order approximative treatment. Initial values for the (19)F hfs tensors estimated by DFT calculations were quite close to the final. For neutral radicals of the type XCF(2)CF(2)* the refinement of the hfs tensors by the exact method worked better than the approximate. The reasons are discussed. The ability of the fitting procedures to recover the correct magnetic parameters of disordered systems was investigated by fittings to synthetic spectra with known hfs tensors. The exact and the approximate methods are concluded to be complementary, one being general, but limited to relatively small systems, the other being a special treatment, suited for S=1/2 systems with several moderately large hfs.

  17. Proceedings of the Biennial EO/EEO Research Symposium (2nd) Held in Cocoa Beach, Florida on December 2-4, 1997

    DTIC Science & Technology

    1998-04-01

    PROCEEDINGS 2ND BIENNIAL EO/EEO RESEARCH SYMPOSIUM December 2-4, 1997 Cocoa Beach, Florida Sponsored by the Directorate of Research Defense Equal...2-89) Prescribed by ANSI Std. Z39-18 298-102 USAPPC V1.00 PROCEEDINGS 2nd BIENNIAL EO/EEO RESEARCH SYMPOSIUM December 2-4, 1997 COCOA BEACH, FLORIDA...Proceedings Editor Published April 1998 Preface PROCEEDINGS 2nd BIENNIAL EO/EEO RESEARCH SYMPOSIUM December 2-4, 1997 COCOA BEACH, FLORIDA The EO/EEO

  18. 2nd Radio and Antenna Days of the Indian Ocean (RADIO 2014)

    NASA Astrophysics Data System (ADS)

    2014-10-01

    It was an honor and a great pleasure for all those involved in its organization to welcome the participants to the ''Radio and Antenna Days of the Indian Ocean'' (RADIO 2014) international conference that was held from 7th to 10th April 2014 at the Sugar Beach Resort, Wolmar, Flic-en-Flac, Mauritius. RADIO 2014 is the second of a series of conferences organized in the Indian Ocean region. The aim of the conference is to discuss recent developments, theories and practical applications covering the whole scope of radio-frequency engineering, including radio waves, antennas, propagation, and electromagnetic compatibility. The RADIO international conference emerged following discussions with engineers and scientists from the countries of the Indian Ocean as well as from other parts of the world and a need was felt for the organization of such an event in this region. Following numerous requests, the Island of Mauritius, worldwide known for its white sandy beaches and pleasant tropical atmosphere, was again chosen for the organization of the 2nd RADIO international conference. The conference was organized by the Radio Society, Mauritius and the Local Organizing Committee consisted of scientists from SUPELEC, France, the University of Mauritius, and the University of Technology, Mauritius. We would like to take the opportunity to thank all people, institutions and companies that made the event such a success. We are grateful to our gold sponsors CST and FEKO as well as URSI for their generous support which enabled us to partially support one PhD student and two scientists to attend the conference. We would also like to thank IEEE-APS and URSI for providing technical co-sponsorship. More than hundred and thirty abstracts were submitted to the conference. They were peer-reviewed by an international scientific committee and, based on the reviews, either accepted, eventually after revision, or rejected. RADIO 2014 brought together participants from twenty countries spanning

  19. 2nd International Conference on Rheology and Modeling of Materials (IC-RMM2)

    NASA Astrophysics Data System (ADS)

    2017-01-01

    Understanding the rheological properties of materials and their rheological behaviors during their manufacturing processes and in their applications in many cases can help to increase the efficiency and competitiveness not only of the finished goods and products but the organizations and societies also. The more scientific supported and prepared organizations develop more competitive products with better thermal, mechanical, physical, chemical and biological properties and the leading companies apply more competitive equipment and technology processes. The aims of the 2nd International Conference on Rheology and Modeling of Materials (ic-rmm2) and the parallel organized symposiums of the 1st International Symposium on Powder Injection Molding (is-pim1) and the 1st International Symposium on Rheology and Fracture of Solids (is-rfs1) are the followings: Promote new methods and results of scientific research in the fields of modeling and measurements of rheological properties and behavior of materials under processing and applications; Change information between the theoretical and applied sciences as well as technical and technological implantations. Promote the communication and collaboration between the scientists, researchers and engineers of different disciplines, different nations, countries and continents. The international conference ic-rmm2 and symposiums of is-pim1 and is-rfs1 provide a platform among the leading international scientists, researchers, PhD students and engineers for discussing recent achievements in measurement, modeling and application of rheology in materials technology and materials science of liquids, melts, solids, crystals and amorphous structures. Among thr major fields of interest are the influence of materials structures, mechanical stresses, temperatures, deformation speeds and shear rates on rheological and physical properties, phase transformation of foams, foods, polymers, plastics and other competitive materials like ceramics

  20. Development of Hydrologic Characterization Technology of Fault Zones -- Phase I, 2nd Report

    SciTech Connect

    Karasaki, Kenzi; Onishi, Tiemi; Black, Bill; Biraud, Sebastien

    2009-03-31

    This is the year-end report of the 2nd year of the NUMO-LBNL collaborative project: Development of Hydrologic Characterization Technology of Fault Zones under NUMO-DOE/LBNL collaboration agreement, the task description of which can be found in the Appendix 3. Literature survey of published information on the relationship between geologic and hydrologic characteristics of faults was conducted. The survey concluded that it may be possible to classify faults by indicators based on various geometric and geologic attributes that may indirectly relate to the hydrologic property of faults. Analysis of existing information on the Wildcat Fault and its surrounding geology was performed. The Wildcat Fault is thought to be a strike-slip fault with a thrust component that runs along the eastern boundary of the Lawrence Berkeley National Laboratory. It is believed to be part of the Hayward Fault system but is considered inactive. Three trenches were excavated at carefully selected locations mainly based on the information from the past investigative work inside the LBNL property. At least one fault was encountered in all three trenches. Detailed trench mapping was conducted by CRIEPI (Central Research Institute for Electric Power Industries) and LBNL scientists. Some intriguing and puzzling discoveries were made that may contradict with the published work in the past. Predictions are made regarding the hydrologic property of the Wildcat Fault based on the analysis of fault structure. Preliminary conceptual models of the Wildcat Fault were proposed. The Wildcat Fault appears to have multiple splays and some low angled faults may be part of the flower structure. In parallel, surface geophysical investigations were conducted using electrical resistivity survey and seismic reflection profiling along three lines on the north and south of the LBNL site. Because of the steep terrain, it was difficult to find optimum locations for survey lines as it is desirable for them to be as

  1. Recent Developments in Perturbative QCD

    SciTech Connect

    Dixon, Lance J.; /SLAC

    2005-07-11

    I review recent progress in perturbative QCD on two fronts: extending next-to-next-to-leading order QCD corrections to a broader range of collider processes, and applying twistor-space methods (and related spinoffs) to computations of multi-parton scattering amplitudes.

  2. Electrical Properties and Superconductivity of MSr2Nd2-xCexCu2O10-δ (M=Ta, Nb)

    NASA Astrophysics Data System (ADS)

    Zhu, Yingjie; Qian, Yitai; Li, Rukang; Wang, Shiwei; Chen, Zuyao; Chen, Zhaojia; Wang, Nanling; Zhou, Guien

    1992-09-01

    A new series of layered cuprate compounds MSr2Nd2-xCexCu2O10-δ (M=Ta, Nb) have been synthesized. The structure of the compounds is similar to that of T1-1222. A peak in the R-T curve for the sample of TaSr2Nd1.3Ce0.7Cu2O10-δ has been observed at about 50 K. For the sample of NbSr2Nd1.45Ce0.55Cu2O10-δ, metal-like conductivity behaviour has been observed. We have found superconductivity at about 13.2 K in the samples of NbSr2Nd2-xCexCu2O10-δ (x=0.49, 0.50, 0.51, 0.52).

  3. Complete active space second order perturbation theory (CASPT2) study of N({sup 2}D) + H{sub 2}O reaction paths on D{sub 1} and D{sub 0} potential energy surfaces: Direct and roaming pathways

    SciTech Connect

    Isegawa, Miho; Liu, Fengyi; Maeda, Satoshi; Morokuma, Keiji

    2014-10-21

    We report reaction paths starting from N({sup 2}D) + H{sub 2}O for doublet spin states, D{sub 0} and D{sub 1}. The potential energy surfaces are explored in an automated fashion using the global reaction route mapping strategy. The critical points and reaction paths have been fully optimized at the complete active space second order perturbation theory level taking all valence electrons in the active space. In addition to direct dissociation pathways that would be dominant, three roaming processes, two roaming dissociation, and one roaming isomerization: (1) H{sub 2}ON → H–O(H)N → H–HON → NO({sup 2}Π) + H{sub 2}, (2) cis-HNOH → HNO–H → H–HNO → NO + H{sub 2}, (3) H{sub 2}NO → H–HNO → HNO–H → trans-HNOH, are confirmed on the D{sub 0} surface.

  4. Finite-temperature second-order many-body perturbation and Hartree-Fock theories for one-dimensional solids: an application to Peierls and charge-density-wave transitions in conjugated polymers.

    PubMed

    He, Xiao; Ryu, Shinsei; Hirata, So

    2014-01-14

    Finite-temperature extensions of ab initio Gaussian-basis-set spin-restricted Hartree-Fock (HF) and second-order many-body perturbation (MP2) theories are implemented for infinitely extended, periodic, one-dimensional solids and applied to the Peierls and charge-density-wave (CDW) transitions in polyyne and all-trans polyacetylene. The HF theory predicts insulating CDW ground states for both systems in their equidistant structures at low temperatures. In the same structures, they turn metallic at high temperatures. Starting from the "dimerized" low-temperature equilibrium structures, the systems need even higher temperatures to undergo a Peierls transition, which is accompanied by geometric as well as electronic distortions from dimerized to non-dimerized forms. The conventional finite-temperature MP2 theory shows a sign of divergence in any phase at any nonzero temperature and is useless. The renormalized finite-temperature MP2 (MP2R) theory is divergent only near metallic electronic structures, but is well behaved elsewhere. MP2R also predicts CDW and Peierls transitions occurring at two different temperatures. The effect of electron correlation is primarily to lower the Peierls transition temperature.

  5. Finite-temperature second-order many-body perturbation and Hartree–Fock theories for one-dimensional solids: An application to Peierls and charge-density-wave transitions in conjugated polymers

    SciTech Connect

    He, Xiao; Ryu, Shinsei; Hirata, So

    2014-01-14

    Finite-temperature extensions of ab initio Gaussian-basis-set spin-restricted Hartree–Fock (HF) and second-order many-body perturbation (MP2) theories are implemented for infinitely extended, periodic, one-dimensional solids and applied to the Peierls and charge-density-wave (CDW) transitions in polyyne and all-trans polyacetylene. The HF theory predicts insulating CDW ground states for both systems in their equidistant structures at low temperatures. In the same structures, they turn metallic at high temperatures. Starting from the “dimerized” low-temperature equilibrium structures, the systems need even higher temperatures to undergo a Peierls transition, which is accompanied by geometric as well as electronic distortions from dimerized to non-dimerized forms. The conventional finite-temperature MP2 theory shows a sign of divergence in any phase at any nonzero temperature and is useless. The renormalized finite-temperature MP2 (MP2R) theory is divergent only near metallic electronic structures, but is well behaved elsewhere. MP2R also predicts CDW and Peierls transitions occurring at two different temperatures. The effect of electron correlation is primarily to lower the Peierls transition temperature.

  6. The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

    NASA Astrophysics Data System (ADS)

    Bykov, Dmytro; Kristensen, Kasper; Kjærgaard, Thomas

    2016-07-01

    We report an implementation of the molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory (DEC-RI-MP2). The new DEC-RI-MP2 gradient method combines the precision control as well as the linear-scaling and massively parallel features of the DEC scheme with efficient evaluations of the gradient contributions using the RI approximation. We further demonstrate that the DEC-RI-MP2 gradient method is capable of calculating molecular gradients for very large molecular systems. A test set of supramolecular complexes containing up to 158 atoms and 1960 contracted basis functions has been employed to demonstrate the general applicability of the DEC-RI-MP2 method and to analyze the errors of the DEC approximation. Moreover, the test set contains molecules of complicated electronic structures and is thus deliberately chosen to stress test the DEC-RI-MP2 gradient implementation. Additionally, as a showcase example the full molecular gradient for insulin (787 atoms and 7604 contracted basis functions) has been evaluated.

  7. [In search of the ideal surgical treatment for lymphedema. Report of 2nd European Conference on supermicrosurgery (Barcelona - March 2012)].

    PubMed

    Rausky, J; Robert, N; Binder, J-P; Revol, M

    2012-12-01

    Since more than 50 years, many surgeons all around the world try to find the perfect surgical technique to treat limb lymphedemas. Decongestive physiotherapy associated with the use of a compressive garment has been the primary choice for lymphedema treatment. Many different surgical techniques have been developed, however, to date, there is no consensus on surgical procedure. Most surgical experts of lymphedema met in the second European Conference on supermicrosurgery, organized on March 1st and 2nd 2012, in San Pau Hospital, Barcelona. Together they tried to clarify these different options and ideally a strategy for using these techniques.

  8. 2nd International Salzburg Conference on Neurorecovery (ISCN 2013) Salzburg/ Austria | November 28th - 29th, 2013

    PubMed Central

    Brainin, M; Muresanu, D; Slavoaca, D

    2014-01-01

    The 2nd International Salzburg Conference on Neurorecovery was held on the 28th and 29th of November, 2013, in Salzburg, one of the most beautiful cities in Austria, which is well known for its rich cultural heritage, world-famous music and beautiful surrounding landscapes. The aim of the conference was to discuss the progress in the field of neurorecovery. The conference brought together internationally renowned scientists and clinicians, who described the clinical and therapeutic relevance of translational research and its applications in neurorehabilitation. PMID:25713602

  9. Comparison of the large scale structure of the ISM in the 2nd and 3rd Galactic Quadrants

    NASA Astrophysics Data System (ADS)

    Könyves, V.; Kiss, Cs.

    2002-05-01

    In this paper we are questing the large scale structure of the interstellar medium (ISM) using IRAS/ISSA 60 and 100 mum maps in the 3rd Galactic Quadrant (GQ). Here we identified 41 loop-like intensity enhancements and analysed their far-infrared (FIR) properties. We found major differences in the distribution and characteristics of these features when comparing the results of the 2nd and the 3rd GQs. This discrepancy can be satisfactorily explained by basic differences of the structure of the ISM in these two Galactic Quadrants.

  10. THE 2nd SCHIZOPHRENIA INTERNATIONAL RESEARCH SOCIETY CONFERENCE, 10–14 APRIL 2010, FLORENCE, ITALY: SUMMARIES OF ORAL SESSIONS

    PubMed Central

    Baharnoori, Moogeh; Bartholomeusz, Cali; Boucher, Aurelie A.; Buchy, Lisa; Chaddock, Christopher; Chiliza, Bonga; Föcking, Melanie; Fornito, Alex; Gallego, Juan A.; Hori, Hiroaki; Huf, Gisele; Jabbar, Gul A.; Kang, Shi Hyun; El Kissi, Yousri; Merchán-Naranjo, Jessica; Modinos, Gemma; Abdel-Fadeel, Nashaat A.M.; Neubeck, Anna-Karin; Ng, Hsiao Piau; Novak, Gabriela; Owolabi, Olasunmbo.O.; Prata, Diana P.; Rao, Naren P.; Riecansky, Igor; Smith, Darryl C.; Souza, Renan P.; Thienel, Renate; Trotman, Hanan D.; Uchida, Hiroyuki; Woodberry, Kristen A.; O'Shea, Anne; DeLisi, Lynn E.

    2014-01-01

    The 2nd Schizophrenia International Research Society Conference, was held in Florence, Italy, April 10–15, 2010. Student travel awardees served as rapporteurs of each oral session and focused their summaries on the most significant findings that emerged from each session and the discussions that followed. The following report is a composite of these reviews. It is hoped that it will provide an overview for those who were present, but could not participate in all sessions, and those who did not have the opportunity to attend, but who would be interested in an update on current investigations ongoing in the field of schizophrenia research. PMID:20934307

  11. 2nd International Salzburg Conference on Neurorecovery (ISCN 2013) Salzburg/Austria|November 28th-29th, 2013.

    PubMed

    Brainin, M; Muresanu, D; Slavoaca, D

    2014-01-01

    The 2nd International Salzburg Conference on Neurorecovery was held on the 28th and 29th of November, 2013, in Salzburg, one of the most beautiful cities in Austria, which is well known for its rich cultural heritage, world-famous music and beautiful surrounding landscapes. The aim of the conference was to discuss the progress in the field of neurorecovery. The conference brought together internationally renowned scientists and clinicians, who described the clinical and therapeutic relevance of translational research and its applications in neurorehabilitation.

  12. The recursion relation in Lagrangian perturbation theory

    SciTech Connect

    Rampf, Cornelius

    2012-12-01

    We derive a recursion relation in the framework of Lagrangian perturbation theory, appropriate for studying the inhomogeneities of the large scale structure of the universe. We use the fact that the perturbative expansion of the matter density contrast is in one-to-one correspondence with standard perturbation theory (SPT) at any order. This correspondence has been recently shown to be valid up to fourth order for a non-relativistic, irrotational and dust-like component. Assuming it to be valid at arbitrary (higher) order, we express the Lagrangian displacement field in terms of the perturbative kernels of SPT, which are itself given by their own and well-known recursion relation. We argue that the Lagrangian solution always contains more non-linear information in comparison with the SPT solution, (mainly) if the non-perturbative density contrast is restored after the displacement field is obtained.

  13. FOREWORD: 2nd International Workshop on New Computational Methods for Inverse Problems (NCMIP 2012)

    NASA Astrophysics Data System (ADS)

    Blanc-Féraud, Laure; Joubert, Pierre-Yves

    2012-09-01

    Conference logo This volume of Journal of Physics: Conference Series is dedicated to the scientific contributions presented during the 2nd International Workshop on New Computational Methods for Inverse Problems, (NCMIP 2012). This workshop took place at Ecole Normale Supérieure de Cachan, in Cachan, France, on 15 May 2012, at the initiative of Institut Farman. The first edition of NCMIP also took place in Cachan, France, within the scope of the ValueTools Conference, in May 2011 (http://www.ncmip.org/2011/). The NCMIP Workshop focused on recent advances in the resolution of inverse problems. Indeed inverse problems appear in numerous scientific areas such as geophysics, biological and medical imaging, material and structure characterization, electrical, mechanical and civil engineering, and finance. The resolution of inverse problems consists of estimating the parameters of the observed system or structure from data collected by an instrumental sensing or imaging device. Its success firstly requires the collection of relevant observation data. It also requires accurate models describing the physical interactions between the instrumental device and the observed system, as well as the intrinsic properties of the solution itself. Finally, it requires the design of robust, accurate and efficient inversion algorithms. Advanced sensor arrays and imaging devices provide high rate and high volume data; in this context, the efficient resolution of the inverse problem requires the joint development of new models and inversion methods, taking computational and implementation aspects into account. During this one-day workshop, researchers had the opportunity to bring to light and share new techniques and results in the field of inverse problems. The topics of the workshop were: algorithms and computational aspects of inversion, Bayesian estimation, kernel methods, learning methods, convex optimization, free discontinuity problems, metamodels, proper orthogonal decomposition

  14. Detection of Counter-Changing Contrast: Second-Order Apparent Motion Without Postrectification Motion-Energy Analysis or Salience Mapping/Feature Tracking

    ERIC Educational Resources Information Center

    Gilroy, Lee A.; Hock, Howard S.

    2004-01-01

    The perception of 2nd-order, texture-contrast-defined motion was studied for apparent-motion stimuli composed of a pair of spatially displaced, simultaneously visible checkerboards. It was found that background-relative, counter-changing contrast provided the informational basis for the perception of 2nd-order apparent motion; motion began where…

  15. Moral judgment and its relation to second-order theory of mind.

    PubMed

    Fu, Genyue; Xiao, Wen S; Killen, Melanie; Lee, Kang

    2014-08-01

    Recent research indicates that moral judgment and 1st-order theory of mind abilities are related. What is not known, however, is how 2nd-order theory of mind is related to moral judgment. In the present study, we extended previous findings by administering a morally relevant theory of mind task (an accidental transgressor) to 4- to 7-year-old Chinese children (N = 79) and analyzing connections with 2nd-order theory of mind understanding. Using hierarchical multiple regression analyses, we found that above and beyond age, children's 1st-order theory of mind and 2nd-order theory of mind each significantly and uniquely contributed to children's moral evaluations of the intention in the accidental transgression. These findings highlight the important roles that 1st- and 2nd-order theory of mind play in leading children to make appropriate moral judgments based on an actor's intention in a social situation.

  16. Parameter Perturbations with the GFDL Model: Smoothness and Uncertainty

    NASA Astrophysics Data System (ADS)

    Zamboni, L.; Jacob, R. L.; Neelin, J.; Kotamarthi, V. R.; Held, I.; Zhao, M.; Williams, T. J.; McWilliams, J. C.; Moore, T. L.; Wilde, M.; Nangia, N.

    2013-12-01

    We found that smoothness characterizes the response of global precipitation to perturbations of 6 parameters related to cloud physics and circulation in 50-year AMIP simulations performed with the GFDL model at 1x1 degree resolution. Specifically, the AGCM depends quadratically to parameters (Fig.1a). Linearization of the derivative of a cost function (the globally averaged squared difference between model and observations; here illustrated for the entrainment rate) up to at least the 2nd order around the standard case (eo=10) proofs necessary for optimization purposes to correctly predict where the optimum value lies (Fig.1b), and reflects the relevance of the non linearity of the response. The linearization also provides indications about desirable changes in the parameters' values for regional optimization, which may be locally different from that of the global average. Uncertainty of precipitation varies from -9 to 6% of the model's standard version and is highest for the ice-fall-speed in stratiform clouds and the entrainment in convective clouds, which are the parameters with the widest range of possible values (Fig.2). The smooth behavior and a quantified measure of the sensitivity we report here are the backbones for the design of computationally effective multi-parameter perturbations and model optimization, which ultimately improve the reliability of AGCMs simulations Smoothness and optimum parameter value for the entrainment rate. a) Root mean squared error and fits based on values eo=[8,16] and extrapolated over eo=[4,6]; b) derivative of the cost function computed at different levels of precision in the linearization (blue, green and black lines) and numerically using 1) the quadratic fit n the expression of the cost function (red line) and 2) only AGCM output (pink line). Note that the linearization determines the correct value of the minimum without using any information about model's output in that point: the quadratic fit is based on data

  17. Density perturbation theory

    SciTech Connect

    Palenik, Mark C.; Dunlap, Brett I.

    2015-07-28

    Despite the fundamental importance of electron density in density functional theory, perturbations are still usually dealt with using Hartree-Fock-like orbital equations known as coupled-perturbed Kohn-Sham (CPKS). As an alternative, we develop a perturbation theory that solves for the perturbed density directly, removing the need for CPKS. This replaces CPKS with a true Hohenberg-Kohn density perturbation theory. In CPKS, the perturbed density is found in the basis of products of occupied and virtual orbitals, which becomes ever more over-complete as the size of the orbital basis set increases. In our method, the perturbation to the density is expanded in terms of a series of density basis functions and found directly. It is possible to solve for the density in such a way that it makes the total energy stationary even if the density basis is incomplete.

  18. [Medical support of the 65th Army during the East Prussian offensive operation performed by the 2nd Belorussian Front].

    PubMed

    Shelepov, A M; Leonik, S I; Lemeshkin, R N

    2015-02-01

    Prussian offensive operation performed by the 2nd Belorussian Front. An activity of the medical An activity of the medical service of the 65th Army during the East Prussian offensive operation performed by the 2nd Belorussian Front is a typical example of the medical support of troops during the final stages of World War II. Forms and methods of medical support management, which were developed during the war, haven't lost their importance in modern conditions. These methods include the establishment of specialized surgical and therapeutic field hospital, establishment of medical institutions in the Army, which worked on the evacuation directions and reserve of mobile hospitals and transport, timely extension of the first echelons of the hospital base front to change institutions hospital deployed the army base. A research of experience in organizing medical support of the offensive operations performed during the last year of World War II provides the material for the development of the theory of modern medical support operations and ability to provide on this basis, the continuity of the hospitals, the continuity of qualified and specialized medical care, improve the performance of diagnostic and treatment work.

  19. Influence of Nd dopant amount on microstructure and photoluminescence of TiO2:Nd thin films

    NASA Astrophysics Data System (ADS)

    Wojcieszak, Damian; Mazur, Michal; Kaczmarek, Danuta; Morgiel, Jerzy; Zatryb, Grzegorz; Domaradzki, Jaroslaw; Misiewicz, Jan

    2015-10-01

    TiO2 and TiO2:Nd thin films were deposited using reactive magnetron sputtering process from mosaic Ti-Nd targets with various Nd concentration. The thin films were characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM) and spectroscopic techniques. Photoluminescence (PL) in the near infrared obtained upon 514.5 nm excitation was also examined. The relationship between the Nd concentration, structural, optical and photoluminescence properties of prepared thin films was investigated and discussed. XRD and TEM measurements showed that an increase in the Nd concentration in the thin films hinders the crystal growth in the deposited coatings. Depending on the Nd amount in the thin films, TiO2 with the rutile, mixed rutile-amorphous or amorphous phase was obtained. Transmittance measurements revealed that addition of Nd dopant to titania matrix did not deteriorate optical transparency of the coatings, however it influenced on the position of the fundamental absorption edge and therefore on the width of optical band gap energy. All TiO2:Nd thin films exhibited PL emission that occurred at ca. 0.91, 1.09 and 1.38 μm. Finally, results obtained for deposited coatings showed that titania with the rutile structure and 1.0 at.% of Nd was the most efficient in VIS to NIR photon conversion.

  20. Efficacy and Safety of rAAV2-ND4 Treatment for Leber’s Hereditary Optic Neuropathy

    PubMed Central

    Wan, Xing; Pei, Han; Zhao, Min-jian; Yang, Shuo; Hu, Wei-kun; He, Heng; Ma, Si-qi; Zhang, Ge; Dong, Xiao-yan; Chen, Chen; Wang, Dao-wen; Li, Bin

    2016-01-01

    Leber’s hereditary optic neuropathy (LHON) is a mitochondrially inherited disease leading to blindness. A mitochondrial DNA point mutation at the 11778 nucleotide site of the NADH dehydrogenase subunit 4 (ND4) gene is the most common cause. The aim of this study was to evaluate the efficacy and safety of a recombinant adeno-associated virus 2 (AAV2) carrying ND4 (rAAV2-ND4) in LHON patients carrying the G11778A mutation. Nine patients were administered rAAV2-ND4 by intravitreal injection to one eye and then followed for 9 months. Ophthalmologic examinations of visual acuity, visual field, and optical coherence tomography were performed. Physical examinations included routine blood and urine. The visual acuity of the injected eyes of six patients improved by at least 0.3 log MAR after 9 months of follow-up. In these six patients, the visual field was enlarged but the retinal nerve fibre layer remained relatively stable. No other outcome measure was significantly changed. None of the nine patients had local or systemic adverse events related to the vector during the 9-month follow-up period. These findings support the feasible use of gene therapy for LHON. PMID:26892229

  1. Perturbation theory in light-cone quantization

    SciTech Connect

    Langnau, A.

    1992-01-01

    A thorough investigation of light-cone properties which are characteristic for higher dimensions is very important. The easiest way of addressing these issues is by analyzing the perturbative structure of light-cone field theories first. Perturbative studies cannot be substituted for an analysis of problems related to a nonperturbative approach. However, in order to lay down groundwork for upcoming nonperturbative studies, it is indispensable to validate the renormalization methods at the perturbative level, i.e., to gain control over the perturbative treatment first. A clear understanding of divergences in perturbation theory, as well as their numerical treatment, is a necessary first step towards formulating such a program. The first objective of this dissertation is to clarify this issue, at least in second and fourth-order in perturbation theory. The work in this dissertation can provide guidance for the choice of counterterms in Discrete Light-Cone Quantization or the Tamm-Dancoff approach. A second objective of this work is the study of light-cone perturbation theory as a competitive tool for conducting perturbative Feynman diagram calculations. Feynman perturbation theory has become the most practical tool for computing cross sections in high energy physics and other physical properties of field theory. Although this standard covariant method has been applied to a great range of problems, computations beyond one-loop corrections are very difficult. Because of the algebraic complexity of the Feynman calculations in higher-order perturbation theory, it is desirable to automatize Feynman diagram calculations so that algebraic manipulation programs can carry out almost the entire calculation. This thesis presents a step in this direction. The technique we are elaborating on here is known as light-cone perturbation theory.

  2. Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy electrons (0-3 eV)

    SciTech Connect

    Francés-Monerris, Antonio; Segarra-Martí, Javier; Merchán, Manuela; Roca-Sanjuán, Daniel

    2015-12-07

    Low-energy (0-3 eV) ballistic electrons originated during the irradiation of biological material can interact with DNA/RNA nucleobases yielding transient-anion species which undergo decompositions. Since the discovery that these reactions can eventually lead to strand breaking of the DNA chains, great efforts have been dedicated to their study. The main fragmentation at the 0-3 eV energy range is the ejection of a hydrogen atom from the specific nitrogen positions. In the present study, the methodological approach introduced in a previous work on uracil [I. González-Ramírez et al., J. Chem. Theory Comput. 8, 2769-2776 (2012)] is employed to study the DNA canonical nucleobases fragmentations of N–H bonds induced by low-energy electrons. The approach is based on minimum energy path and linear interpolation of internal coordinates computations along the N–H dissociation channels carried out at the complete-active-space self-consistent field//complete-active-space second-order perturbation theory level. On the basis of the calculated theoretical quantities, new assignations for the adenine and cytosine anion yield curves are provided. In addition, the π{sub 1}{sup −} and π{sub 2}{sup −} states of the pyrimidine nucleobases are expected to produce the temporary anions at electron energies close to 1 and 2 eV, respectively. Finally, the present theoretical results do not allow to discard neither the dipole-bound nor the valence-bound mechanisms in the range of energies explored, suggesting that both possibilities may coexist in the experiments carried out with the isolated nucleobases.

  3. Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy electrons (0-3 eV)

    NASA Astrophysics Data System (ADS)

    Francés-Monerris, Antonio; Segarra-Martí, Javier; Merchán, Manuela; Roca-Sanjuán, Daniel

    2015-12-01

    Low-energy (0-3 eV) ballistic electrons originated during the irradiation of biological material can interact with DNA/RNA nucleobases yielding transient-anion species which undergo decompositions. Since the discovery that these reactions can eventually lead to strand breaking of the DNA chains, great efforts have been dedicated to their study. The main fragmentation at the 0-3 eV energy range is the ejection of a hydrogen atom from the specific nitrogen positions. In the present study, the methodological approach introduced in a previous work on uracil [I. González-Ramírez et al., J. Chem. Theory Comput. 8, 2769-2776 (2012)] is employed to study the DNA canonical nucleobases fragmentations of N-H bonds induced by low-energy electrons. The approach is based on minimum energy path and linear interpolation of internal coordinates computations along the N-H dissociation channels carried out at the complete-active-space self-consistent field//complete-active-space second-order perturbation theory level. On the basis of the calculated theoretical quantities, new assignations for the adenine and cytosine anion yield curves are provided. In addition, the π1- and π2- states of the pyrimidine nucleobases are expected to produce the temporary anions at electron energies close to 1 and 2 eV, respectively. Finally, the present theoretical results do not allow to discard neither the dipole-bound nor the valence-bound mechanisms in the range of energies explored, suggesting that both possibilities may coexist in the experiments carried out with the isolated nucleobases.

  4. Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy electrons (0-3 eV).

    PubMed

    Francés-Monerris, Antonio; Segarra-Martí, Javier; Merchán, Manuela; Roca-Sanjuán, Daniel

    2015-12-07

    Low-energy (0-3 eV) ballistic electrons originated during the irradiation of biological material can interact with DNA/RNA nucleobases yielding transient-anion species which undergo decompositions. Since the discovery that these reactions can eventually lead to strand breaking of the DNA chains, great efforts have been dedicated to their study. The main fragmentation at the 0-3 eV energy range is the ejection of a hydrogen atom from the specific nitrogen positions. In the present study, the methodological approach introduced in a previous work on uracil [I. González-Ramírez et al., J. Chem. Theory Comput. 8, 2769-2776 (2012)] is employed to study the DNA canonical nucleobases fragmentations of N-H bonds induced by low-energy electrons. The approach is based on minimum energy path and linear interpolation of internal coordinates computations along the N-H dissociation channels carried out at the complete-active-space self-consistent field//complete-active-space second-order perturbation theory level. On the basis of the calculated theoretical quantities, new assignations for the adenine and cytosine anion yield curves are provided. In addition, the π1 (-) and π2 (-) states of the pyrimidine nucleobases are expected to produce the temporary anions at electron energies close to 1 and 2 eV, respectively. Finally, the present theoretical results do not allow to discard neither the dipole-bound nor the valence-bound mechanisms in the range of energies explored, suggesting that both possibilities may coexist in the experiments carried out with the isolated nucleobases.

  5. Internet Power Searching: The Advanced Manual. 2nd Edition. Neal-Schuman NetGuide Series.

    ERIC Educational Resources Information Center

    Bradley, Phil

    This handbook provides information on how Internet search engines and related software and utilities work and how to use them in order to improve search techniques. The book begins with an introduction to the Internet. Part 1 contains the following chapters that cover mining the Internet for information: "An Introduction to Search…

  6. Automated Lattice Perturbation Theory

    SciTech Connect

    Monahan, Christopher

    2014-11-01

    I review recent developments in automated lattice perturbation theory. Starting with an overview of lattice perturbation theory, I focus on the three automation packages currently "on the market": HiPPy/HPsrc, Pastor and PhySyCAl. I highlight some recent applications of these methods, particularly in B physics. In the final section I briefly discuss the related, but distinct, approach of numerical stochastic perturbation theory.

  7. Use of 2nd and 3rd Level Correlation Analysis for Studying Degradation in Polycrystalline Thin-Film Solar Cells

    SciTech Connect

    Albin, D. S.; del Cueto, J. A.; Demtsu, S. H.; Bansal, S.

    2011-03-01

    The correlation of stress-induced changes in the performance of laboratory-made CdTe solar cells with various 2nd and 3rd level metrics is discussed. The overall behavior of aggregated data showing how cell efficiency changes as a function of open-circuit voltage (Voc), short-circuit current density (Jsc), and fill factor (FF) is explained using a two-diode, PSpice model in which degradation is simulated by systematically changing model parameters. FF shows the highest correlation with performance during stress, and is subsequently shown to be most affected by shunt resistance, recombination and in some cases voltage-dependent collection. Large decreases in Jsc as well as increasing rates of Voc degradation are related to voltage-dependent collection effects and catastrophic shunting respectively. Large decreases in Voc in the absence of catastrophic shunting are attributed to increased recombination. The relevance of capacitance-derived data correlated with both Voc and FF is discussed.

  8. 2nd ESMO Consensus Conference in Lung Cancer: locally advanced stage III non-small-cell lung cancer.

    PubMed

    Eberhardt, W E E; De Ruysscher, D; Weder, W; Le Péchoux, C; De Leyn, P; Hoffmann, H; Westeel, V; Stahel, R; Felip, E; Peters, S

    2015-08-01

    To complement the existing treatment guidelines for all tumour types, ESMO organises consensus conferences to focus on specific issues in each type of tumour. The 2nd ESMO Consensus Conference on Lung Cancer was held on 11-12 May 2013 in Lugano. A total of 35 experts met to address several questions on non-small-cell lung cancer (NSCLC) in each of four areas: pathology and molecular biomarkers, first-line/second and further lines of treatment in advanced disease, early-stage disease and locally advanced disease. For each question, recommendations were made including reference to the grade of recommendation and level of evidence. This consensus paper focuses on locally advanced disease.

  9. International collaborative study for establishment of the 2nd WHO International Standard for Haemophilus influenzae type b polysaccharide.

    PubMed

    Mawas, Fatme; Burkin, Karena; Dougall, Thomas; Saydam, Manolya; Rigsby, Peter; Bolgiano, Barbara

    2015-11-01

    In this report we present the results of a collaborative study for the preparation and calibration of a replacement International Standard (IS) for Haemophilus influenzae type b polysaccharide (polyribosyl ribitol phosphate; 5-d-ribitol-(1 → 1)-β-d-ribose-3-phosphate; PRP). Two candidate preparations were evaluated. Thirteen laboratories from 9 different countries participated in the collaborative study to assess the suitability and determine the PRP content of two candidate standards. On the basis of the results from this study, Candidate 2 (NIBSC code 12/306) has been established as the 2nd WHO IS for PRP by the Expert Committee of Biological Standards of the World Health Organisation with a content of 4.904 ± 0.185mg/ampoule, as determined by the ribose assays carried out by 11 of the participating laboratories.

  10. Characterization of γ and γ' phases in 2nd and 4th generation single crystal nickel-base superalloys

    NASA Astrophysics Data System (ADS)

    Zietara, Maciej; Neumeier, Steffen; Göken, Mathias; Czyrska-Filemonowicz, Aleksandra

    2017-01-01

    A Ni based single crystal superalloy from the 2nd generation, PWA 1484, and one from the 4th generation, PWA 1497, were comparatively studied by scanning electron microscopy, energy dispersive X-ray spectroscopy and nanoindentation technique in an atomic force microscope (NI-AFM) after high temperature creep deformation. During primary creep of both generations of superalloys, γ' precipitates start to coalesce and grow directionally. Further creep deformation leads to the topological inversion and coarsening of the rafted microstructure. The NI-AFM technique was used for measurements of the hardness of the γ and γ' phases in as-received and creep deformed samples in various conditions. The g matrix of the PWA 1497 superalloy is on average 0.8 GPa harder than that of PWA 1484 that can be explained by higher content of Re and Ru, since they partition predominantly to the matrix phase.

  11. Laparoscopic hepatectomy is theoretically better than open hepatectomy: preparing for the 2nd International Consensus Conference on Laparoscopic Liver Resection.

    PubMed

    Wakabayashi, Go; Cherqui, Daniel; Geller, David A; Han, Ho-Seong; Kaneko, Hironori; Buell, Joseph F

    2014-10-01

    Six years have passed since the first International Consensus Conference on Laparoscopic Liver Resection was held. This comparatively new surgical technique has evolved since then and is rapidly being adopted worldwide. We compared the theoretical differences between open and laparoscopic liver resection, using right hepatectomy as an example. We also searched the Cochrane Library using the keyword "laparoscopic liver resection." The papers retrieved through the search were reviewed, categorized, and applied to the clinical questions that will be discussed at the 2nd Consensus Conference. The laparoscopic hepatectomy procedure is more difficult to master than the open hepatectomy procedure because of the movement restrictions imposed upon us when we operate from outside the body cavity. However, good visibility of the operative field around the liver, which is located beneath the costal arch, and the magnifying provide for neat transection of the hepatic parenchyma. Another theoretical advantage is that pneumoperitoneum pressure reduces hemorrhage from the hepatic vein. The literature search turned up 67 papers, 23 of which we excluded, leaving only 44. Two randomized controlled trials (RCTs) are underway, but their results are yet to be published. Most of the studies (n = 15) concerned short-term results, with some addressing long-term results (n = 7), cost (n = 6), energy devices (n = 4), and so on. Laparoscopic hepatectomy is theoretically superior to open hepatectomy in terms of good visibility of the operative field due to the magnifying effect and reduced hemorrhage from the hepatic vein due to pneumoperitoneum pressure. However, there is as yet no evidence from previous studies to back this up in terms of short-term and long-term results. The 2nd International Consensus Conference on Laparoscopic Liver Resection will arrive at a consensus on the basis of the best available evidence, with video presentations focusing on surgical techniques and the publication

  12. Accuracy of perturbative master equations.

    PubMed

    Fleming, C H; Cummings, N I

    2011-03-01

    We consider open quantum systems with dynamics described by master equations that have perturbative expansions in the system-environment interaction. We show that, contrary to intuition, full-time solutions of order-2n accuracy require an order-(2n+2) master equation. We give two examples of such inaccuracies in the solutions to an order-2n master equation: order-2n inaccuracies in the steady state of the system and order-2n positivity violations. We show how these arise in a specific example for which exact solutions are available. This result has a wide-ranging impact on the validity of coupling (or friction) sensitive results derived from second-order convolutionless, Nakajima-Zwanzig, Redfield, and Born-Markov master equations.

  13. Disformal invariance of curvature perturbation

    SciTech Connect

    Motohashi, Hayato; White, Jonathan E-mail: jwhite@post.kek.jp

    2016-02-01

    We show that under a general disformal transformation the linear comoving curvature perturbation is not identically invariant, but is invariant on superhorizon scales for any theory that is disformally related to Horndeski's theory. The difference between disformally related curvature perturbations is found to be given in terms of the comoving density perturbation associated with a single canonical scalar field. In General Relativity it is well-known that this quantity vanishes on superhorizon scales through the Poisson equation that is obtained on combining the Hamiltonian and momentum constraints, and we confirm that a similar result holds for any theory that is disformally related to Horndeski's scalar-tensor theory so long as the invertibility condition for the disformal transformation is satisfied. We also consider the curvature perturbation at full nonlinear order in the unitary gauge, and find that it is invariant under a general disformal transformation if we assume that an attractor regime has been reached. Finally, we also discuss the counting of degrees of freedom in theories disformally related to Horndeski's.

  14. Idaho National Laboratory Quarterly Performance Analysis - 2nd Quarter FY2014

    SciTech Connect

    Lisbeth A. Mitchell

    2014-06-01

    This report is published quarterly by the Idaho National Laboratory (INL) Performance Assurance Organization. The Department of Energy Occurrence Reporting and Processing System (ORPS), as prescribed in DOE Order 232.2, “Occurrence Reporting and Processing of Operations Information,” requires a quarterly analysis of events, both reportable and not reportable, for the previous 12 months. This report is the analysis of occurrence reports and other deficiency reports (including not reportable events) identified at INL from January 2014 through March 2014.

  15. Fundamentals of Materials Science and Engineering: An Integrated Approach, 2nd Edition

    NASA Astrophysics Data System (ADS)

    Callister, William D., Jr.

    2004-04-01

    This Second Edition of Fundamentals of Materials Science and Engineering continues to take an integrated approach to the topic organization. One specific structure, characteristic, or property type at a time is discussed for all three basic material types--metals, ceramics, and polymeric materials. This order of presentation allows for early introduction of non-metals and supports the engineer's role of choosing a material based on its characteristics. New copies of this text include a CD at no additional charge. The CD is an integral part of the text package and features animated software modules and the last five text chapters in .pdf format.

  16. [Sanitary service of girl guides during the 2nd World War].

    PubMed

    Jezierski, Zdzisław

    2005-01-01

    From the very beginning of the scout organization one of its main trends was the Samaritan service consisting in giving medical help to victims of disasters and acts of God. It became a domain of girls guide mainly. The articles describes a great commitment of the Polish girls guide in the medical assistance offered to their compatriots during the September campaign of 1939 and during the years of occupation from 1939 to 1945. It shows the education and training methods that prepared the girls to work with great dedication. From the first days of the war the girl guides started to work as nurses and orderlies in civil and military hospitals. They organized also their own hospitals and numerous first aid stations in bombed localities and roads frequented by fugitives escaping from the west parts of the country to the eastern territories. Under occupation, the girl guides organized their own underground medical service that collaborated strictly with military organization fighting for independence. Assisted by doctors they organized medical trainings for the members, collected medicines and sanitary materials, preparing themselves for the fights of the last part of the war. The girl guides organized groups of medical assistance of the National Army, which constituted a core of the organization medical service. During the "Storm" action several thousands of girls worked as orderlies that belonged to the combat troops of the National Army. The Warsaw insurrection was the greatest battle of soldiers of the National Army. The girls offered their help to thousands of soldiers and civilian victims.

  17. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Bozkaya, Uǧur

    2014-09-01

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  18. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset perturbation theory

    SciTech Connect

    Bozkaya, Uğur

    2014-09-28

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller–Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  19. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.

    PubMed

    Bozkaya, Uğur

    2014-09-28

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  20. Directional fidelity of nanoscale motors and particles is limited by the 2nd law of thermodynamics--via a universal equality.

    PubMed

    Wang, Zhisong; Hou, Ruizheng; Efremov, Artem

    2013-07-21

    Directional motion of nanoscale motors and driven particles in an isothermal environment costs a finite amount of energy despite zero work as decreed by the 2nd law, but quantifying this general limit remains difficult. Here we derive a universal equality linking directional fidelity of an arbitrary nanoscale object to the least possible energy driving it. The fidelity-energy equality depends on the environmental temperature alone; any lower energy would violate the 2nd law in a thought experiment. Real experimental proof for the equality comes from force-induced motion of biological nanomotors by three independent groups - for translational as well as rotational motion. Interestingly, the natural self-propelled motion of a biological nanomotor (F1-ATPase) known to have nearly 100% energy efficiency evidently pays the 2nd law decreed least energy cost for direction production.

  1. Ecological validity of the German Bruininks-Oseretsky Test of Motor Proficiency - 2nd Edition.

    PubMed

    Vinçon, Sabine; Green, Dido; Blank, Rainer; Jenetzky, Ekkehart

    2016-11-07

    The diagnosis of Developmental Coordination Disorder (DCD) is based on poor motor coordination in the absence of other neurological disorders. In order to identify the presence of movement difficulties, a standardised motor assessment is recommended to determine the extent of movement problems which may contribute to deficits in daily task performance. A German version of the Bruininks-Oseretsky Test of Motor Proficiency, Second Edition (German BOT-2) was recently published. This study aimed to determine the ecological validity of the German BOT-2 by considering the relationship between assessment of fundamental motor skills with the BOT-2 and performance of everyday motor activities as evaluated by parents. This study used data obtained from the German BOT-2 standardisation study (n=1.177). Subtests were compared with theoretically corresponding tasks via parental ratings of overall fine and gross motor abilities and performance in six typical motor activities. Non-parametric Jonckheere Terpstra test was used to identify differences in ordered contrasts. Subtests reflecting 'Strength', 'Running Speed and Agility', 'Upper-Limb Coordination', 'Balance', and 'Fine Motor Precision' were associated with parental evaluation of gross motor skills (p<0.001). The subtest 'Fine Motor Integration' significantly correlated with parental ratings of females' fine motor skills. Parental ratings of males' fine motor skills were associated with three further subtests. Regarding everyday motor activities, the first three fine motor BOT-2 subtests were associated with parent evaluations of drawing, writing and arts and crafts (p<0.001). Gross motor subtests of 'Bilateral Coordination' and 'Balance' showed no relationship to bike riding or performance in sports. Subtests of 'Upper-Limb Coordination' and 'Strength' showed significant correlations with sports, ball games and cycling. The results of this study suggest that the closer the proximity in the nature of the motor skills

  2. [Looking back but facing ahead: implementing lessons learned from the 2nd Lebanon War].

    PubMed

    Adini, Bruria; Laor, Danny; Lev, Boaz; Israeli, Avi

    2010-07-01

    The medical system utilizes a structured culture for learning lessons in order to improve the supply of services. Various tools are utilized to evaluate performance. The aim of the article is to describe the processes for learning lessons which were carried out following the Second Lebanon War and the major lessons that were identified and implemented. Three processes were performed: a process of learning Lessons of the heaLthcare system, initiated and led by the Supreme HeaLth Authority (SHA); After action review (AAR), initiated and led by the military Medical Corps and; at a later stage, a critique, initiated and led by the State Comptroller, that examined the performance of the medical system, as part of a critique on the preparedness of the home front. The following elements were defined as highly prioritized for improvement to elevate the preparedness for a future war: (1) deployment of unified clinics in conflict areas; (2) supply of medical services to the population in shelters; (3) deploying emergency medicine services, including the relationship between the Ministry of Health (MOH) and the Home Front Command (HFC); (4) defining the relationships between the MOH and HFC in deploying the community health services in emergencies; (5) protecting medical facilities and personal protection equipment for medical teams and; (6) treating acute stress reactions. The AAR, critique and learning lessons signify three different processes that can sometimes be contradictory. Nevertheless, it is possible to achieve organizational improvement white integrating between these three processes, as was displayed by the SHA.

  3. R evolution: Improving perturbative QCD

    SciTech Connect

    Hoang, Andre H.; Jain, Ambar; Stewart, Iain W.; Scimemi, Ignazio

    2010-07-01

    Perturbative QCD results in the MS scheme can be dramatically improved by switching to a scheme that accounts for the dominant power law dependence on the factorization scale in the operator product expansion. We introduce the ''MSR scheme'' which achieves this in a Lorentz and gauge invariant way and has a very simple relation to MS. Results in MSR depend on a cutoff parameter R, in addition to the {mu} of MS. R variations can be used to independently estimate (i.) the size of power corrections, and (ii.) higher-order perturbative corrections (much like {mu} in MS). We give two examples at three-loop order, the ratio of mass splittings in the B*-B and D*-D systems, and the Ellis-Jaffe sum rule as a function of momentum transfer Q in deep inelastic scattering. Comparing to data, the perturbative MSR results work well even for Q{approx}1 GeV, and power corrections are reduced compared to MS.

  4. Numerical Simulation of the Francis Turbine and CAD used to Optimized the Runner Design (2nd).

    NASA Astrophysics Data System (ADS)

    Sutikno, Priyono

    2010-06-01

    Hydro Power is the most important renewable energy source on earth. The water is free of charge and with the generation of electric energy in a Hydroelectric Power station the production of green house gases (mainly CO2) is negligible. Hydro Power Generation Stations are long term installations and can be used for 50 years and more, care must be taken to guarantee a smooth and safe operation over the years. Maintenance is necessary and critical parts of the machines have to be replaced if necessary. Within modern engineering the numerical flow simulation plays an important role in order to optimize the hydraulic turbine in conjunction with connected components of the plant. Especially for rehabilitation and upgrading existing Power Plants important point of concern are to predict the power output of turbine, to achieve maximum hydraulic efficiency, to avoid or to minimize cavitations, to avoid or to minimized vibrations in whole range operation. Flow simulation can help to solve operational problems and to optimize the turbo machinery for hydro electric generating stations or their component through, intuitive optimization, mathematical optimization, parametric design, the reduction of cavitations through design, prediction of draft tube vortex, trouble shooting by using the simulation. The classic design through graphic-analytical method is cumbersome and can't give in evidence the positive or negative aspects of the designing options. So it was obvious to have imposed as necessity the classical design methods to an adequate design method using the CAD software. There are many option chose during design calculus in a specific step of designing may be verified in ensemble and detail form a point of view. The final graphic post processing would be realized only for the optimal solution, through a 3 D representation of the runner as a whole for the final approval geometric shape. In this article it was investigated the redesign of the hydraulic turbine's runner

  5. Consensus Report: 2nd European Workshop on Tobacco Use Prevention and Cessation for Oral Health Professionals.

    PubMed

    Ramseier, Christoph A; Warnakulasuriya, Saman; Needleman, Ian G; Gallagher, Jennifer E; Lahtinen, Aira; Ainamo, Anja; Alajbeg, Ivan; Albert, David; Al-Hazmi, Nadia; Antohé, Magda Ecaterina; Beck-Mannagetta, Johann; Benzian, Habib; Bergström, Jan; Binnie, Viv; Bornstein, Michael; Büchler, Silvia; Carr, Alan; Carrassi, Antonio; Casals Peidró, Elias; Chapple, Ian; Compton, Sharon; Crail, Jon; Crews, Karen; Davis, Joan Mary; Dietrich, Thomas; Enmark, Birgitta; Fine, Jared; Gallagher, Jennifer; Jenner, Tony; Forna, Doriana; Fundak, Angela; Gyenes, Monika; Hovius, Marjolijn; Jacobs, Annelies; Kinnunen, Taru; Knevel, Ron; Koerber, Anne; Labella, Roberto; Lulic, Martina; Mattheos, Nikos; McEwen, Andy; Ohrn, Kerstin; Polychronopoulou, Argy; Preshaw, Philip; Radley, Nicki; Rosseel, Josine; Schoonheim-Klein, Meta; Suvan, Jean; Ulbricht, Sabina; Verstappen, Petra; Walter, Clemens; Warnakulasuriya, Saman; Wennström, Jan; Wickholm, Seppo; Zoitopoulos, Liana

    2010-02-01

    Tobacco use has been identified as a major risk factor for oral disorders such as cancer and periodontal disease. Tobacco use cessation (TUC) is associated with the potential for reversal of precancer, enhanced outcomes following periodontal treatment, and better periodontal status compared to patients who continue to smoke. Consequently, helping tobacco users to quit has become a part of both the responsibility of oral health professionals and the general practice of dentistry. TUC should consist of behavioural support, and if accompanied by pharmacotherapy, is more likely to be successful. It is widely accepted that appropriate compensation of TUC counselling would give oral health professionals greater incentives to provide these measures. Therefore, TUC-related compensation should be made accessible to all dental professionals and be in appropriate relation to other therapeutic interventions. International and national associations for oral health professionals are urged to act as advocates to promote population, community and individual initiatives in support of tobacco use prevention and cessation (TUPAC) counselling, including integration in undergraduate and graduate dental curricula. In order to facilitate the adoption of TUPAC strategies by oral health professionals, we propose a level of care model which includes 1) basic care: brief interventions for all patients in the dental practice to identify tobacco users, assess readiness to quit, and request permission to re-address at a subsequent visit, 2) intermediate care: interventions consisting of (brief) motivational interviewing sessions to build on readiness to quit, enlist resources to support change, and to include cessation medications, and 3) advanced care: intensive interventions to develop a detailed quit plan including the use of suitable pharmacotherapy. To ensure that the delivery of effective TUC becomes part of standard care, continuing education courses and updates should be implemented and

  6. Highlights from AGU's 2nd virtual session: New magnetic field satellites

    NASA Astrophysics Data System (ADS)

    Convenors, S.; Olsen, N.; Luehr, H.

    2002-05-01

    Over the past 150 years, the axial dipole component of the Earth's magnetic field has decayed by nearly 10%. This is ten times faster than if the dynamo that generates the field were switched off completely. The current decay rate is characteristic of magnetic reversals, which paleomagnetic data sets have shown occur on average about once every half million years. Three new geomagnetic field satellites have recently been placed in low-earth orbits and are investigating questions such as this rapid decay. Geographically, this decay is largely due to changes in the field in the South Atlantic region, where the expanding and deepening South Atlantic anomaly has serious implications for low-Earth orbit satellite operations. The magnetic field measured at or near the surface of the Earth is the superposition of contributions from a variety of sources: the fluid core,the magnetization of rocks in the Earth's crust, electric currents flowing in the ionosphere and magnetosphere, currents induced in the Earth by the time variations of the field, and electric currents induced by the oceanic circulation. The scientific challenge is the sophisticated separation of these various sources and the accurate determination of the spatial and temporal structure of them all. Multi-point measurements from high-precision satellites are a pre-requisite for such characterizations. With the launch of Oersted (1999), CHAMP and the Oersted-2 experiment onboard SAC-C (2000), there are now three satellites in near-Earth orbit measuring the scalar and vector magnetic fields at the nT accuracy level. In order to improve the utilization of these unique data sets, representatives of these projects publicly released simultaneous observations of data from all three satellites at www.dsri.dk/multimagsatellites. The data selection spanned a variety of viewing geometries, local times, and magnetic disturbance levels. Descriptive models and indices were also included. Presentations described the utility

  7. Perturbation calculation of thermodynamic density of states

    SciTech Connect

    Brown, Greg; Schulthess, Thomas C; Nicholson, Don M; Eisenbach, Markus; Stocks, George Malcolm

    2011-01-01

    The density of states g( ) is frequently used to calculate the temperature-dependent properties of a thermodynamic system. Here a derivation is given for calculating the warped density of states g ( ) resulting from the addition of a perturbation. The method is validated for a classical Heisenberg model of bcc Fe and the errors in the free energy are shown to be second order in the perturbation. Taking the perturbation to be the difference between a first-principles quantum-mechanical energy and a corresponding classical energy, this method can significantly reduce the computational effort required to calculate g( ) for quantum systems using the Wang-Landau approach.

  8. 2nd International Symposium on Fundamental Aspects of Rare-earth Elements Mining and Separation and Modern Materials Engineering (REES-2015)

    NASA Astrophysics Data System (ADS)

    Tavadyan, Levon, Prof; Sachkov, Viktor, Prof; Godymchuk, Anna, Dr.; Bogdan, Anna

    2016-01-01

    The 2nd International Symposium «Fundamental Aspects of Rare-earth Elements Mining and Separation and Modern Materials Engineering» (REES2015) was jointly organized by Tomsk State University (Russia), National Academy of Science (Armenia), Shenyang Polytechnic University (China), Moscow Institute of Physics and Engineering (Russia), Siberian Physical-technical Institute (Russia), and Tomsk Polytechnic University (Russia) in September, 7-15, 2015, Belokuriha, Russia. The Symposium provided a high quality of presentations and gathered engineers, scientists, academicians, and young researchers working in the field of rare and rare earth elements mining, modification, separation, elaboration and application, in order to facilitate aggregation and sharing interests and results for a better collaboration and activity visibility. The goal of the REES2015 was to bring researchers and practitioners together to share the latest knowledge on rare and rare earth elements technologies. The Symposium was aimed at presenting new trends in rare and rare earth elements mining, research and separation and recent achievements in advanced materials elaboration and developments for different purposes, as well as strengthening the already existing contacts between manufactures, highly-qualified specialists and young scientists. The topics of the REES2015 were: (1) Problems of extraction and separation of rare and rare earth elements; (2) Methods and approaches to the separation and isolation of rare and rare earth elements with ultra-high purity; (3) Industrial technologies of production and separation of rare and rare earth elements; (4) Economic aspects in technology of rare and rare earth elements; and (5) Rare and rare earth based materials (application in metallurgy, catalysis, medicine, optoelectronics, etc.). We want to thank the Organizing Committee, the Universities and Sponsors supporting the Symposium, and everyone who contributed to the organization of the event and to

  9. Roles of doping ions in afterglow properties of blue CaAl2O4:Eu2+,Nd3+ phosphors

    NASA Astrophysics Data System (ADS)

    Wako, A. H.; Dejene, B. F.; Swart, H. C.

    2014-04-01

    Eu2+ doped and Nd3+ co-doped calcium aluminate (CaAl2O4:Eu2+,Nd3+) phosphor was prepared by a urea-nitrate solution combustion method at furnace temperatures as low as 500 °C. The produced CaAl2O4:Eu2+,Nd3+ powder was investigated in terms of phase composition, morphology and luminescence by X-Ray diffraction (XRD), Scanning Electron Microscope (SEM), Fourier Transform Infra Red spectroscopy (FTIR) and Photoluminescence (PL) techniques respectively. XRD analysis depicts a dominant monoclinic phase that indicates no change in the crystalline structure of the phosphor with varying concentration of Eu2+ and Nd3+. SEM results show agglomerates with non-uniform shapes and sizes with a number of irregular network structures having lots of voids and pores. The Energy Dispersive X-ray Spectroscopy (EDS) and (FTIR) spectra confirm the expected chemical components of the phosphor. PL measurements indicated one broadband excitation spectra from 200 to 300 nm centered around 240 nm corresponding to the crystal field splitting of the Eu2+ d-orbital and an emission spectrum in the blue region with a maximum on 440 nm. This is a strong indication that there was dominantly one luminescence center, Eu2+ which represents emission from transitions between the 4f7 ground state and the 4f6-5d1 excited state configuration. High concentrations of Eu2+ and Nd3+ generally reduce both intensity and lifetime of the phosphor powders. The optimized content of Eu2+ is 1 mol% and for Nd3+ is 1 mol% for the obtained phosphors with excellent optical properties. The phosphor also emits visible light at around 587 and 616 nm. Such emissions can be ascribed to the 5D0-7F1 and 5D0-7F2 intrinsic transition of Eu3+ respectively. The decay characteristics exhibit a significant rise in initial intensity with increasing Eu2+ doping concentration while the decay time increased with Nd3+ co-doping. The observed afterglow can be ascribed to the generation of suitable traps due to the presence of the Nd3

  10. Perturbed nonlinear differential equations

    NASA Technical Reports Server (NTRS)

    Proctor, T. G.

    1974-01-01

    For perturbed nonlinear systems, a norm, other than the supremum norm, is introduced on some spaces of continuous functions. This makes possible the study of new types of behavior. A study is presented on a perturbed nonlinear differential equation defined on a half line, and the existence of a family of solutions with special boundedness properties is established. The ideas developed are applied to the study of integral manifolds, and examples are given.

  11. Dynamics of the properties of steppe paleosols of the Sarmatian time (2nd century BC-4th century AD) in relation to secular variations in climatic humidity

    NASA Astrophysics Data System (ADS)

    Demkin, V. A.; Zolotareva, B. N.; Demkina, T. S.; Khomutova, T. E.; Kashirskaya, N. N.; El'Tsov, M. V.; Udal'Tsov, S. N.

    2012-02-01

    Paleosols buried under kurgans of the Early (2nd-1st centuries BC), Middle (1st-2nd centuries AD) and Late (2nd-IV centuries AD) Sarmatian epochs were studied in dry steppes and desert steppes of the Lower Volga region (the Privolzhskaya and Ergeni Uplands and the Caspian Lowland). It was found that temporal variations in the morphological, chemical, microbiological, and magnetic properties of the paleosols in the interval of 2200-1600 BP were characterized by the cyclic pattern related to secular dynamics of climatic humidity with changes in the mean annual precipitation of ±30-50 mm. These climate changes did not transform chestnut paleosols and paleosolonetzes at the type or subtype taxonomic levels. However, they led to certain changes in the humus, carbonate, and salt profiles of the soils; in the character of solonetzic horizon B1; and in the state of microbial communities. According to these data, the Sarmatian time was characterized by alternation of micropluvial and microarid stages lasting fro about 100-200 years. In particular, the stages of humidization were observed in the 1st century BC-1st century AD and in the 4th century AD; the most arid conditions were observed in the second half of the 2nd and the first half of the 3rd century AD.

  12. Research and Prediction of the Application of Multimedia Teaching Aid in Teaching Technical Education on the 2nd Level of Primary Schools

    ERIC Educational Resources Information Center

    Stebila, Ján

    2011-01-01

    The purpose and the main aim of the pedagogic experiment were to practically verify the success of Multimedia Teaching Aid (MTA) in conditions of primary schools. We assumed that the use of our multimedia teaching aid in teaching technical education on the 2nd level of primary schools would significantly affect the level of knowledge of pupils…

  13. 2nd dimensional GC-MS analysis of sweat volatile organic compounds prepared by solid phase micro-extraction.

    PubMed

    Choi, Mi-Jung; Oh, Chang-Hwan

    2014-01-01

    The characteristics of an individual's odor from sweat, breath and skin provide important information for criminal tracking in field of forensic science. Solid phase micro-extraction gas chromatography/mass spectrometry (SPME-GC/MS) was used to determine human sweat volatile organic compounds (VOCs) profiles. The mass spectrometric analysis (with electron impact mode) followed by 2nd dimensional separation with two different GC columns (one polar and one relatively nonpolar) connected in parallel were used to identify the 574 compounds from sweat samples. The components included alcohols, aldehydes, aliphatics/aromatics, carboxylic acids, esters, ketones, and other organic compounds (amides/amines, thio/thioesters, oxide, sulfides, nitro compounds). Of these compounds, 1-tridecanol, 1,3-bis(1,1-dimethyl ethyl)-benzene, 4,4'-(1-methylethylidene) bis-phenol and 7-acetyl-6-ethyl-1,1,4,4,-tetramethyl-tetraline were common components in all donor's sweat volatile samples. Age-related specific compounds were also detected. The results suggest that characteristic volatile profiles of human sweat emanations could provide the valuable information to forensic scientists.

  14. RF SOI CMOS technology on 1st and 2nd generation trap-rich high resistivity SOI wafers

    NASA Astrophysics Data System (ADS)

    Kazemi Esfeh, B.; Makovejev, S.; Basso, Didier; Desbonnets, Eric; Kilchytska, V.; Flandre, D.; Raskin, J.-P.

    2017-02-01

    In this work three different types of UNIBOND™ Silicon-on-Insulator (SOI) wafers including one standard HR-SOI and two types of trap-rich high resistivity HR-SOI substrates named enhanced signal integrity high resistivity silicon-on-insulator (eSI HR-SOI) provided by SOITEC are studied and compared. The DC and RF performances of these wafers are compared by means of passive and active devices such as coplanar waveguide (CPW) lines, crosstalk- and noise injection-structures as well as partially-depleted (PD) SOI MOSFETs. It is demonstrated that by employing enhanced signal integrity high resistivity silicon-on-insulator (eSI HR-SOI) compared to HR-SOI wafer, a reduction of 24 dB is measured on both generations of trap-rich HR-SOI for 2nd harmonics. Furthermore, it is shown that in eSI HR-SOI, digital substrate noise is effectively reduced compared with HR-SOI. Purely capacitive behavior of eSI HR-SOI is demonstrated by crosstalk structure. Reduction of self-heating effect in the trap-rich HR-SOI with thinner BOX is finally studied.

  15. Horizontal transmission of hepatitis B virus amongst British 2nd World War soldiers in South-East Asia.

    PubMed

    Gill, G V; Bell, D R; Vandervelde, E M

    1991-01-01

    Infection with hepatitis B virus (HBV) is much more common in tropical than in temperate countries. Visitors to the tropics are thus at risk from HBV, though the degree of risk, and the routes of infection involved are uncertain. We report serological markers of HBV in two groups of 2nd World War soldiers, who served in the Thai/Burma jungles. The groups comprised 100 ex-prisoners of the Japanese (POW), and 100 Burma Campaign Veterans (BCV). Surface antigen to HBV (HbsAg) was positive in 0% of POW and 2% of BCV (P = not significant). Surface antibody (anti-HBs) and core antibody (anti-HBc) were both positive in 40% POW and 13% BCV (P less than 0.001). Quoted UK prevalence rates for these markers are 0.1% for HBsAg, 1.5% for anti-HBs and 0.7% for anti-HBc. Both groups thus show very high rates of past HBV infection. For the POW there were many possible reasons, including contaminated surgical instruments and needles, blood transfusions, and multiple beatings with common weapons. None of these factors operated significantly for BCV. Malarial transmission was, however, intense in both groups, though more so in POW. The data thus again raise the possibility of horizontal transmission of HBV by biting insects in tropical countries.

  16. [JAN JĘDRZEJEWICZ AND EUROPEAN ASTRONOMY OF THE 2ND HALF OF THE 19TH CENTURY].

    PubMed

    Siuda-Bochenek, Magda

    2015-01-01

    Jan Jędrzejewicz was an amateur astronomer who in the 2nd half of the 19th century created an observation centre, which considering the level of research was comparable to the European ones. Jędrzejewicz settled down in Plonsk in 1862 and worked as a doctor ever since but his greatest passion was astronomy, to which he dedicated all his free time. In 1875 Jędrzejewicz finished the construction of his observatory. He equipped it with basic astronomical and meteorological instruments, then began his observations and with time he became quite skilled in it. Jędrzejewicz focused mainly on binary stars but he also pointed his telescopes at the planets of the solar system, the comets, the Sun, as well as all the phenomena appearing in the sky at that time. Thanks to the variety of the objects observed and the number of observations he stood out from other observers in Poland and took a very good position in the mainstream of the 19th-century astronomy in Europe. Micrometer observations of binary stars made in Płońsk gained recognition in the West and were included in the catalogues of binary stars. Interest in Jędrzejewicz and his observatory was confirmed by numerous references in the English "Nature" magazine.

  17. Gasification. 2nd. ed.

    SciTech Connect

    Christopher Higman; Maarten van der Burgt

    2008-02-15

    This book covers gasification as a comprehensive topic, covering its many uses, from refining, to natural gas, to coal. It provides an overview of commercial processes and covers applications relevant to today's demands. The new edition is expanded and provides more detail on the integration issues for current generation, state-of-the-art Integrated Gasification Combined Cycles (IGCC); CO{sub 2} capture in the IGCC context addressing the issues of pre-investment and retrofitting as well as defining what the term 'CO{sub 2} capture ready' might mean in practice; issues of plant reliability, availability and maintainability (RAM) including as evaluation of feedback from existing plants; implementation of fuel cell technology in IGCC concepts. Contents are: Introduction; The Thermodynamics of Gasification; The Kinetics of Gasification and Reactor Theory; Feedstocks and Feedstock Characteristics; Gasification Processes; Practical Issues; Applications; Auxiliary Technologies; Economics, environmental, and Safety Issues; Gasification and the Future. 5 apps.

  18. Universe (2nd edition)

    SciTech Connect

    Kaufmann, W.J. III

    1988-01-01

    A general text on astronomy is presented. The foundations of the science are reviewed, including descriptions of naked-eye observatons of eclipses and planetary motions and such basic tools as Kepler's laws, the fundamental properties of light, and the optics of telescopes. The formation of the solar system is addressed, and the planets and their satellites are discussed individually. Solar science is treated in detail. Stellar evolution is described chronologically from birth to death. Molecular clouds, star clusters, nebulae, neutron stars, black holes, and various other phenomena that occur in the life of a star are examined in the sequence in which they naturally occur. A survey of the Milky Way introduces galactic astronomy. Quasars and cosmology are addressed, including the most recent developments in research. 156 references.

  19. Robust control with structured perturbations

    NASA Technical Reports Server (NTRS)

    Keel, Leehyun

    1988-01-01

    Two important problems in the area of control systems design and analysis are discussed. The first is the robust stability using characteristic polynomial, which is treated first in characteristic polynomial coefficient space with respect to perturbations in the coefficients of the characteristic polynomial, and then for a control system containing perturbed parameters in the transfer function description of the plant. In coefficient space, a simple expression is first given for the l(sup 2) stability margin for both monic and non-monic cases. Following this, a method is extended to reveal much larger stability region. This result has been extended to the parameter space so that one can determine the stability margin, in terms of ranges of parameter variations, of the closed loop system when the nominal stabilizing controller is given. The stability margin can be enlarged by a choice of better stabilizing controller. The second problem describes the lower order stabilization problem, the motivation of the problem is as follows. Even though the wide range of stabilizing controller design methodologies is available in both the state space and transfer function domains, all of these methods produce unnecessarily high order controllers. In practice, the stabilization is only one of many requirements to be satisfied. Therefore, if the order of a stabilizing controller is excessively high, one can normally expect to have a even higher order controller on the completion of design such as inclusion of dynamic response requirements, etc. Therefore, it is reasonable to have a lowest possible order stabilizing controller first and then adjust the controller to meet additional requirements. The algorithm for designing a lower order stabilizing controller is given. The algorithm does not necessarily produce the minimum order controller; however, the algorithm is theoretically logical and some simulation results show that the algorithm works in general.

  20. A variable field neutron study of the negative magnetoresistive ruthenocuprate RuSr 2Nd 0.9Y 0.2Ce 0.9Cu 2O 10-δ

    NASA Astrophysics Data System (ADS)

    Mclaughlin, A. C.; Attfield, J. P.

    2007-03-01

    A variable field neutron diffraction study of the ruthenocuprate RuSr 2Nd 0.9Y 0.2Ce 0.9Cu 2O 10-δ, which exhibits large negative magnetoresistance, has been performed in order to determine the variation of the magnetic structure with magnetic field. Upon application of a magnetic field the ({1}/{2} {1}/{2} {1}/{2}) and ({1}/{2} {1}/{2} l) magnetic peaks reduce in intensity as the spins in the RuO 2 and CuO 2 layer cant into a ferromagnetic alignment in the ab-plane. This results in increased spin polarised transport in the CuO 2 plane and hence large negative magnetoresistance.

  1. Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs.

    PubMed

    Bao, Junwei Lucas; Odoh, Samuel O; Gagliardi, Laura; Truhlar, Donald G

    2017-02-14

    We study the performance of multiconfiguration pair-density functional theory (MC-PDFT) and multireference perturbation theory for the computation of the bond dissociation energies in 12 transition-metal-containing diatomic molecules and three small transition-metal-containing polyatomic molecules and in two transition-metal dimers. The first step is a multiconfiguration self-consistent-field calculation, for which two choices must be made: (i) the active space and (ii) its partition into subspaces, if the generalized active space formulation is used. In the present work, the active space is chosen systematically by using three correlated-participating-orbitals (CPO) schemes, and the partition is chosen by using the separated-pair (SP) approximation. Our calculations show that MC-PDFT generally has similar accuracy to CASPT2, and the active-space dependence of MC-PDFT is not very great for transition-metal-ligand bond dissociation energies. We also find that the SP approximation works very well, and in particular SP with the fully translated BLYP functional SP-ftBLYP is more accurate than CASPT2. SP greatly reduces the number of configuration state functions relative to CASSCF. For the cases of FeO and NiO with extended-CPO active space, for which complete active space calculations are unaffordable, SP calculations are not only affordable but also of satisfactory accuracy. All of the MC-PDFT results are significantly better than the corresponding results with broken-symmetry spin-unrestricted Kohn-Sham density functional theory. Finally we test a perturbation theory method based on the SP reference and find that it performs slightly worse than CASPT2 calculations, and for most cases of the nominal-CPO active space, the approximate SP perturbation theory calculations are less accurate than the much less expensive SP-PDFT calculations.

  2. Perturbing macroscopic magnetohydrodynamic stability for toroidal plasmas

    NASA Astrophysics Data System (ADS)

    Comer, Kathryn J.

    convergence. The unexpected sensitivity to equilibrium (rather than wall) perturbations in the toroidal calculations is traced to the compressional Alfven wave energy contribution to the stability. Beyond a very small range of perturbations, second order terms in the expansion of compressional Alfven wave energy become large. We explored several methods of ameliorating these second order terms, but none improve results consistently or in a meaningful way.

  3. Mode coupling of Schwarzschild perturbations: Ringdown frequencies

    NASA Astrophysics Data System (ADS)

    Pazos, Enrique; Brizuela, David; Martín-García, José M.; Tiglio, Manuel

    2010-11-01

    Within linearized perturbation theory, black holes decay to their final stationary state through the well-known spectrum of quasinormal modes. Here we numerically study whether nonlinearities change this picture. For that purpose we study the ringdown frequencies of gauge-invariant second-order gravitational perturbations induced by self-coupling of linearized perturbations of Schwarzschild black holes. We do so through high-accuracy simulations in the time domain of first and second-order Regge-Wheeler-Zerilli type equations, for a variety of initial data sets. We consider first-order even-parity (ℓ=2, m=±2) perturbations and odd-parity (ℓ=2, m=0) ones, and all the multipoles that they generate through self-coupling. For all of them and all the initial data sets considered we find that—in contrast to previous predictions in the literature—the numerical decay frequencies of second-order perturbations are the same ones of linearized theory, and we explain the observed behavior. This would indicate, in particular, that when modeling or searching for ringdown gravitational waves, appropriately including the standard quasinormal modes already takes into account nonlinear effects.

  4. Perturbation analysis of electromagnetic geodesic acoustic modes

    SciTech Connect

    Ren, Haijun

    2014-06-15

    Lagrangian displacement and magnetic field perturbation response to the geodesic acoustic mode is analyzed by using the ideal magnetohydrodynamic equations in a large-aspect-ratio tokamak. δB{sub θ}, the poloidal component of magnetic field perturbation, has poloidal wave number m = 2 created by the poloidal displacement ξ{sub θ}. The parallel perturbation of magnetic field, δB{sub ∥}, has a poloidally asymmetric structure with m = 1 and is on the same order of magnitude with δB{sub θ} to the leading order. The radial displacement ξ{sub r} is of order O(βϵξ{sub θ}) but plays a significant role in determining δB{sub ∥}, where β is the plasma/magnetic pressure ratio and ϵ is the inverse aspect ratio.

  5. Vortex perturbation dynamics

    NASA Technical Reports Server (NTRS)

    Criminale, W. O.; Lasseigne, D. G.; Jackson, T. L.

    1995-01-01

    An initial value approach is used to examine the dynamics of perturbations introduced into a vortex under strain. Both the basic vortex considered and the perturbations are taken as fully three-dimensional. An explicit solution for the time evolution of the vorticity perturbations is given for arbitrary initial vorticity. Analytical solutions for the resulting velocity components are found when the initial vorticity is assumed to be localized. For more general initial vorticity distributions, the velocity components are determined numerically. It is found that the variation in the radial direction of the initial vorticity disturbance is the most important factor influencing the qualitative behavior of the solutions. Transient growth in the magnitude of the velocity components is found to be directly attributable to the compactness of the initial vorticity.

  6. Perturbations for transient acceleration

    SciTech Connect

    Vargas, Cristofher Zuñiga; Zimdahl, Winfried; Hipólito-Ricaldi, Wiliam S. E-mail: hipolito@ceunes.ufes.br

    2012-04-01

    According to the standard ΛCDM model, the accelerated expansion of the Universe will go on forever. Motivated by recent observational results, we explore the possibility of a finite phase of acceleration which asymptotically approaches another period of decelerated expansion. Extending an earlier study on a corresponding homogeneous and isotropic dynamics, in which interactions between dark matter and dark energy are crucial, the present paper also investigates the dynamics of the matter perturbations both on the Newtonian and General Relativistic (GR) levels and quantifies the potential relevance of perturbations of the dark-energy component. In the background, the model is tested against the Supernova type Ia (SNIa) data of the Constitution set and on the perturbative level against growth rate data, among them those of the WiggleZ survey, and the data of the 2dFGRS project. Our results indicate that a transient phase of accelerated expansion is not excluded by current observations.

  7. TOPICAL REVIEW: A concise introduction to perturbation theory in cosmology

    NASA Astrophysics Data System (ADS)

    Malik, Karim A.; Matravers, David R.

    2008-10-01

    We give a concise, self-contained introduction to perturbation theory in cosmology at linear and second orders, striking a balance between mathematical rigour and usability. In particular, we discuss gauge issues and the active and passive approaches to calculating gauge transformations. We also construct gauge-invariant variables, including the second-order tensor perturbation on uniform curvature hypersurfaces.

  8. Perturbed nonlinear differential equations

    NASA Technical Reports Server (NTRS)

    Proctor, T. G.

    1972-01-01

    The existence of a solution defined for all t and possessing a type of boundedness property is established for the perturbed nonlinear system y = f(t,y) + F(t,y). The unperturbed system x = f(t,x) has a dichotomy in which some solutions exist and are well behaved as t increases to infinity, and some solution exists and are well behaved as t decreases to minus infinity. A similar study is made for a perturbed nonlinear differential equation defined on a half line, R+, and the existence of a family of solutions with special boundedness properties is established. The ideas are applied to integral manifolds.

  9. Use of prelecture assignment to enhance learning in pharmacology lectures for the 2nd year medical students

    PubMed Central

    Ahsan, Marya; Mallick, Ayaz Khurram

    2016-01-01

    Objectives: Majority of teaching hours allotted by the Medical Council of India in pharmacology are utilized in the form of didactic lecture. Although these lectures are an excellent tool to deliver the information to a large group of students, it usually ends up as a one-sided teaching session with most students being the passive listeners. To make these lectures interesting and effective, we introduced the students to prelecture assignment (PLA) in the form of clinical case before the delivery of the lecture. Methods: This prospective educational trial was conducted in the Department of Pharmacology with undergraduate medical students in their 2nd year of their professional course. They were divided into two groups of 75 each. Group A was provided the PLA before the lecture. Group B students directly attended the lecture, sans the PLA. Multiple-choice questions-based test was conducted 2 days after the lecture. Students who failed to complete the assignment and were absent from the lecture and test were excluded from the study. Feedback from the students was obtained after the lecture. The scores in the test and responses were compiled and analyzed using Statistical Package for Social Sciences (SPSS) software version 21.0 (SPSS Inc., Chicago, IL, USA). Results were expressed in percentages and as mean ± standard deviation as applicable. P < 0.05 was considered statistically significant. Results: Fifty-six students from Group A and 42 from Group B appeared for the test. The students who were given PLA scored better. They felt more confident in answering and understood the topic better than the students of other group. Conclusion: PLA is a useful teaching-learning tool. The pharmacology lectures are interactive, interesting, and easy to understand with this tool. PMID:28031612

  10. Differences in risk factors for 2nd and 3rd degree hypospadias in the National Birth Defects Prevention Study

    PubMed Central

    in 't Woud, Sander Groen; van Rooij, Iris A.L.M.; van Gelder, Marleen M.H.J.; Olney, Richard S.; Carmichael, Suzan L.; Roeleveld, Nel; Reefhuis, Jennita

    2015-01-01

    Background Hypospadias is a frequent birth defect with three phenotypic subtypes. With data from the National Birth Defects Prevention Study, a large, multi-state, population-based, case-control study, we compared risk factors for second and third degree hypospadias. Methods A wide variety of data on maternal and pregnancy-related risk factors for isolated second and third degree hypospadias was collected via computer-assisted telephone interviews to identify potential etiological differences between the two phenotypes. Logistic regression was used to calculate odds ratios including a random effect by study center. Results In total, 1547 second degree cases, 389 third degree cases, and 5183 male controls were included in our study. Third degree cases were more likely to have a non-Hispanic black or Asian/Pacific Islander mother, be delivered preterm, have a low birth weight, be small for gestational age, and be conceived with fertility treatments than second degree cases and controls. Associations with both second and third degree hypospadias were observed for maternal age, family history, parity, plurality, and hypertension during pregnancy. Risk estimates were generally higher for third degree hypospadias except for family history. Conclusions Most risk factors were associated with both or neither phenotype. Therefore, it is likely that the underlying mechanism is at least partly similar for both phenotypes. However, some associations were different between 2nd and 3rd degree hypospadias, and went in opposite directions for second and third degree hypospadias for Asian/Pacific Islander mothers. Effect estimates for subtypes of hypospadias may be over- or underestimated in studies without stratification by phenotype. PMID:25181604

  11. ENABLE -- A systolic 2nd level trigger processor for track finding and e/[pi] discrimination for ATLAS/LHC

    SciTech Connect

    Klefenz, F.; Noffz, K.H.; Zoz, R. . Lehrstuhl fuer Informatik V); Maenner, R. . Interdisziplinaeres Zentrum fuer Wissenschaftliches Rechnen)

    1994-08-01

    The Enable Machine is a systolic 2nd level trigger processor for the transition radiation detector (TRD) of ATLAS/LHC. It is developed within the EAST/RD-11 collaboration at CERN. The task of the processor is to find electron tracks and to reject pion tracks according to the EAST benchmark algorithm in less than 10[mu]s. Track are identified by template matching in a ([psi],z) region of interest (RoI) selected by a 1st level trigger. In the ([psi],z) plane tracks of constant curvature are straight lines. The relevant lines form mask templates. Track identification is done by histogramming the coincidences of the templates and the RoI data for each possible track. The Enable Machine is an array processor that handles tracks of the same slope in parallel, and tracks of different slope in a pipeline. It is composed of two units, the Enable histogrammer unit and the Enable z/[psi]-board. The interface daughter board is equipped with a HIPPI-interface developed at JINR/-Dubna, and Xilinx 'corner turning' data converter chips. Enable uses programmable gate arrays (XILINX) for histogramming and synchronous SRAMs for pattern storage. With a clock rate of 40 MHz the trigger decision time is 6.5 [mu]s and the latency 7.0 [mu]s. The Enable machine is scalable in the RoI size as well as in the number of tracks processed. It can be adapted to different recognition tasks and detector setups. The prototype of the Enable Machine has been tested in a beam time of the RD6 collaboration at CERN in October 1993.

  12. Interaction between Short-Term Heat Pretreatment and Fipronil on 2nd Instar Larvae of Diamondback Moth, Plutella Xylostella (Linn)

    PubMed Central

    Gu, Xiaojun; Tian, Sufen; Wang, Dehui; Gao, Fei; Wei, Hui

    2010-01-01

    Based on the cooperative virulence index (c.f.) and LC50 of fipronil, the interaction effect between short-term heat pretreatment and fipronil on 2nd instar larvae of diamondback moth (DBM), Plutella xylostella (Linnaeus), was assessed. The results suggested that pretreatment of the tested insects at 30 °C for 2, 4 and 8h could somewhat decrease the toxicity of fipronil at all set concentrations. The LC50 values of fipronil increased after heat pretreatment and c.f. values in all these treatments were below zero. These results indicated that real mortalities were less than theoretical ones and antagonism was found in the treatments of fipronil at 0.39 and 0.78 mg/L after heat pretreatment at 30 °C at 2, 4 and 8 h. However, pretreatment at 30 °C for 12h could increase the toxicity of fipronil at all set concentrations, the LC50 of fipronil decreased after heat pretreatment and c.f. values in all these treatments were above zero, which indicated real mortalities were higher than theoretical ones. Pretreatment of the tested insects at 35 °C for 2, 4, 8 and 12h was found to increase the toxicity of fipronil at all set concentrations which resulted in the decrease of LC50 values of fipronil and c.f. above zero in all treatments with only one exception. Most interactions were assessed as synergism. The results indicated that cooperative virulence index (c.f.) may be adopted in hormetic effect assessment. PMID:20877489

  13. Perturbing turbulence beyond collapse

    NASA Astrophysics Data System (ADS)

    Kühnen, Jakob; Scarselli, Davide; Hof, Björn; Nonlinear Dynamics; Turbulence Group Team

    2016-11-01

    Wall-bounded turbulent flows are considered to be in principle stable against perturbations and persist as long as the Reynolds number is sufficiently high. We show for the example of pipe flow that a specific perturbation of the turbulent flow field disrupts the genesis of new turbulence at the wall. This leads to an immediate collapse of the turbulent flow and causes complete relaminarisation further downstream. The annihilation of turbulence is effected by a steady manipulation of the streamwise velocity component only, greatly simplifying control efforts which usually require knowledge of the highly complex three dimensional and time dependent velocity fields. We present several different control schemes from laboratory experiments which achieve the required perturbation of the flow for total relaminarisation. Transient growth, a linear amplification mechanism measuring the efficiency of eddies in redistributing shear that quantifies the maximum perturbation energy amplification achievable over a finite time in a linearized framework, is shown to set a clear-cut threshold below which turbulence is impeded in its formation and thus permanently annihilated.

  14. Cosmological perturbations in antigravity

    NASA Astrophysics Data System (ADS)

    Oltean, Marius; Brandenberger, Robert

    2014-10-01

    We compute the evolution of cosmological perturbations in a recently proposed Weyl-symmetric theory of two scalar fields with oppositely signed conformal couplings to Einstein gravity. It is motivated from the minimal conformal extension of the standard model, such that one of these scalar fields is the Higgs while the other is a new particle, the dilaton, introduced to make the Higgs mass conformally symmetric. At the background level, the theory admits novel geodesically complete cyclic cosmological solutions characterized by a brief period of repulsive gravity, or "antigravity," during each successive transition from a big crunch to a big bang. For simplicity, we consider scalar perturbations in the absence of anisotropies, with potential set to zero and without any radiation. We show that despite the necessarily wrong-signed kinetic term of the dilaton in the full action, these perturbations are neither ghostlike nor tachyonic in the limit of strongly repulsive gravity. On this basis, we argue—pending a future analysis of vector and tensor perturbations—that, with respect to perturbative stability, the cosmological solutions of this theory are viable.

  15. Note on the semiclassicality of cosmological perturbations

    NASA Astrophysics Data System (ADS)

    Donà, Pietro; Marcianò, Antonino

    2016-12-01

    Moving from the consideration that matter fields must be treated in terms of their fundamental quantum counterparts, we show straightforward arguments, within the framework of ordinary quantum mechanics and quantum field theory, in order to convince readers that cosmological perturbations must be addressed in term of the semiclassical limit of the expectation value of quantum fields. We first take into account cosmological perturbations originated by a quantum scalar field, and then extend our treatment in order to account for the expectation values of bilinears of Dirac fermion fields. The latter can indeed transform as scalar quantities under diffeomorphisms, as well as all the other bilinear of the Dirac fields that belong to the Clifford algebra. This is the first of a series of works that is intended to prove that cosmological quantum perturbations can actually be accounted for in terms of Dirac fermion fields, which must be treated as fundamental quantum objects, and their dynamics.

  16. Biological Damage Threshold Induced by Ultrashort Fundamental, 2nd, and 4th Harmonic Light Pulses from a Mode-Locked Nd: Glass Laser.

    DTIC Science & Technology

    1980-12-01

    BY ULTRASHORT FUNDAMENTAL, 2ND, AND 4TH HARMONIC LIGHT PULSES 00 , FROM A MODE-LOCKED Nd:GLASS LASER C Adam P. Bruckner, Ph.D. J. Michael Schurr, Ph.D...Medicine, Aerospace Medical Division, AFSC, Brooks Air Force Base, Texas. Dr. Taboada (USAFSAM/RZL) was the Laboratory Project Scientist-in-Charge. When... TABOADA , Ph.D. /AONN E. PICKERING, M.S. Project Scientist Chief, Radiation Sciences Division ROY L. DEHART Colonel, USAF, MC Commander UNCLASSIFIED S

  17. Perturbations of ultralight vector field dark matter

    NASA Astrophysics Data System (ADS)

    Cembranos, J. A. R.; Maroto, A. L.; Núñez Jareño, S. J.

    2017-02-01

    We study the dynamics of cosmological perturbations in models of dark matter based on ultralight coherent vector fields. Very much as for scalar field dark matter, we find two different regimes in the evolution: for modes with {k}^2≪ Hma, we have a particle-like behaviour indistinguishable from cold dark matter, whereas for modes with {k}^2≫ Hma, we get a wave-like behaviour in which the sound speed is non-vanishing and of order c s 2 ≃ k 2/ m 2 a 2. This implies that, also in these models, structure formation could be suppressed on small scales. However, unlike the scalar case, the fact that the background evolution contains a non-vanishing homogeneous vector field implies that, in general, the evolution of the three kinds of perturbations (scalar, vector and tensor) can no longer be decoupled at the linear level. More specifically, in the particle regime, the three types of perturbations are actually decoupled, whereas in the wave regime, the three vector field perturbations generate one scalar-tensor and two vector-tensor perturbations in the metric. Also in the wave regime, we find that a non-vanishing anisotropic stress is present in the perturbed energy-momentum tensor giving rise to a gravitational slip of order ( Φ - Ψ)/ Φ ˜ c s 2 . Moreover in this regime the amplitude of the tensor to scalar ratio of the scalar-tensor modes is also h/ Φ ˜ c s 2 . This implies that small-scale density perturbations are necessarily associated to the presence of gravity waves in this model. We compare their spectrum with the sensitivity of present and future gravity waves detectors.

  18. SHARK (System for coronagraphy with High order Adaptive optics from R to K band): a proposal for the LBT 2nd generation instrumentation

    NASA Astrophysics Data System (ADS)

    Farinato, Jacopo; Pedichini, Fernando; Pinna, Enrico; Baciotti, Francesca; Baffa, Carlo; Baruffolo, Andrea; Bergomi, Maria; Bruno, Pietro; Cappellaro, Enrico; Carbonaro, Luca; Carlotti, Alexis; Centrone, Mauro; Close, Laird; Codona, Johanan; Desidera, Silvano; Dima, Marco; Esposito, Simone; Fantinel, Daniela; Farisato, Giancarlo; Fontana, Adriano; Gaessler, Wolfgang; Giallongo, Emanuele; Gratton, Raffaele; Greggio, Davide; Guerra, Juan Carlos; Guyon, Olivier; Hinz, Philip; Leone, Francesco; Lisi, Franco; Magrin, Demetrio; Marafatto, Luca; Munari, Matteo; Pagano, Isabella; Puglisi, Alfio; Ragazzoni, Roberto; Salasnich, Bernardo; Sani, Eleonora; Scuderi, Salvo; Stangalini, Marco; Testa, Vincenzo; Verinaud, Christophe; Viotto, Valentina

    2014-08-01

    This article presents a proposal aimed at investigating the technical feasibility and the scientific capabilities of high contrast cameras to be implemented at LBT. Such an instrument will fully exploit the unique LBT capabilities in Adaptive Optics (AO) as demonstrated by the First Light Adaptive Optics (FLAO) system, which is obtaining excellent results in terms of performance and reliability. The aim of this proposal is to show the scientific interest of such a project, together with a conceptual opto-mechanical study which shows its technical feasibility, taking advantage of the already existing AO systems, which are delivering the highest Strehl experienced in nowadays existing telescopes. Two channels are foreseen for SHARK, a near infrared channel (2.5-0.9 um) and a visible one (0.9 - 0.6 um), both providing imaging and coronagraphic modes. The visible channel is equipped with a very fast and low noise detector running at 1.0 kfps and an IFU spectroscopic port to provide low and medium resolution spectra of 1.5 x 1.5 arcsec fields. The search of extra solar giant planets is the main science case and the driver for the technical choices of SHARK, but leaving room for several other interesting scientific topics, which will be briefly depicted here.

  19. Cloud Occurrence Measurements Over Sea during the 2nd 7 Southeast Asian Studies (7SEAS) Field Campaign in Palawan Archipelago

    NASA Astrophysics Data System (ADS)

    Antioquia, C. T.; Uy, S. N.; Caballa, K.; Lagrosas, N.

    2014-12-01

    Ground based sky imaging cameras have been used to measure cloud cover over an area to aid in radiation budget models. During daytime, certain clouds tend to help decrease atmospheric temperature by obstructing sunrays in the atmosphere. Thus, the detection of clouds plays an important role in the formulation of radiation budget in the atmosphere. In this study, a wide angled sky imager (GoPro Hero 2) was brought on board M/Y Vasco to detect and quantity cloud occurrence over sea during the 2nd 7SEAS field campaign. The camera is just a part of a number of scientific instruments used to measure weather, aerosol chemistry and solar radiation among others. The data collection started during the departure from Manila Bay on 05 September 2012 and went on until the end of the cruise (29 September 2012). The camera was placed in a weather-proof box that is then affixed on a steel mast where other instruments are also attached during the cruise. The data has a temporal resolution of 1 minute, and each image is 500x666 pixels in size. Fig. 1a shows the track of the ship during the cruise. The red, blue, hue, saturation, and value of the pixels are analysed for cloud occurrence. A pixel is considered to "contain" thick cloud if it passes all four threshold parameters (R-B, R/B, R-B/R+B, HSV; R is the red pixel color value, blue is the blue pixel color value, and HSV is the hue saturation value of the pixel) and considered thin cloud if it passes two or three parameters. Fig. 1b shows the daily analysis of cloud occurrence. Cloud occurrence here is quantified as the ratio of the pixels with cloud to the total number of pixels in the data image. The average cloud cover for the days included in this dataset is 87%. These measurements show a big contrast when compared to cloud cover over land (Manila Observatory) which is usually around 67%. During the duration of the cruise, only one day (September 6) has an average cloud occurrence below 50%; the rest of the days have

  20. PREFACE: The 2nd International Conference on Geological, Geographical, Aerospace and Earth Sciences 2014 (AeroEarth 2014)

    NASA Astrophysics Data System (ADS)

    Lumban Gaol, Ford; Soewito, Benfano

    2015-01-01

    The 2nd International Conference on Geological, Geographical, Aerospace and Earth Sciences 2014 (AeroEarth 2014), was held at Discovery Kartika Plaza Hotel, Kuta, Bali, Indonesia during 11 - 12 October 2014. The AeroEarth 2014 conference aims to bring together researchers and engineers from around the world. Through research and development, earth scientists have the power to preserve the planet's different resource domains by providing expert opinion and information about the forces which make life possible on Earth. Earth provides resources and the exact conditions to make life possible. However, with the advent of technology and industrialization, the Earth's resources are being pushed to the brink of depletion. Non-sustainable industrial practices are not only endangering the supply of the Earth's natural resources, but are also putting burden on life itself by bringing about pollution and climate change. A major role of earth science scholars is to examine the delicate balance between the Earth's resources and the growing demands of industrialization. Through research and development, earth scientists have the power to preserve the planet's different resource domains by providing expert opinion and information about the forces which make life possible on Earth. We would like to express our sincere gratitude to all in the Technical Program Committee who have reviewed the papers and developed a very interesting Conference Program as well as the invited and plenary speakers. This year, we received 98 papers and after rigorous review, 17 papers were accepted. The participants come from eight countries. There are four Parallel Sessions and two invited Speakers. It is an honour to present this volume of IOP Conference Series: Earth and Environmental Science (EES) and we deeply thank the authors for their enthusiastic and high-grade contributions. Finally, we would like to thank the conference chairmen, the members of the steering committee, the organizing committee

  1. Anomaly-free cosmological perturbations in effective canonical quantum gravity

    SciTech Connect

    Barrau, Aurelien; Calcagni, Gianluca; Grain, Julien E-mail: bojowald@gravity.psu.edu E-mail: julien.grain@ias.u-psud.fr

    2015-05-01

    This article lays out a complete framework for an effective theory of cosmological perturbations with corrections from canonical quantum gravity. Since several examples exist for quantum-gravity effects that change the structure of space-time, the classical perturbative treatment must be rethought carefully. The present discussion provides a unified picture of several previous works, together with new treatments of higher-order perturbations and the specification of initial states.

  2. Quark Matter Equation of State from Perturbative QCD

    NASA Astrophysics Data System (ADS)

    Vuorinen, Aleksi

    2017-03-01

    In this proceedings contribution, we discuss recent developments in the perturbative determination of the Equation of State of dense quark matter, relevant for the microscopic description of neutron star cores. First, we introduce the current state of the art in the problem, both at zero and small temperatures, and then present results from two recent perturbative studies that pave the way towards extending the EoS to higher orders in perturbation theory.

  3. Equation-of-motion coupled cluster perturbation theory revisited.

    PubMed

    Eriksen, Janus J; Jørgensen, Poul; Olsen, Jeppe; Gauss, Jürgen

    2014-05-07

    The equation-of-motion coupled cluster (EOM-CC) framework has been used for deriving a novel series of perturbative corrections to the coupled cluster singles and doubles energy that formally converges towards the full configuration interaction energy limit. The series is based on a Møller-Plesset partitioning of the Hamiltonian and thus size extensive at any order in the perturbation, thereby remedying the major deficiency inherent to previous perturbation series based on the EOM-CC ansatz.

  4. Aharonov-Bohm Effect in Perturbation Theory.

    ERIC Educational Resources Information Center

    Purcell, Kay M.; Henneberger, Walter C.

    1978-01-01

    The Aharonov-Bohn effect is obtained in first-order perturbation theory. It is shown that the effect occurs only when the initial state is a superposition of eigenstates of Lz corresponding to eigenvalues having opposite sign. (Author/GA)

  5. Amplitudes of Spiral Perturbations

    NASA Astrophysics Data System (ADS)

    Grosbol, P.; Patsis, P. A.

    2014-03-01

    It has proven very difficult to estimate the amplitudes of spiral perturbations in disk galaxies from observations due to the variation of mass-to-light ratio and extinction across spiral arms. Deep, near-infrared images of grand-design spiral galaxies obtained with HAWK-I/VLT were used to analyze the azimuthal amplitude and shape of arms, which, even in the K-band may, be significantly biased by the presence of young stellar populations. Several techniques were applied to evaluate the relative importance of young stars across the arms, such as surface brightness of the disk with light from clusters subtracted, number density of clusters detected, and texture of the disk. The modulation of the texture measurement, which correlates with the number density of faint clusters, yields amplitudes of the spiral perturbation in the range 0.1-0.2. This estimate gives a better estimate of the mass perturbation in the spiral arms, since it is dominated by old clusters.

  6. MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers.

    PubMed

    Katouda, Michio; Nakajima, Takahito

    2017-03-30

    A massively parallel algorithm of the analytical energy gradient calculations based the resolution of identity Møller-Plesset perturbation (RI-MP2) method from the restricted Hartree-Fock reference is presented for geometry optimization calculations and one-electron property calculations of large molecules. This algorithm is designed for massively parallel computation on multicore supercomputers applying the Message Passing Interface (MPI) and Open Multi-Processing (OpenMP) hybrid parallel programming model. In this algorithm, the two-dimensional hierarchical MP2 parallelization scheme is applied using a huge number of MPI processes (more than 1000 MPI processes) for acceleration of the computationally demanding O(N(5) ) step such as calculations of occupied-occupied and virtual-virtual blocks of MP2 one-particle density matrix and MP2 two-particle density matrices. The new parallel algorithm performance is assessed using test calculations of several large molecules such as buckycatcher C60 @C60 H28 (144 atoms, 1820 atomic orbitals (AOs) for def2-SVP basis set, and 3888 AOs for def2-TZVP), nanographene dimer (C96 H24 )2 (240 atoms, 2928 AOs for def2-SVP, and 6432 AOs for cc-pVTZ), and trp-cage protein 1L2Y (304 atoms and 2906 AOs for def2-SVP) using up to 32,768 nodes and 262,144 central processing unit (CPU) cores of the K computer. The results of geometry optimization calculations of trp-cage protein 1L2Y at the RI-MP2/def2-SVP level using the 3072 nodes and 24,576 cores of the K computer are presented and discussed to assess the efficiency of the proposed algorithm. © 2017 Wiley Periodicals, Inc.

  7. Fitting of Hadron Mass Spectra and Contributions to Perturbation Theory of Conformal Quantum Field Theory

    NASA Astrophysics Data System (ADS)

    Luna Acosta, German Aurelio

    The masses of observed hadrons are fitted according to the kinematic predictions of Conformal Relativity. The hypothesis gives a remarkably good fit. The isospin SU(2) gauge invariant Lagrangian L(,(pi)NN)(x,(lamda)) is used in the calculation of d(sigma)/d(OMEGA) to 2nd-order Feynman graphs for simplified models of (pi)N(--->)(pi)N. The resulting infinite mass sums over the nucleon (Conformal) families are done via the Generalized-Sommerfeld-Watson Transform Theorem. Even though the models are too simple to be realistic, they indicate that if (DELTA)-internal lines were to be included, 2nd-order Feynman graphs may reproduce the experimental data qualitatively. The energy -dependence of the propagator and couplings in Conformal QFT is different from that of ordinary QFT. Suggestions for further work are made in the areas of ultra-violet divergences and OPEC calculations.

  8. Perturbational analysis of plasmon decay in jellium

    NASA Astrophysics Data System (ADS)

    Bachlechner, Martina E.; Macke, Wilhelm; Miesenböck, Helga M.; Schinner, Andreas

    1991-02-01

    Plasmon damping in the three-dimensional homogeneous electron gas is investigated within second order perturbation theory for the density-density response function. The equivalence of several existing approaches that take into account lowest order two-pair excitations is shown explicitly. Finally, a complete Monte-Carlo analysis of the multi-dimensional integrals for the dielectric function is made for arbitrary densities.

  9. Non-perturbative effects of primordial curvature perturbations on the apparent value of a cosmological constant

    NASA Astrophysics Data System (ADS)

    Enea Romano, Antonio; Sanes Negrete, Sergio; Sasaki, Misao; Starobinsky, Alexei A.

    2014-06-01

    We study effects on the luminosity distance of a local inhomogeneity seeded by primordial curvature perturbations of the type predicted by the inflationary scenario and constrained by the cosmic microwave background radiation. We find that a local underdensity originated from a one, two or three standard deviations peaks of the primordial curvature perturbations field can induce corrections to the value of a cosmological constant of the order of 0.6{%},1{%},1.5{%} , respectively. These effects cannot be neglected in the precision cosmology era in which we are entering. Our results can be considered an upper bound for the effect of the monopole component of the local non-linear structure which can arise from primordial curvature perturbations and requires a fully non-perturbative relativistic treatment.

  10. Non-gravitational perturbations and satellite geodesy

    SciTech Connect

    Milani, A.; Nobill, A.M.; Farinella, P.

    1987-01-01

    This book presents the basic ideas of the physics of non-gravitational perturbations and the mathematics required to compute their orbital effects. It conveys the relevance of the different problems that must be solved to achieve a given level of accuracy in orbit determination and in recovery of geophysically significant parameters. Selected Contents are: Orders of Magnitude of the Perturbing Forces, Tides and Apparent Forces, Tools from Celestial Mechanics, Solar Radiation Pressure-Direct Effects: Satellite-Solar Radiation Interaction, Long-Term Effects on Semi-Major Axis, Radiation Pressure-Indirect Effects: Earth-Reflected Radiation Pressure, Anisotropic Thermal Emission, Drag: Orbital Perturbations by a Drag-Like Force, and Charged Particle Drag.

  11. On the singular perturbations for fractional differential equation.

    PubMed

    Atangana, Abdon

    2014-01-01

    The goal of this paper is to examine the possible extension of the singular perturbation differential equation to the concept of fractional order derivative. To achieve this, we presented a review of the concept of fractional calculus. We make use of the Laplace transform operator to derive exact solution of singular perturbation fractional linear differential equations. We make use of the methodology of three analytical methods to present exact and approximate solution of the singular perturbation fractional, nonlinear, nonhomogeneous differential equation. These methods are including the regular perturbation method, the new development of the variational iteration method, and the homotopy decomposition method.

  12. Assessment of Orbital-Optimized Third-Order Møller-Plesset Perturbation Theory and Its Spin-Component and Spin-Opposite Scaled Variants for Thermochemistry and Kinetics.

    PubMed

    Soydaş, Emine; Bozkaya, Uğur

    2013-03-12

    An assessment of the OMP3 method and its spin-component and spin-scaled variants for thermochemistry and kinetics is presented. For reaction energies of closed-shell systems, the CCSD, SCS-MP3, and SCS-OMP3 methods show better performances than other considered methods, and no significant improvement is observed due to orbital optimization. For barrier heights, OMP3 and SCS-OMP3 provide the lowest mean absolute deviations. The MP3 method yields considerably higher errors, and the spin scaling approaches do not help to improve upon MP3, but worsen it. For radical stabilization energies, the CCSD, OMP3, and SCS-OMP3 methods exhibit noticeably better performances than MP3 and its variants. Our results demonstrate that if the reference wave function suffers from a spin-contamination, then the MP3 methods dramatically fail. On the other hand, the OMP3 method and its variants can tolerate the spin-contamination in the reference wave function. For overall evaluation, we conclude that OMP3 is quite helpful, especially in electronically challenged systems, such as free radicals or transition states where spin contamination dramatically deteriorates the quality of the canonical MP3 and SCS-MP3 methods. Both OMP3 and CCSD methods scale as n(6), where n is the number of basis functions. However, the OMP3 method generally converges in much fewer iterations than CCSD. In practice, OMP3 is several times faster than CCSD in energy computations. Further, the stationary properties of OMP3 make it much more favorable than CCSD in the evaluation of analytic derivatives. For OMP3, the analytic gradient computations are much less expensive than CCSD. For the frequency computation, both methods require the evaluation of the perturbed amplitudes and orbitals. However, in the OMP3 case there is still a significant computational time savings due to simplifications in the analytic Hessian expression owing to the stationary property of OMP3. Hence, the OMP3 method emerges as a very useful

  13. Orthogonal Higher Order Structure of the Wechsler Intelligence Scale for Children--Fourth Edition

    ERIC Educational Resources Information Center

    Watkins, Marley W.

    2006-01-01

    According to J. B. Carroll's (1993) 3-stratum theory, performance on any subtest reflects a mixture of both 2nd-order and 1st-order factors. To disentangle these influences, variance explained by the general factor should be extracted first. The 1st-order factors are then residualized, leaving them orthogonal to the general factor and each other.…

  14. Local perturbations perturb—exponentially–locally

    SciTech Connect

    De Roeck, W. Schütz, M.

    2015-06-15

    We elaborate on the principle that for gapped quantum spin systems with local interaction, “local perturbations [in the Hamiltonian] perturb locally [the groundstate].” This principle was established by Bachmann et al. [Commun. Math. Phys. 309, 835–871 (2012)], relying on the “spectral flow technique” or “quasi-adiabatic continuation” [M. B. Hastings, Phys. Rev. B 69, 104431 (2004)] to obtain locality estimates with sub-exponential decay in the distance to the spatial support of the perturbation. We use ideas of Hamza et al. [J. Math. Phys. 50, 095213 (2009)] to obtain similarly a transformation between gapped eigenvectors and their perturbations that is local with exponential decay. This allows to improve locality bounds on the effect of perturbations on the low lying states in certain gapped models with a unique “bulk ground state” or “topological quantum order.” We also give some estimate on the exponential decay of correlations in models with impurities where some relevant correlations decay faster than one would naively infer from the global gap of the system, as one also expects in disordered systems with a localized groundstate.

  15. Perturbations of the Robertson-Walker space

    NASA Astrophysics Data System (ADS)

    Hwang, Jai Chan

    This dissertation contains three parts consisting of thirteen chapters. Each chapter is self-contained, and can be read independently. In chapter 1, we have presented a complete set of cosmological perturbation equations using the covariant equations. We also present an explicit solution for the evolution of large scale cosmological density perturbations assuming a perfect fluid. In chapter 2, two independent gauge-invariant variables are derived which are continuous at any transition where there is a discontinuous change in pressure. In chapter 3, we present a Newtonian counterpart to the general relativistic covariant approach to cosmological perturbations. In chapter 4, we present a simple way of deriving cosmological perturbation equations in generalized gravity theories which accounts for metric perturbations in gauge-invariant way. We apply this approach to the f(phi,R)-omega(phi)phi, cphi;c Lagrangian. In chapter 5, we have derived second order differential equations for cosmological perturbations in a Robertson-Walker space, for each of the following gravity theories: f(R) gravity, generalized scalar-tensor gravity, gravity with non-minimally coupled scalar field, and induced gravity. Asymptotic solutions are derived for the large and small scale limits. In chapter 6, classical evolution of density perturbations in the large scale limit is clarified in the generalized gravity theories. In chapter 7, we apply our method to a theory with the Lagrangian L approximately f(R) + gamma RR;c;c. In chapter 8, T(M)ab;b equals 0 is shown in a general ground. In chapter 9, the origin of the Friedmann-like behavior of the perturbed model in the large scale limit is clarified in a comoving gauge. Thus, when the imperfect fluid contributions are negligible, the large scale perturbations in a nearly flat background evolve like separate Friedmann models. In chapter 10, we generalize the perturbation equations applicable to a class of generalized gravity theories with multi

  16. Four-loop screened perturbation theory

    NASA Astrophysics Data System (ADS)

    Andersen, Jens O.; Kyllingstad, Lars

    2008-10-01

    We study the thermodynamics of massless ϕ4-theory using screened perturbation theory. In this method, the perturbative expansion is reorganized by adding and subtracting a thermal mass term in the Lagrangian. We calculate the free energy through four loops expanding in a double power expansion in m/T and g2, where m is the thermal mass and g is the coupling constant. The expansion is truncated at order g7 and the loop expansion is shown to have better convergence properties than the weak-coupling expansion. The free energy at order g6 involves the four-loop triangle sum-integral evaluated by Gynther, Laine, Schröder, Torrero, and Vuorinen using the methods developed by Arnold and Zhai. The evaluation of the free energy at order g7 requires the evaluation of a nontrivial three-loop sum-integral, which we calculate by the same methods.

  17. Constraining compensated isocurvature perturbations using the CMB

    NASA Astrophysics Data System (ADS)

    Smith, Tristan L.; Rhiannon Smith, Kyle Yee, Julian Munoz, Daniel Grin

    2017-01-01

    Compensated isocurvature perturbations (CIPs) are variations in the cosmic baryon fraction which leave the total non-relativistic matter (and radiation) density unchanged. They are predicted by models of inflation which involve more than one scalar field, such as the curvaton scenario. At linear order, they leave the CMB two-point correlation function nearly unchanged: this is why existing constraints to CIPs are so much more permissive than constraints to typical isocurvature perturbations. Recent work articulated an efficient way to calculate the second order CIP effects on the CMB two-point correlation. We have implemented this method in order to explore constraints to the CIP amplitude using current Planck temperature and polarization data. In addition, we have computed the contribution of CIPs to the CMB lensing estimator which provides us with a novel method to use CMB data to place constraints on CIPs. We find that Planck data places a constraint to the CIP amplitude which is competitive with other methods.

  18. Characterization of the 1st and 2nd EF-hands of NADPH oxidase 5 by fluorescence, isothermal titration calorimetry, and circular dichroism

    PubMed Central

    2012-01-01

    Background Superoxide generated by non-phagocytic NADPH oxidases (NOXs) is of growing importance for physiology and pathobiology. The calcium binding domain (CaBD) of NOX5 contains four EF-hands, each binding one calcium ion. To better understand the metal binding properties of the 1st and 2nd EF-hands, we characterized the N-terminal half of CaBD (NCaBD) and its calcium-binding knockout mutants. Results The isothermal titration calorimetry measurement for NCaBD reveals that the calcium binding of two EF-hands are loosely associated with each other and can be treated as independent binding events. However, the Ca2+ binding studies on NCaBD(E31Q) and NCaBD(E63Q) showed their binding constants to be 6.5 × 105 and 5.0 × 102 M-1 with ΔHs of -14 and -4 kJ/mol, respectively, suggesting that intrinsic calcium binding for the 1st non-canonical EF-hand is largely enhanced by the binding of Ca2+ to the 2nd canonical EF-hand. The fluorescence quenching and CD spectra support a conformational change upon Ca2+ binding, which changes Trp residues toward a more non-polar and exposed environment and also increases its α-helix secondary structure content. All measurements exclude Mg2+-binding in NCaBD. Conclusions We demonstrated that the 1st non-canonical EF-hand of NOX5 has very weak Ca2+ binding affinity compared with the 2nd canonical EF-hand. Both EF-hands interact with each other in a cooperative manner to enhance their Ca2+ binding affinity. Our characterization reveals that the two EF-hands in the N-terminal NOX5 are Ca2+ specific. Graphical abstract PMID:22490336

  19. Staggered heavy baryon chiral perturbation theory

    SciTech Connect

    Bailey, Jon A.

    2008-03-01

    Although taste violations significantly affect the results of staggered calculations of pseudoscalar and heavy-light mesonic quantities, those entering staggered calculations of baryonic quantities have not been quantified. Here I develop staggered chiral perturbation theory in the light-quark baryon sector by mapping the Symanzik action into heavy baryon chiral perturbation theory. For 2+1 dynamical quark flavors, the masses of flavor-symmetric nucleons are calculated to third order in partially quenched and fully dynamical staggered chiral perturbation theory. To this order the expansion includes the leading chiral logarithms, which come from loops with virtual decuplet-like states, as well as terms of O(m{sub {pi}}{sup 3}), which come from loops with virtual octet-like states. Taste violations enter through the meson propagators in loops and tree-level terms of O(a{sup 2}). The pattern of taste symmetry breaking and the resulting degeneracies and mixings are discussed in detail. The resulting chiral forms are appropriate to lattice results obtained with operators already in use and could be used to study the restoration of taste symmetry in the continuum limit. I assume that the fourth root of the fermion determinant can be incorporated in staggered chiral perturbation theory using the replica method.

  20. The current status of research into Attention Deficit Hyperactivity Disorder: Proceedings of the 2nd International Congress on ADHD: From Childhood to Adult Disease.

    PubMed

    Thome, Johannes; Reddy, Duvvoor Prathap

    2009-12-01

    Despite being a devastating psychiatric condition with high prevalence, ADHD has traditionally been widely under-researched, specifically in adult patients. Therefore, the recent surge in scientific projects focusing on ADHD is impressive. By reviewing selected research findings presented at the 2nd International Congress on ADHD, this paper gives an overview about current state-of-the art research in such different areas as diagnosis, classification, epidemiology, differential diagnosis and comorbidity, neurobiology (including molecular genetics, proteomics, neuroimaging and electrophysiology), environmental factors, modelling of ADHD, treatment (pharmacological and non-pharmacological), as well as forensic and social aspects.

  1. A new model for realistic random perturbations of stochastic oscillators

    NASA Astrophysics Data System (ADS)

    Dieci, Luca; Li, Wuchen; Zhou, Haomin

    2016-08-01

    Classical theories predict that solutions of differential equations will leave any neighborhood of a stable limit cycle, if white noise is added to the system. In reality, many engineering systems modeled by second order differential equations, like the van der Pol oscillator, show incredible robustness against noise perturbations, and the perturbed trajectories remain in the neighborhood of a stable limit cycle for all times of practical interest. In this paper, we propose a new model of noise to bridge this apparent discrepancy between theory and practice. Restricting to perturbations from within this new class of noise, we consider stochastic perturbations of second order differential systems that -in the unperturbed case- admit asymptotically stable limit cycles. We show that the perturbed solutions are globally bounded and remain in a tubular neighborhood of the underlying deterministic periodic orbit. We also define stochastic Poincaré map(s), and further derive partial differential equations for the transition density function.

  2. A hybrid variational-perturbational nuclear motion algorithm

    NASA Astrophysics Data System (ADS)

    Fábri, Csaba; Furtenbacher, Tibor; Császár, Attila G.

    2014-09-01

    A hybrid variational-perturbational nuclear motion algorithm based on the perturbative treatment of the Coriolis coupling terms of the Eckart-Watson kinetic energy operator following a variational treatment of the rest of the operator is described. The algorithm has been implemented in the quantum chemical code DEWE. Performance of the hybrid treatment is assessed by comparing selected numerically exact variational vibration-only and rovibrational energy levels of the C2H4, C2D4, and CH4 molecules with their perturbatively corrected counterparts. For many of the rotational-vibrational states examined, numerical tests reveal excellent agreement between the variational and even the first-order perturbative energy levels, whilst the perturbative approach is able to reduce the computational cost of the matrix-vector product evaluations, needed by the iterative Lanczos eigensolver, by almost an order of magnitude.

  3. Perturbative thermodynamics at nonzero isospin density for cold QCD

    NASA Astrophysics Data System (ADS)

    Graf, Thorben; Schaffner-Bielich, Juergen; Fraga, Eduardo S.

    2016-04-01

    We use next-to-leading order in perturbation theory to investigate the effects of a finite isospin density on the thermodynamics of cold strongly interacting matter. Our results include nonzero quark masses and are compared to lattice data.

  4. Perturbative gravity in the causal approach

    NASA Astrophysics Data System (ADS)

    Grigore, D. R.

    2010-01-01

    Quantum theory of the gravitation in the causal approach is studied up to the second order of perturbation theory in the causal approach. We emphasize the use of cohomology methods in this framework. After describing in detail the mathematical structure of the cohomology method we apply it in three different situations: (a) the determination of the most general expression of the interaction Lagrangian; (b) the proof of gauge invariance in the second order of perturbation theory for the pure gravity system—massless and massive; (c) the investigation of the arbitrariness of the second-order chronological products compatible with renormalization principles and gauge invariance (i.e. the renormalization problem in the second order of perturbation theory). In case (a) we investigate pure gravity systems and the interaction of massless gravity with matter (described by scalars and spinors) and massless Yang-Mills fields. We obtain a difference with respect to the classical field theory due to the fact that in quantum field theory one cannot enforce the divergenceless property on the vector potential and this spoils the divergenceless property of the usual energy-momentum tensor. To correct this one needs a supplementary ghost term in the interaction Lagrangian. In all three case, the computations are more simple than by the usual methods.

  5. Carbon dioxide emissions and the overshoot ratio change resulting from the implementation of 2nd Energy Master Plan in South Korea

    NASA Astrophysics Data System (ADS)

    Yeo, M. J.; Kim, Y. P.

    2015-12-01

    The direction of the energy policies of the country is important in the projection of environmental impacts of the country. The greenhouse gases (GHGs) emission of the energy sector in South Korea is very huge, about 600 MtCO2e in 2011. Also the carbon footprint due to the energy consumption contributes to the ecological footprint is also large, more than 60%. Based on the official plans (the national greenhouse gases emission reduction target for 2030 (GHG target for 2030) and the 2nd Energy Master Plan (2nd EMP)), several scenarios were proposed and the sensitivity of the GHG emission amount and 'overshoot ratio' which is the ratio of ecological footprint to biocapacity were estimated. It was found that to meet the GHG target for 2030 the ratio of non-emission energy for power generation should be over 71% which would be very difficult. We also found that the overshoot ratio would increase from 5.9 in 2009 to 7.6 in 2035. Thus, additional efforts are required to reduce the environmental burdens in addition to optimize the power mix configuration. One example is the conversion efficiency in power generation. If the conversion efficiency in power generation rises up 50% from the current level, 40%, the energy demand and resultant carbon dioxide emissions would decrease about 10%. Also the influence on the environment through changes in consumption behavior, for example, the diet choice is expected to be meaningful.

  6. Management of osteoporosis in central and eastern Europe (CEE): conclusions of the "2nd Summit on Osteoporosis-CEE", 21-22 November 2008, Warsaw, Poland.

    PubMed

    Lorenc, Roman S; Resch, Heinrich

    2009-12-01

    In November 2008, the "2nd Summit on Osteoporosis-Central and Eastern Europe (CEE)" was held in Warsaw, Poland. Discussions at this meeting focused on the identification and discussion of diagnostic, preventive, and therapeutic measures used in CEE. Evaluated information was used to identify issues regarding diagnosis and therapy of osteoporosis in these countries to facilitate the subsequent setup of appropriate support and development strategies. The main debate was structured according to the following five subjects: (1) present status and future perspectives for implementation of FRAX(R) into local (CEE) diagnostic algorithms, (2) principles of drug selection in osteoporosis treatment in CEE countries, (3) nonpharmacological interventions in osteoporosis treatment and prophylaxis in CEE countries, (4) treatment benefit evaluation, and (5) cost-effectiveness and evaluation of reimbursement policies in CEE countries. The most important and substantial comments of the delegates are summarized in the present article. The multinational panel of experts with representatives from many CEE countries as well as Austria and Switzerland made the "2nd Summit on Osteoporosis-CEE" a perfect platform to identify issues and needs regarding diagnosis and therapy of osteoporosis as well as the cost-effectiveness of osteoporosis management in CEE countries. The information gained will serve as a basis for the development of strategies to resolve the identified issues at the "3rd Summit on Osteoporosis-CEE" in November 2009.

  7. Birth order effect on childhood food allergy.

    PubMed

    Kusunoki, Takashi; Mukaida, Kumiko; Morimoto, Takeshi; Sakuma, Mio; Yasumi, Takahiro; Nishikomori, Ryuta; Heike, Toshio

    2012-05-01

    Higher birth order is associated with a smaller risk of allergy (birth order effect). The purpose of this study was to compare the significance of the birth order effect on the prevalence of specific allergic diseases [bronchial asthma (BA), atopic dermatitis (AD), allergic rhinitis (AR), allergic conjunctivitis (AC), and food allergy (FA)] among schoolchildren. A questionnaire survey dealing with the prevalence of allergic diseases was administered to the parents of 14,669 schoolchildren aged 7-15 yr. Based on the data, the prevalence of each allergic disease was compared according to birth order (1st, 2nd, and 3rd or later). Multiple regression analysis was performed to test the significance of the differences. There was no significant difference in the prevalence of BA or AD according to birth order. The prevalence of AR, AC, and FA decreased significantly as birth order increased. The prevalence of FA among those with 1st, 2nd, and 3rd or later birth order was 4.0%, 3.4%, and 2.6%, respectively (p = 0.01). With respect to symptoms in infancy, the prevalence of wheeze increased significantly and that of FA and eczema in infancy decreased significantly as birth order increased. The present data show a significant birth order effect on FA. The effect was also observed for the prevalence of FA and eczema in infancy. These data support the concept of early, non-allergen-specific programming of IgE-mediated immunity.

  8. Random matter density perturbations and LMA

    NASA Astrophysics Data System (ADS)

    Reggiani, N.; Guzzo, M. M.; de Holanda, P. C.

    There are reasons to believe that mechanisms exist in the solar interior which lead to random density perturbations in the resonant region of the Large Mixing Angle solution to the solar neutrino problem. We find that, in the presence of these density perturbations, the best fit point in the (sin 2 2θ , Δ m2) parameter space moves to smaller values, compared with the values obtained for the standard LMA solution. Combining solar data with KamLAND results, we find a new compatibility region, which we call VERY-LOW LMA, where sin 2 2θ ~ 0.6 and Δm2 2× 10-5 eV2, for random density fluctuations of order 5% < ξ < 8%. We argue that such values of density fluctuations are still allowed by helioseismological observations at small scales of order 10 - 1000 km deep inside the solar core. PACS: 26.65 - 90.60J - 96.60.H

  9. Encuentro de Linguistica en el Noroeste (2nd, Hermosillo, Mexico, November 18-20, 1992). Memorias Tomos 1 y 2 (Conference on Linguistics in the Northwest [2nd, Hermosillo, Mexico, November 18-20, 1992]. Papers Volumes 1 and 2).

    ERIC Educational Resources Information Center

    Sonora Univ. (Mexico), Dept. of Letters and Linguistics.

    Papers in these volumes were presented at a Mexican conference on linguistics. Most papers are in Spanish; the English translations of the titles include the following: "Directions in Contemporary Semantics" (L. Lara); "Regular Accentuation in Spanish" (C. Braithwaite); "Syntactic Order in Sonoran" (D. Brown); "Speech Datives or Interest/Not of…

  10. Higher Order Cumulant Studies of Ocean Surface Random Fields from Satellite Altimeter Data

    NASA Technical Reports Server (NTRS)

    Cheng, B.

    1996-01-01

    Higher order statistics, especially 2nd order statistics, have been used to study ocean processes for many years in the past, and occupy an appreciable part of the research literature on physical oceanography. They in turn form part of a much larger field of study in statistical fluid mechanics.

  11. Moral Judgment and Its Relation to Second-Order Theory of Mind

    ERIC Educational Resources Information Center

    Fu, Genyue; Xiao, Wen S.; Killen, Melanie; Lee, Kang

    2014-01-01

    Recent research indicates that moral judgment and 1st-order theory of mind abilities are related. What is not known, however, is how 2nd-order theory of mind is related to moral judgment. In the present study, we extended previous findings by administering a morally relevant theory of mind task (an accidental transgressor) to 4- to 7-year-old…

  12. Degenerate R-S perturbation theory

    NASA Technical Reports Server (NTRS)

    Hirschfelder, J. O.; Certain, P. R.

    1973-01-01

    A concise, systematic procedure is given for determining the Rayleigh-Schrodinger energies and wave functions of degenerate states to arbitrarily high orders even when the degeneracies of the various states are resolved in arbitrary orders. The procedure is expressed in terms of an iterative cycle in which the energy through the (2n+1)st order is expressed in terms of the partially determined wave function through the n-th order. Both a direct and an operator derivation are given. The two approaches are equivalent and can be transcribed into each other. The direct approach deals with the wave functions (without the use of formal operators) and has the advantage that it resembles the usual treatment of nondegenerate perturbations and maintains close contact with the basic physics. In the operator approach, the wave functions are expressed in terms of infinite order operators which are determined by the successive resolution of the space of the zeroth order functions.

  13. What Perturbs the ggrdgr Rings of Uranus?

    PubMed

    French, R G; Kangas, J A; Elliot, J L

    1986-01-31

    The gamma and delta rings have by far the largest radial perturbations of any of the nine known Uranian rings. These two rings deviate from Keplerian orbits, having typical root-mean-square residuals of about 3 kilometers (compared to a few hundred meters for the other seven known rings). Possible causes for the perturbations include nearby shepherd satellites and Lindblad resonances. If shepherd satellites are responsible, they could be as large as several tens of kilometers in diameter. The perturbation patterns of the gamma and delta rings have been examined for evidence of Lindblad resonances of azimuthal wave number m = 0, 1, 2, 3, and 4. The beta ring radial residuals are well matched by a 2:1 Lindblad resonance. If this represents a real physical phenomenon and is not an artifact of undersampling, then the most plausible interpretation is that there is an undiscovered satellite orbiting 76,522 +/- 8 kilometers from Uranus, with an orbital period of 15.3595 +/- 0.0001 hours and a radius of 75 to 100 kilometers. Such a satellite would be easily detected by the Voyager spacecraft when it encounters Uranus. The 2:1 resonance location is 41 +/- 9 kilometers inside the delta ring, which makes it unlikely that the resonance is due to a viscous instability within the ring. In contrast, no low-order Lindblad resonance matches the gamma ring perturbations, which are probably caused by one or more shepherd satellites large enough to be clearly visible in Voyager images.

  14. Privacy Is Become with, Data Perturbation

    NASA Astrophysics Data System (ADS)

    Singh, Er. Niranjan; Singhai, Niky

    2011-06-01

    Privacy is becoming an increasingly important issue in many data mining applications that deal with health care, security, finance, behavior and other types of sensitive data. Is particularly becoming important in counterterrorism and homeland security-related applications. We touch upon several techniques of masking the data, namely random distortion, including the uniform and Gaussian noise, applied to the data in order to protect it. These perturbation schemes are equivalent to additive perturbation after the logarithmic Transformation. Due to the large volume of research in deriving private information from the additive noise perturbed data, the security of these perturbation schemes is questionable Many artificial intelligence and statistical methods exist for data analysis interpretation, Identifying and measuring the interestingness of patterns and rules discovered, or to be discovered is essential for the evaluation of the mined knowledge and the KDD process as a whole. While some concrete measurements exist, assessing the interestingness of discovered knowledge is still an important research issue. As the tool for the algorithm implementations we chose the language of choice in industrial world MATLAB.

  15. Using Lagrangian perturbation theory for precision cosmology

    SciTech Connect

    Sugiyama, Naonori S.

    2014-06-10

    We explore the Lagrangian perturbation theory (LPT) at one-loop order with Gaussian initial conditions. We present an expansion method to approximately compute the power spectrum LPT. Our approximate solution has good convergence in the series expansion and enables us to compute the power spectrum in LPT accurately and quickly. Non-linear corrections in this theory naturally satisfy the law of conservation of mass because the relation between matter density and the displacement vector of dark matter corresponds to the conservation of mass. By matching the one-loop solution in LPT to the two-loop solution in standard perturbation theory, we present an approximate solution of the power spectrum which has higher order corrections than the two-loop order in standard perturbation theory with the conservation of mass satisfied. With this approximation, we can use LPT to compute a non-linear power spectrum without any free parameters, and this solution agrees with numerical simulations at k = 0.2 h Mpc{sup –1} and z = 0.35 to better than 2%.

  16. Convergence of coupled cluster perturbation theory

    NASA Astrophysics Data System (ADS)

    Eriksen, Janus J.; Kristensen, Kasper; Matthews, Devin A.; Jørgensen, Poul; Olsen, Jeppe

    2016-12-01

    The convergence of a recently proposed coupled cluster (CC) family of perturbation series [J. J. Eriksen et al., J. Chem. Phys. 140, 064108 (2014)], in which the energetic difference between two CC models—a low-level parent and a high-level target model—is expanded in orders of the Møller-Plesset (MP) fluctuation potential, is investigated for four prototypical closed-shell systems (Ne, singlet CH2, distorted HF, and F-) in standard and augmented basis sets. In these investigations, energy corrections of the various series have been calculated to high orders and their convergence radii have been determined by probing for possible front- and back-door intruder states, the existence of which would make the series divergent. In summary, we conclude how it is primarily the choice of the target state, and not the choice of the parent state, which ultimately governs the convergence behavior of a given series. For example, restricting the target state to, say, triple or quadruple excitations might remove intruders present in series which target the full configuration interaction limit, such as the standard MP series. Furthermore, we find that whereas a CC perturbation series might converge within standard correlation consistent basis sets, it may start to diverge whenever these become augmented by diffuse functions, similar to the MP case. However, unlike for the MP case, such potential divergences are not found to invalidate the practical use of the low-order corrections of the CC perturbation series.

  17. Gradient expansion of superhorizon perturbations in G-inflation

    SciTech Connect

    Frusciante, Noemi; Zhou, Shuang-Yong; Sotiriou, Thomas P. E-mail: szhou@sissa.it

    2013-07-01

    We develop the gradient expansion formalism for shift-symmetric Galileon-type actions. We focus on backgrounds that undergo inflation, work in the synchronous gauge, and obtain a general solution up to second order without imposing extra conditions at first order. The solution simplifies during the late stages of inflation. We also define a curvature perturbation conserved up to first order.

  18. BOOK REVIEW: The Quantum Mechanics Solver: How to Apply Quantum Theory to Modern Physics, 2nd edition

    NASA Astrophysics Data System (ADS)

    Robbin, J. M.

    2007-07-01

    he hallmark of a good book of problems is that it allows you to become acquainted with an unfamiliar topic quickly and efficiently. The Quantum Mechanics Solver fits this description admirably. The book contains 27 problems based mainly on recent experimental developments, including neutrino oscillations, tests of Bell's inequality, Bose Einstein condensates, and laser cooling and trapping of atoms, to name a few. Unlike many collections, in which problems are designed around a particular mathematical method, here each problem is devoted to a small group of phenomena or experiments. Most problems contain experimental data from the literature, and readers are asked to estimate parameters from the data, or compare theory to experiment, or both. Standard techniques (e.g., degenerate perturbation theory, addition of angular momentum, asymptotics of special functions) are introduced only as they are needed. The style is closer to a non-specialist seminar rather than an undergraduate lecture. The physical models are kept simple; the emphasis is on cultivating conceptual and qualitative understanding (although in many of the problems, the simple models fit the data quite well). Some less familiar theoretical techniques are introduced, e.g. a variational method for lower (not upper) bounds on ground-state energies for many-body systems with two-body interactions, which is then used to derive a surprisingly accurate relation between baryon and meson masses. The exposition is succinct but clear; the solutions can be read as worked examples if you don't want to do the problems yourself. Many problems have additional discussion on limitations and extensions of the theory, or further applications outside physics (e.g., the accuracy of GPS positioning in connection with atomic clocks; proton and ion tumor therapies in connection with the Bethe Bloch formula for charged particles in solids). The problems use mainly non-relativistic quantum mechanics and are organised into three

  19. Perturbative theory for Brownian vortexes

    NASA Astrophysics Data System (ADS)

    Moyses, Henrique W.; Bauer, Ross O.; Grosberg, Alexander Y.; Grier, David G.

    2015-06-01

    Brownian vortexes are stochastic machines that use static nonconservative force fields to bias random thermal fluctuations into steadily circulating currents. The archetype for this class of systems is a colloidal sphere in an optical tweezer. Trapped near the focus of a strongly converging beam of light, the particle is displaced by random thermal kicks into the nonconservative part of the optical force field arising from radiation pressure, which then biases its diffusion. Assuming the particle remains localized within the trap, its time-averaged trajectory traces out a toroidal vortex. Unlike trivial Brownian vortexes, such as the biased Brownian pendulum, which circulate preferentially in the direction of the bias, the general Brownian vortex can change direction and even topology in response to temperature changes. Here we introduce a theory based on a perturbative expansion of the Fokker-Planck equation for weak nonconservative driving. The first-order solution takes the form of a modified Boltzmann relation and accounts for the rich phenomenology observed in experiments on micrometer-scale colloidal spheres in optical tweezers.

  20. Perturbative theory for Brownian vortexes.

    PubMed

    Moyses, Henrique W; Bauer, Ross O; Grosberg, Alexander Y; Grier, David G

    2015-06-01

    Brownian vortexes are stochastic machines that use static nonconservative force fields to bias random thermal fluctuations into steadily circulating currents. The archetype for this class of systems is a colloidal sphere in an optical tweezer. Trapped near the focus of a strongly converging beam of light, the particle is displaced by random thermal kicks into the nonconservative part of the optical force field arising from radiation pressure, which then biases its diffusion. Assuming the particle remains localized within the trap, its time-averaged trajectory traces out a toroidal vortex. Unlike trivial Brownian vortexes, such as the biased Brownian pendulum, which circulate preferentially in the direction of the bias, the general Brownian vortex can change direction and even topology in response to temperature changes. Here we introduce a theory based on a perturbative expansion of the Fokker-Planck equation for weak nonconservative driving. The first-order solution takes the form of a modified Boltzmann relation and accounts for the rich phenomenology observed in experiments on micrometer-scale colloidal spheres in optical tweezers.

  1. PREFACE: 2nd Russia-Japan-USA Symposium on the Fundamental and Applied Problems of Terahertz Devices and Technologies (RJUS TeraTech - 2013)

    NASA Astrophysics Data System (ADS)

    Karasik, Valeriy; Ryzhii, Viktor; Yurchenko, Stanislav

    2014-03-01

    The 2nd Russia-Japan-USA Symposium 'The Fundamental & Applied Problems of Terahertz Devices & Technologies' (RJUS TeraTech - 2013) Bauman Moscow State Technical University Moscow, Russia, 3-6 June, 2013 The 2nd Russia-Japan-USA Symposium 'The Fundamental & Applied Problems of Terahertz Devices & Technologies' (RJUS TeraTech - 2013) was held in Bauman Moscow State Technical University on 3-6 June 2013 and was devoted to modern problems of terahertz optical technologies. RJUS TeraTech 2013 was organized by Bauman Moscow State Technical University in cooperation with Tohoku University (Sendai, Japan) and University of Buffalo (The State University of New York, USA). The Symposium was supported by Bauman Moscow State Technical University (Moscow, Russia) and Russian Foundation for Basic Research (grant number 13-08-06100-g). RJUS TeraTech - 2013 became a foundation for sharing and discussing modern and promising achievements in fundamental and applied problems of terahertz optical technologies, devices based on grapheme and grapheme strictures, condensed matter of different nature. Among participants of RJUS TeraTech - 2013, there were more than 100 researchers and students from different countries. This volume contains proceedings of the 2nd Russia-Japan-USA Symposium 'The Fundamental & Applied Problems of Terahertz Devices & Technologies'. Valeriy Karasik, Viktor Ryzhii and Stanislav Yurchenko Bauman Moscow State Technical University Symposium chair Anatoliy A Aleksandrov, Rector of BMSTU Symposium co-chair Valeriy E Karasik, Head of the Research and Educational Center 'PHOTONICS AND INFRARED TECHNOLOGY' (Russia) Invited Speakers Taiichi Otsuji, Research Institute of Electrical Communication, Tohoku University, Sendai, Japan Akira Satou, Research Institute of Electrical Communication, Tohoku University, Sendai, Japan Michael Shur, Electrical, Computer and System Engineering and Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, NY, USA Natasha

  2. More many-body perturbation theory for an electron-ion system

    SciTech Connect

    Baker, G.A. Jr.; Johnson, J.D.

    1997-10-01

    From previous finite-temperature, quantum, many-body perturbation theory results for the grand partition function of an electron-ion fluid through order {epsilon}{sup 4}, we compute the electron and ion fugacities in terms of the volume per ion and the temperature to that same order in perturbation theory. From these results we also give the pressure, again to the same order in perturbation theory about the values for the non-interacting fluid.

  3. Gravitational Radiation from Binary Black Holes: Advances in the Perturbative Approach

    NASA Astrophysics Data System (ADS)

    Lousto, C. O.

    2005-08-01

    . Other sources of gravitational waves are the product of excitation of the supermassive black holes present in the core of most of the galaxies in the universe by surrounding stars; such a star will eventually get close enough - presumably through three-body encounters - for the gravitational radiation to play an important role in the further evolution of its orbit and eventually cause it to merge into its supermassive companion. As the mass ratios are expected to be of the order of 10-3 at most, our perturbative expansion represents a fantastic degree of accuracy, allowing detailed analysis of the sources by space-based detectors sensitive to sub-Hertz frequencies, such as LISA - a joint mission of NASA and ESA that plans to launch three spaceships in orbit around the sun during the next decade. The universe can offer us an even more energetic event: when two galaxies collide, the merger of their central supermassive black holes will produce the largest burst of gravitational radiation in the universe. Presumably the mass ratio in this case will be in the range of 1 to 10-3, hence the extreme usefulness of the second-order approach. Let us return to 1997. After decades of being an open problem, the formulae for the self-force were finally available and, it seemed, ready to be applied in specific computations. This inspired a group of young researchers to meet and study in detail the papers containing the solution to the self-force problem. A ranch donated to Caltech by the movie director Frank Capra made the perfect retreat location, and so in 1998 the series of Capra meetings on radiation reaction was born in San Diego, California. Every year since then, the meeting has incorporated new people and become more formally organized. In 1999 the 2nd Capra meeting took place in Dublin, Ireland http://www.lsc-group.phys.uwm.edu/~patrick/ireland99/. In 2000 it returned to Caltech http://www.tapir.caltech.edu/capra3/, and in 2001 I had the opportunity to organize the 4th Capra

  4. Baryonic matter perturbations in decaying vacuum cosmology

    SciTech Connect

    Marttens, R.F. vom; Zimdahl, W.; Hipólito-Ricaldi, W.S. E-mail: wiliam.ricaldi@ufes.br

    2014-08-01

    We consider the perturbation dynamics for the cosmic baryon fluid and determine the corresponding power spectrum for a Λ(t)CDM model in which a cosmological term decays into dark matter linearly with the Hubble rate. The model is tested by a joint analysis of data from supernovae of type Ia (SNIa) (Constitution and Union 2.1), baryonic acoustic oscillations (BAO), the position of the first peak of the anisotropy spectrum of the cosmic microwave background (CMB) and large-scale-structure (LSS) data (SDSS DR7). While the homogeneous and isotropic background dynamics is only marginally influenced by the baryons, there are modifications on the perturbative level if a separately conserved baryon fluid is included. Considering the present baryon fraction as a free parameter, we reproduce the observed abundance of the order of 5% independently of the dark-matter abundance which is of the order of 32% for this model. Generally, the concordance between background and perturbation dynamics is improved if baryons are explicitly taken into account.

  5. Report from the 2nd Cardiovascular Outcome Trial (CVOT) Summit of the Diabetes and Cardiovascular Disease (D&CVD) EASD Study Group.

    PubMed

    Schnell, Oliver; Standl, Eberhard; Catrinoiu, Doina; Genovese, Stefano; Lalic, Nebojsa; Skra, Jan; Valensi, Paul; Rahelic, Dario; Ceriello, Antonio

    2017-03-11

    The 2nd Cardiovascular Outcome Trial (CVOT) Summit of the Diabetes and Cardiovascular Disease (D&CVD) EASD Study Group was held on the 20th-21st October 2016 in Munich. This second Summit was organized in light of recently published CVOTs on diabetes, with the aim of serving as a reference meeting for discussion on this topic. Along with presentations on the results of the most recently published CVOTs, panel discussions on trial implications for reimbursement and the perspective of cardiologists and/or nephrologists, as well as on CVOTs weaknesses and potentials constituted the heart of the program. Future activities of the D&CVD EASD Study Group in 2017 include an annual meeting in Milano and the 3rd CVOT Summit on Diabetes of the D&CVD EASD Study Group, in Munich ( http://www.dcvd.org ).

  6. Phase transition in tungsten-bronze Li2Pb2Nd2W2Ti4Nb4O30 ferroelectric

    NASA Astrophysics Data System (ADS)

    Parida, B. N.; Das, Piyush R.; Padhee, R.; Choudhary, R. N. P.

    2013-08-01

    The polycrystalline sample of Li2Pb2Nd2W2Ti4Nb4O30 was prepared by a solid-state reaction technique. Room temperature X-ray structural analysis confirms the formation of a single-phase compound. The morphology of the sintered sample recorded by scanning electron microscope exhibits a uniform grain distribution. Detailed studies of the nature of variation of dielectric constant, tangent loss, and polarization with temperature and frequency confirmed the existence of ferroelectricity in the material at room temperature. The temperature and frequency dependence of impedance parameters (impedance, modulus, etc.) of the material exhibits a strong correlation of its microstructure (i.e., bulk, grain boundary, etc.). Furthermore, the temperature dependence of DC conductivity shows a typical Arrhenius behavior of the material. The nature of variation of pyroelectric coefficient and current with temperature suggests that material has good pyroelectric properties useful for pyroelectric detector.

  7. Crystal structure of nonsuperconducting Pb 2(Sr 0.94Nd 0.06) 2(Nd 0.76Sr 0.24)Cu 3O 8

    NASA Astrophysics Data System (ADS)

    Hayri, Eric A.; Kvick, Åke

    1990-01-01

    The crystal structure of Pb 2(Sr 0.94Nd 0.06) 2(Nd 0.76Sr 0.24)Cu 3O 8 was determined by single crystal X-ray diffraction. The compound was found to be orthorhombic ( Cmmm) with a = 5.437(3), b = 5.472(2), c = 15.797(7)Å and Z = 2. In the structure double layers of CuO square pyramids are separated by (Nd, Sr) oxygen deficient layers which are stacked between (PbO)Cu(PbO) slabs. The oxygen in the Pb planes is shifted toward a pair of Pb atoms resulting in an orthorhombic distortion of the tetragonal unit cell. The possibilities for modulations and superlattices are discussed as is the role of the PbO planes in superconductivity.

  8. Wound healing and soft tissue effects of CO2, contact Nd: YAG and combined CO2-Nd: YAG laser beams on rabbit trachea.

    PubMed

    Laranne, J; Lagerstedt, A; Pukander, J; Rantala, I

    1997-11-01

    Rabbit trachea was used as an experimental model to study tissue effects and healing of full-thickness tracheal lesions produced by CO2, contact Nd: YAG and combined, coaxial CO2-Nd: YAG (Combo) laser beams. Two power settings (10 W and 16 W) were used with CO2 and contact Nd: YAG lasers. Three different CO2/Nd:YAG power ratios (1:1, 1:2 and 1:4) and power settings (12 W 15 W and 16 W) were used with the Combolaser. Histological specimens for light and transmission electron microscopy were prepared immediately and 1, 3, 5, 7, 14 and 21 days postoperatively. The wound with the most precise and fastest healing was produced by contact Nd: YAG laser. CO2 laser produced a moderate amount of charring and the largest amount of coagulated tissue with a slightly prolonged healing period. In the acute phase, tissue defects produced by the Combolaser with power ratios 1:1 and 1:2 resembled the CO2 laser lesions but with slightly less charring. The power ratio 1:4 diminished the cutting properties of the beam considerably. During the healing period the Combolaser produced the most intensive inflammation and granulation tissue formation resulting in delayed regeneration of the lesion. In transmission electron micrographs the most severe damage to chondrocytes was seen after using the Combolaser. These findings indicate that the Combolaser produces deeper tissue damage than CO2 or contact Nd:YAG laser. However, the Combolaser appears to be suitable for tracheobronchial operations, owing to its good simultaneous cutting and haemostatic properties.

  9. The influence of Nd3+ in CaAl2O4:Eu2+,Nd3+ phosphor fabricated by combustion synthesis

    NASA Astrophysics Data System (ADS)

    Yang, Zhiping; Yang, Yong; Li, Xingmin; Li, Xu; Liu, Chong; Feng, Jianwei

    2005-01-01

    Eu2+, Nd3+ co-doped calcium aluminate (CaAl2O4) phosphor with high brightness and long afterglow were fabricated by urea-nitrate solution combustion synthesis at 600°C. The phosphor powder of combustion synthesis were generally more homogeneous and had fewer impurity than phosphor fabricated by conventional solid-state methods, the character could conduce to obtain more exact data. The excitation and emission spectrum indicated that there waxs only one luminescence center Eu2+, both of the characteristic spectrums of Eu3+ and Nd3+ weren't discovered. As a secondary activator, Nd3+ could make remarkable influence on the afterglow of phosphor. From altering the moral ratio of Eu2+ and Nd3+, the lasting time of afterglow and thermoluminescence were studied respectively, when Nd3+ wasn't appended, the intensity of initial brightness could compared with other materials which had different ratio of Eu2+ and Nd3+, however the brightness of afterglow decayed rapidly, the lasting time and brightness of afterglow were improved with reduce the radio of Eu2+ and Nd3+, while the ratio achieved some value, the lasting time of afterglow become shorten with the reduce of ratio of Eu2+ and Nd3+. Moreover the depth of trap was calculated from the parameter of thermoluminescence. However, the emission spectrum and XRD patterns didn't change obviously with the altering ratio of Eu2+ and Nd3+. It showed that the little amount of doped rear earth ions (Eu2+ and Nd3+) had almost no effect on the CaAl2O4 phase composition. Based on these conclusions, the model of the luminescence process of CaAl2O4:Eu2+, Nd3+ was built.

  10. Secular perturbations of the Uranian satellites - Theory and practice

    NASA Astrophysics Data System (ADS)

    Malhotra, R.; Fox, K.; Murray, C. D.; Nicholson, P. D.

    1989-09-01

    A simple revised secular perturbation theory which incorporates the averaged secular effect of first-order near-resonances is derived. By including the effects of these near-resonances, the largest error in the secular frequencies is reduced from 16 percent to less than 3 percent. It is concluded that the revised secular perturbation theory is adequate for the quantitative modeling of the long-term perturbations in the Uranian satellite system. If incorporated within the general theory of Laskar (1986), this theory would lead to completely analytic theory.

  11. Research at the CEA in the field of safety in 2nd and 3rd generation light water reactors

    NASA Astrophysics Data System (ADS)

    Billot, Philippe

    2012-05-01

    The research programs at the CEA in the field of safety in nuclear reactors are carried out in a framework of international partnerships. Their purpose is to develop studies on: The methods allowing for the determination of earthquake hazards and their consequences; The behaviour of fuel in an accident situation; The comprehension of deflagration and detonation phenomena of hydrogen and the search for effective prevention methods involving an explosion risk; The cooling of corium in order to stop its progression in and outside the vessel thereby reducing the risk of perforating the basemat; The behaviour of the different fission product families according to their volatility for the UO2 and MOX fuels.

  12. Perturbations of nested branes with induced gravity

    SciTech Connect

    Sbisà, Fulvio; Koyama, Kazuya E-mail: kazuya.koyama@port.ac.uk

    2014-06-01

    We study the behaviour of weak gravitational fields in models where a 4D brane is embedded inside a 5D brane equipped with induced gravity, which in turn is embedded in a 6D spacetime. We consider a specific regularization of the branes internal structures where the 5D brane can be considered thin with respect to the 4D one. We find exact solutions corresponding to pure tension source configurations on the thick 4D brane, and study perturbations at first order around these background solutions. To perform the perturbative analysis, we adopt a bulk-based approach and we express the equations in terms of gauge invariant and master variables using a 4D scalar-vector-tensor decomposition. We then propose an ansatz on the behaviour of the perturbation fields when the thickness of the 4D brane goes to zero, which corresponds to configurations where gravity remains finite everywhere in the thin limit of the 4D brane. We study the equations of motion using this ansatz, and show that they give rise to a consistent set of differential equations in the thin limit, from which the details of the internal structure of the 4D brane disappear. We conclude that the thin limit of the ''ribbon'' 4D brane inside the (already thin) 5D brane is well defined (at least when considering first order perturbations around pure tension configurations), and that the gravitational field on the 4D brane remains finite in the thin limit. We comment on the crucial role of the induced gravity term on the 5D brane.

  13. Communication: Electronic UV-Vis transient spectra of the ∙OH reaction products of uracil, thymine, cytosine, and 5,6-dihydrouracil by using the complete active space self-consistent field second-order perturbation (CASPT2//CASSCF) theory.

    PubMed

    Francés-Monerris, Antonio; Merchán, Manuela; Roca-Sanjuán, Daniel

    2013-08-21

    Addition of ∙OH radicals to pyrimidine nucleobases is a common reaction in DNA/RNA damage by reactive oxygen species. Among several experimental techniques, transient absorption spectroscopy has been during the last decades used to characterize such compounds. Discrepancies have however appeared in the assignment of the adduct or adducts responsible for the reported transient absorption UV-Vis spectra. In order to get an accurate assignment of the transient spectra and a unified description of the absorption properties of the ∙OH reaction products of pyrimidines, a systematic complete active space self-consistent field second-order perturbation (CASPT2//CASSCF) theory study has been carried out on the uracil, thymine, and cytosine ∙OH addition adducts, as well as on the 5,6-dihydrouracil hydrogen abstraction products. With the obtained findings, the C5OH contributions to the lowest-energy band can be finally discarded. Instead, a bright (2)(π2) state of the C6OH adducts is determined to be the main responsible in all compounds for the absorption band in the Vis range.

  14. Linear perturbations of a Schwarzschild blackhole by thin disc - convergence

    NASA Astrophysics Data System (ADS)

    Čížek, P.; Semerák, O.

    2012-07-01

    In order to find the perturbation of a Schwarzschild space-time due to a rotating thin disc, we try to adjust the method used by [4] in the case of perturbation by a one-dimensional ring. This involves solution of stationary axisymmetric Einstein's equations in terms of spherical-harmonic expansions whose convergence however turned out questionable in numerical examples. Here we show, analytically, that the series are almost everywhere convergent, but in some regions the convergence is not absolute.

  15. Inflationary perturbations in bimetric gravity

    SciTech Connect

    Cusin, Giulia; Durrer, Ruth; Guarato, Pietro; Motta, Mariele E-mail: ruth.durrer@unige.ch E-mail: mariele.motta@unige.ch

    2015-09-01

    In this paper we study the generation of primordial perturbations in a cosmological setting of bigravity during inflation. We consider a model of bigravity which can reproduce the ΛCDM background and large scale structure and a simple model of inflation with a single scalar field and a quadratic potential. Reheating is implemented with a toy-model in which the energy density of the inflaton is entirely dissipated into radiation. We present analytic and numerical results for the evolution of primordial perturbations in this cosmological setting. We find that the amplitude of tensor perturbations generated during inflation is sufficiently suppressed to avoid the effects of the tensor instability discovered in refs. [1,2] which develops during the cosmological evolution in the physical sector. We argue that from a pure analysis of the tensor perturbations this bigravity model is compatible with present observations. However, we derive rather stringent limits on inflation from the vector and scalar sectors.

  16. Robust stability under additive perturbations

    NASA Technical Reports Server (NTRS)

    Bhaya, A.; Desoer, C. A.

    1985-01-01

    A MIMO linear time-invariant feedback system 1S(P,C) is considered which is assumed to be U-stable. The plant P is subjected to an additive perturbation Delta P which is proper but not necessarily stable. It is proved that the perturbed system is U-stable if and only if Delta P(I + Q x Delta P) exp -1 is U-stable.

  17. Superacid Catalyzed Coal Conversion Chemistry. 1st and 2nd Quarterly Technical Progress Reports, September 1, 1983-March 30, 1984.

    DOE R&D Accomplishments Database

    Olah, G. A.

    1984-01-01

    In our laboratories we have previously developed a mild coal conversion process. This involves the use of a superacid system consisting of HF and BF{sub 3} in presence of hydrogen and/or a hydrogen donor solvent. In order to understand the chemistry involved in the process of depolymerization of coal by the HF:BF{sub 3}:H{sub 2} system we are carrying out a systematic study of a number of coal model compounds. The model compounds selected for present study have two benzene rings connected with various bridging units such as alkylidene, ether, sulfide etc. From studies so far carried out it appears that high pyridine extractibilities achieved by treating coal at temperature below 100 degrees C results from the cleavage of bridges such as present in bibenzyl, diphenyl methane, dibenzyl ether, dibenzyl sulfide etc. On the other hand the increased cyclohexane extractibility and distillability observed at relatively higher temperatures and hydrogen pressures reflects the hydrogenation and cleavage of the aromatic backbone in coal structure similar to what is seen in the conversion of model compounds such as biphenyl, diphenyl ether, diphenyl sulfide, anthracene, etc.

  18. Fluvial geoarchaeology in Avaris, the Hyksos capital in the Eastern Nile Delta (2nd Mill. B.C.)

    NASA Astrophysics Data System (ADS)

    Schmitt, Laurent; Goiran, Jean-Philippe; Tronchère, Hervé; Forstner-Muller, Irene

    2014-05-01

    Tell el-Dab'a, the ancient city of Avaris, is a key site for understanding the complex alluvial environment of the Nile delta in northern Egypt which is characterized by a palaeo-network of anastomosing branches. Avaris, the capital of the Hyksos kings, is located on the Pelusiac palaeo-branch, near the eastern margin of the delta. Avaris was an important harbour town from the late 12th Dynasty until the end of the Hyksos Period and then again in the Ramesside Period. For the first time, OSL, radiocarbon and archaeological datings have been combined on the fluvial archives. This database helps us to understand better the chrono-stratigraphy and the evolution of the palaeo-environments. Sedimentary analyses have been conducted on (i) the stratigraphy on the main harbour basin revealed by an excavation in spring 2013 (ii) the sediments that gradually silted in the pelusiac branch: coarse bedload at the bottom and sands to fine silts above. A complete bankfull cross section of the Pelusiac branch has been obtained. Thus, we get 3 important characteristics of the main branch: (1) the width, (2) the depth (3) and the palaeo-discharge has been computed. In order to get an idea of the palaeo-processes, C/M diagrams have been done thanks to the micro-granulometric data. By combining these results, a 5 millennium diachronic cartography of the evolution of the Pelusiac palaeo-branch near Avaris has been produced, providing new insights into the natural landscape evolution that may have accelerated the demise of the great city.

  19. Hamiltonian formalism for Perturbed Black Hole Spacetimes

    NASA Astrophysics Data System (ADS)

    Mihaylov, Deyan; Gair, Jonathan

    2017-01-01

    Present and future gravitational wave observations provide a new mechanism to probe the predictions of general relativity. Observations of extreme mass ratio inspirals with millihertz gravitational wave detectors such as LISA will provide exquisite constraints on the spacetime structure outside astrophysical black holes, enabling tests of the no-hair property that all general relativistic black holes are described by the Kerr metric. Previous work to understand what constraints LISA observations will be able to place has focussed on specific alternative theories of gravity, or generic deviations that preserve geodesic separability. We describe an alternative approach to this problem--a technique that employs canonical perturbations of the Hamiltonian function describing motion in the Kerr metric. We derive this new approach and demonstrate its application to the cases of a slowly rotating Kerr black hole which is viewed as a perturbation of a Schwarzschild black hole, of coupled perturbations of black holes in the second-order Chern-Simons modified gravity theory, and several more indicative scenarios. Deyan Mihaylov is funded by STFC.

  20. Quantum inflaton, primordial perturbations, and CMB fluctuations

    SciTech Connect

    Cao, F.J.; Vega, H.J. de; Sanchez, N.G.

    2004-10-15

    We compute the primordial scalar, vector and tensor metric perturbations arising from quantum field inflation. Quantum field inflation takes into account the nonperturbative quantum dynamics of the inflaton consistently coupled to the dynamics of the (classical) cosmological metric. For chaotic inflation, the quantum treatment avoids the unnatural requirements of an initial state with all the energy in the zero mode. For new inflation it allows a consistent treatment of the explosive particle production due to spinodal instabilities. Quantum field inflation (under conditions that are the quantum analog of slow-roll) leads, upon evolution, to the formation of a condensate starting a regime of effective classical inflation. We compute the primordial perturbations taking the dominant quantum effects into account. The results for the scalar, vector and tensor primordial perturbations are expressed in terms of the classical inflation results. For a N-component field in a O(N) symmetric model, adiabatic fluctuations dominate while isocurvature or entropy fluctuations are negligible. The results agree with the current Wilkinson Microwave Anisotropy Probe observations and predict corrections to the power spectrum in classical inflation. Such corrections are estimated to be of the order of (m{sup 2}/NH{sup 2}), where m is the inflaton mass and H the Hubble constant at the moment of horizon crossing. An upper estimate turns to be about 4% for the cosmologically relevant scales. This quantum field treatment of inflation provides the foundations to the classical inflation and permits to compute quantum corrections to it.

  1. Multifrequency perturbations in matter-wave interferometry

    NASA Astrophysics Data System (ADS)

    Günther, A.; Rembold, A.; Schütz, G.; Stibor, A.

    2015-11-01

    High-contrast matter-wave interferometry is essential in various fundamental quantum mechanical experiments as well as for technical applications. Thereby, contrast and sensitivity are typically reduced by decoherence and dephasing effects. While decoherence accounts for a general loss of quantum information in a system due to entanglement with the environment, dephasing is due to collective time-dependent external phase shifts, which can be related to temperature drifts, mechanical vibrations, and electromagnetic oscillations. In contrast to decoherence, dephasing can, in principle, be reversed. Here, we demonstrate in experiment and theory a method for the analysis and reduction of the influence of dephasing noise and perturbations consisting of several external frequencies in an electron interferometer. This technique uses the high spatial and temporal resolution of a delay-line detector to reveal and remove dephasing perturbations by second-order correlation analysis. It allows matter-wave experiments under perturbing laboratory conditions and can be applied, in principle, to electron, atom, ion, neutron, and molecule interferometers.

  2. Boundary Layer Instabilities Generated by Freestream Laser Perturbations

    NASA Technical Reports Server (NTRS)

    Chou, Amanda; Schneider, Steven P.

    2015-01-01

    A controlled, laser-generated, freestream perturbation was created in the freestream of the Boeing/AFOSR Mach-6 Quiet Tunnel (BAM6QT). The freestream perturbation convected downstream in the Mach-6 wind tunnel to interact with a flared cone model. The geometry of the flared cone is a body of revolution bounded by a circular arc with a 3-meter radius. Fourteen PCB 132A31 pressure transducers were used to measure a wave packet generated in the cone boundary layer by the freestream perturbation. This wave packet grew large and became nonlinear before experiencing natural transition in quiet flow. Breakdown of this wave packet occurred when the amplitude of the pressure fluctuations was approximately 10% of the surface pressure for a nominally sharp nosetip. The initial amplitude of the second mode instability on the blunt flared cone is estimated to be on the order of 10 -6 times the freestream static pressure. The freestream laser-generated perturbation was positioned upstream of the model in three different configurations: on the centerline, offset from the centerline by 1.5 mm, and offset from the centerline by 3.0 mm. When the perturbation was offset from the centerline of a blunt flared cone, a larger wave packet was generated on the side toward which the perturbation was offset. The offset perturbation did not show as much of an effect on the wave packet on a sharp flared cone as it did on a blunt flared cone.

  3. Development of a perturbation generator for vortex stability studies

    NASA Technical Reports Server (NTRS)

    Riester, J. E.; Ash, Robert L.

    1991-01-01

    Theory predicts vortex instability when subjected to certain types of disturbances. It was desired to build a device which could introduce controlled velocity perturbations into a trailing line vortex in order to study the effects on stability. A perturbation generator was designed and manufactured which can be attached to the centerbody of an airfoil type vortex generator. Details of design tests and manufacturing of the perturbation generator are presented. The device produced controlled perturbation with frequencies in excess of 250 Hz. Preliminary testing and evaluation of the perturbation generator performance was conducted in a 4 inch cylindrical pipe. Observations of vortex shedding frequencies from a centerbody were measured. Further evaluation with the perturbation generator attached to the vortex generator in a 2 x 3 foot wind tunnel were also conducted. Hot-wire anemometry was used to confirm the perturbation generator's ability to introduce controlled frequency fluctuations. Comparison of the energy levels of the disturbances in the vortex core was made between locations 42 chord lengths and 15 chord lengths downstream.

  4. Black hole perturbation theory in a light cone gauge

    NASA Astrophysics Data System (ADS)

    Preston, Brent

    The metric of a Schwarzschild black hole immersed in a uniform magnetic field is studied using black hole perturbation theory in a light crone coordinate system that penetrates the event horizon and possesses a clear geometrical meaning. The magnetic field, which is distorted due to the presence of the black hole, has strength B which is assumed to be small compared to the curvature of the spacetime which allows the perturbed metric to be calculated to order B 2 only. The coordinates allow for an easy identification of the event horizon and the properties of the perturbed black hole are studied. To interpret this perturbed metric, the advanced coordinates are decomposed into irreducible parts which yields the metric of a perturbed black hole in the limit r >> 2 M . Finally we compare our perturbed solution to an exact solution. We show that our perturbed solution is able to match the exact solution but has the freedom to describe a larger class of physically relevant solutions.

  5. High-order Spatio-temporal Schemes for Coupled, Multi-physics Reactor Simulations

    SciTech Connect

    Mr. Vijay S. Mahadevan; Dr. Jean C. Ragusa

    2008-09-01

    This report summarizes the work done in the summer of 08 by the Ph.D. student Vijay Mahadevan. The main focus of the work was to coupled 3-D neutron difusion to 3-D heat conduction in parallel with accuracy greater than or equal to 2nd order in space and time. Results show that the goal was attained.

  6. Membrane Perturbation Induced by Interfacially Adsorbed Peptides

    PubMed Central

    Zemel, Assaf; Ben-Shaul, Avinoam; May, Sylvio

    2004-01-01

    The structural and energetic characteristics of the interaction between interfacially adsorbed (partially inserted) α-helical, amphipathic peptides and the lipid bilayer substrate are studied using a molecular level theory of lipid chain packing in membranes. The peptides are modeled as “amphipathic cylinders” characterized by a well-defined polar angle. Assuming two-dimensional nematic order of the adsorbed peptides, the membrane perturbation free energy is evaluated using a cell-like model; the peptide axes are parallel to the membrane plane. The elastic and interfacial contributions to the perturbation free energy of the “peptide-dressed” membrane are evaluated as a function of: the peptide penetration depth into the bilayer's hydrophobic core, the membrane thickness, the polar angle, and the lipid/peptide ratio. The structural properties calculated include the shape and extent of the distorted (stretched and bent) lipid chains surrounding the adsorbed peptide, and their orientational (C-H) bond order parameter profiles. The changes in bond order parameters attendant upon peptide adsorption are in good agreement with magnetic resonance measurements. Also consistent with experiment, our model predicts that peptide adsorption results in membrane thinning. Our calculations reveal pronounced, membrane-mediated, attractive interactions between the adsorbed peptides, suggesting a possible mechanism for lateral aggregation of membrane-bound peptides. As a special case of interest, we have also investigated completely hydrophobic peptides, for which we find a strong energetic preference for the transmembrane (inserted) orientation over the horizontal (adsorbed) orientation. PMID:15189858

  7. Perturbative and non-perturbative aspects of the two-dimensional string/Yang-Mills correspondence

    NASA Astrophysics Data System (ADS)

    Lelli, Simone; Maggiore, Michele; Rissone, Anna

    2003-04-01

    It is known that YM 2 with gauge group SU( N) is equivalent to a string theory with coupling gs=1/ N, order by order in the 1/ N expansion. We show how this result can be obtained from the bosonization of the fermionic formulation of YM 2, improving on results in the literature, and we examine a number of non-perturbative aspects of this string/YM correspondence. We find contributions to the YM 2 partition function of order exp{- kA/( πα' gs)} with k an integer and A the area of the target space, which would correspond, in the string interpretation, to D1-branes. Effects which could be interpreted as D0-branes are instead strictly absent, suggesting a non-perturbative structure typical of type 0B string theories. We discuss effects from the YM side that are interpreted in terms of the stringy exclusion principle of Maldacena and Strominger. We also find numerically an interesting phase structure, with a region where YM 2 is described by a perturbative string theory separated from a region where it is described by a topological string theory.

  8. Numerical Analysis of Orbital Perturbation Effects on Inclined Geosynchronous SAR

    PubMed Central

    Dong, Xichao; Hu, Cheng; Long, Teng; Li, Yuanhao

    2016-01-01

    The geosynchronous synthetic aperture radar (GEO SAR) is susceptible to orbit perturbations, leading to orbit drifts and variations. The influences behave very differently from those in low Earth orbit (LEO) SAR. In this paper, the impacts of perturbations on GEO SAR orbital elements are modelled based on the perturbed dynamic equations, and then, the focusing is analyzed theoretically and numerically by using the Systems Tool Kit (STK) software. The accurate GEO SAR slant range histories can be calculated according to the perturbed orbit positions in STK. The perturbed slant range errors are mainly the first and second derivatives, leading to image drifts and defocusing. Simulations of the point target imaging are performed to validate the aforementioned analysis. In the GEO SAR with an inclination of 53° and an argument of perigee of 90°, the Doppler parameters and the integration time are different and dependent on the geometry configurations. Thus, the influences are varying at different orbit positions: at the equator, the first-order phase errors should be mainly considered; at the perigee and apogee, the second-order phase errors should be mainly considered; at other positions, first-order and second-order exist simultaneously. PMID:27598168

  9. The Safety of Artemisinin Derivatives for the Treatment of Malaria in the 2nd or 3rd Trimester of Pregnancy: A Systematic Review and Meta-Analysis

    PubMed Central

    van Eijk, Anna Maria; Sevene, Esperanca; Dellicour, Stephanie; Weiss, Noel S.; Emerson, Scott; Steketee, Richard; ter Kuile, Feiko O.; Stergachis, Andy

    2016-01-01

    Given the high morbidity for mother and fetus associated with malaria in pregnancy, safe and efficacious drugs are needed for treatment. Artemisinin derivatives are the most effective antimalarials, but are associated with teratogenic and embryotoxic effects in animal models when used in early pregnancy. However, several organ systems are still under development later in pregnancy. We conducted a systematic review and meta-analysis of the occurrence of adverse pregnancy outcomes among women treated with artemisinins monotherapy or as artemisinin-based combination therapy during the 2nd or 3rd trimesters relative to pregnant women who received non-artemisinin antimalarials or none at all. Pooled odds ratio (POR) were calculated using Mantel-Haenszel fixed effects model with a 0.5 continuity correction for zero events. Eligible studies were identified through Medline, Embase, and the Malaria in Pregnancy Consortium Library. Twenty studies (11 cohort studies and 9 randomized controlled trials) contributed to the analysis, with 3,707 women receiving an artemisinin, 1,951 a non-artemisinin antimalarial, and 13,714 no antimalarial. The PORs (95% confidence interval (CI)) for stillbirth, fetal loss, and congenital anomalies when comparing artemisinin versus quinine were 0.49 (95% CI 0.24–0.97, I2 = 0%, 3 studies); 0.58 (95% CI 0.31–1.16, I2 = 0%, 6 studies); and 1.00 (95% CI 0.27–3.75, I2 = 0%, 3 studies), respectively. The PORs comparing artemisinin users to pregnant women who received no antimalarial were 1.13 (95% CI 0.77–1.66, I2 = 86.7%, 3 studies); 1.10 (95% CI 0.79–1.54, I2 = 0%, 4 studies); and 0.79 (95% CI 0.37–1.67, I2 = 0%, 3 studies) for miscarriage, stillbirth and congenital anomalies respectively. Treatment with artemisinin in 2nd and 3rd trimester was not associated with increased risks of congenital malformations or miscarriage and may be was associated with a reduced risk of stillbirths compared to quinine. This study updates the reviews

  10. Tracking perturbations in Boolean networks with spectral methods

    NASA Astrophysics Data System (ADS)

    Kesseli, Juha; Rämö, Pauli; Yli-Harja, Olli

    2005-08-01

    In this paper we present a method for predicting the spread of perturbations in Boolean networks. The method is applicable to networks that have no regular topology. The prediction of perturbations can be performed easily by using a presented result which enables the efficient computation of the required iterative formulas. This result is based on abstract Fourier transform of the functions in the network. In this paper the method is applied to show the spread of perturbations in networks containing a distribution of functions found from biological data. The advances in the study of the spread of perturbations can directly be applied to enable ways of quantifying chaos in Boolean networks. Derrida plots over an arbitrary number of time steps can be computed and thus distributions of functions compared with each other with respect to the amount of order they create in random networks.

  11. Cosmological perturbations from a spectator field during inflation

    NASA Astrophysics Data System (ADS)

    Wang, Lingfei; Mazumdar, Anupam

    2013-05-01

    In this paper we will discuss analytically the perturbations created from a slowly rolling subdominant spectator field which decays much before the end of inflation. The quantum fluctuations of such a spectator field can seed perturbations on very large scales and explain the temperature anisotropy in the cosmic microwave background radiation with moderate non-Gaussianity, provided the relevant modes leave the Hubble patch while the spectator is slowly rolling. Furthermore, the perturbations are purely adiabatic since the inflaton decay dominates and creates all the Standard Model degrees of freedom. We will provide two examples for the spectator field potential, one with a step function profile, and the other with an inflection point. In both the cases we will compute higher order curvature perturbations, i.e. local bispectrum and trispectrum, which can be constrained by the forthcoming Planck data.

  12. Capillary-mediated interface perturbations: Deterministic pattern formation

    NASA Astrophysics Data System (ADS)

    Glicksman, Martin E.

    2016-09-01

    Leibniz-Reynolds analysis identifies a 4th-order capillary-mediated energy field that is responsible for shape changes observed during melting, and for interface speed perturbations during crystal growth. Field-theoretic principles also show that capillary-mediated energy distributions cancel over large length scales, but modulate the interface shape on smaller mesoscopic scales. Speed perturbations reverse direction at specific locations where they initiate inflection and branching on unstable interfaces, thereby enhancing pattern complexity. Simulations of pattern formation by several independent groups of investigators using a variety of numerical techniques confirm that shape changes during both melting and growth initiate at locations predicted from interface field theory. Finally, limit cycles occur as an interface and its capillary energy field co-evolve, leading to synchronized branching. Synchronous perturbations produce classical dendritic structures, whereas asynchronous perturbations observed in isotropic and weakly anisotropic systems lead to chaotic-looking patterns that remain nevertheless deterministic.

  13. Jet Perturbation by HE target

    SciTech Connect

    Poulsen, P; Kuklo, R M

    2001-03-01

    We have previously reported the degree of attenuation and perturbation by a Cu jet passing through Comp B explosive. Similar tests have now been performed with high explosive (HE) targets having CJ pressures higher than and lower than the CJ pressure of Comp B. The explosives were LX-14 and TNT, respectively. We found that the measured exit velocity of the jet where it transitions from perturbed to solid did not vary significantly as a function of HE type for each HE thickness. The radial momentum imparted to the perturbed jet segment did vary as a function of HE type, however, and we report the radial spreading of the jet and the penetration of a downstream target as a function of HE type and thickness.

  14. Reconstructing the cosmic Horseshoe gravitational lens using the singular perturbative approach.

    NASA Astrophysics Data System (ADS)

    Alard, C.

    2017-01-01

    The reconstruction of the cosmic horseshoe gravitational lens using the perturbative method reveals the presence of significant third order terms. The presence of these higher order terms is apparent in the numerical expansion of the perturbative fields in Fourier series. The expansion of the fields at order 2 produces a higher value of the chi-square. Expanding at order 3 provides a very significant improvement, while order 4 does not bring a significant improvement over order 3. The presence of the order 3 terms is not a consequence of limiting the perturbative expansion to the first order. The amplitude and signs of the third order terms are recovered by including the contribution of the other group members. This analysis demonstrates that the fine details of the potential of the lens could be recovered independently of any initial assumptions by using the perturbative approach.

  15. Multi-field inflation and cosmological perturbations

    NASA Astrophysics Data System (ADS)

    Gong, Jinn-Ouk

    We provide a concise review on multi-field inflation and cosmological perturbations. We discuss convenient and physically meaningful bases in terms of which perturbations can be systematically studied. We give formal accounts on the gauge fixing conditions and present the perturbation action in two gauges. We also briefly review nonlinear perturbations.

  16. Effective gravitational couplings for cosmological perturbations in generalized Proca theories

    NASA Astrophysics Data System (ADS)

    De Felice, Antonio; Heisenberg, Lavinia; Kase, Ryotaro; Mukohyama, Shinji; Tsujikawa, Shinji; Zhang, Ying-li

    2016-08-01

    We consider the finite interactions of the generalized Proca theory including the sixth-order Lagrangian and derive the full linear perturbation equations of motion on the flat Friedmann-Lemaître-Robertson-Walker background in the presence of a matter perfect fluid. By construction, the propagating degrees of freedom (besides the matter perfect fluid) are two transverse vector perturbations, one longitudinal scalar, and two tensor polarizations. The Lagrangians associated with intrinsic vector modes neither affect the background equations of motion nor the second-order action of tensor perturbations, but they do give rise to nontrivial modifications to the no-ghost condition of vector perturbations and to the propagation speeds of vector and scalar perturbations. We derive the effective gravitational coupling Geff with matter density perturbations under a quasistatic approximation on scales deep inside the sound horizon. We find that the existence of intrinsic vector modes allows a possibility for reducing Geff. In fact, within the parameter space, Geff can be even smaller than the Newton gravitational constant G at the late cosmological epoch, with a peculiar phantom dark energy equation of state (without ghosts). The modifications to the slip parameter η and the evolution of the growth rate f σ8 are discussed as well. Thus, dark energy models in the framework of generalized Proca theories can be observationally distinguished from the Λ CDM model according to both cosmic growth and expansion history. Furthermore, we study the evolution of vector perturbations and show that outside the vector sound horizon the perturbations are nearly frozen and start to decay with oscillations after the horizon entry.

  17. Thermal perturbation of the Sun

    NASA Technical Reports Server (NTRS)

    Twigg, L. W.; Endal, A. S.

    1981-01-01

    An investigation of thermal perturbations of the solar convective zone via changes in the mixing length parameter were carried out, with a view toward understanding the possible solar radius and luminosity changes cited in the literature. The results show that: (a) a single perturbation of alpha is probably not the cause of the solar radius change and (b) the parameter W = d lambda nR./d lambda nL. can not be characterized by a single value, as implied in recent work.

  18. The Futures of Adult Educator(s): Agency, Identity and Ethos. Joint Conference Proceedings of the 2nd ESREA/ReNAdET Meeting and the 4th TQF Seminar (Tallinn, Estonia, November 9-11, 2011)

    ERIC Educational Resources Information Center

    Heikkinen, Anja, Ed.; Jogi, Larissa, Ed.; Jutte, Wolfgang, Ed.; Zarifis, Georgios K., Ed.

    2012-01-01

    This edited volume contains the papers presented in the 2nd ESREA|ReNAdet meeting that was jointly organised with the VET & CULTURE Network in the University of Tallinn (Estonia), 9-11 November 2011. The papers that appear in the volume discuss the future (or the futures) of adult educators in respect to issues of developing their identities…

  19. Stable isotope and trace element studies on gladiators and contemporary Romans from Ephesus (Turkey, 2nd and 3rd Ct. AD)--mplications for differences in diet.

    PubMed

    Lösch, Sandra; Moghaddam, Negahnaz; Grossschmidt, Karl; Risser, Daniele U; Kanz, Fabian

    2014-01-01

    The gladiator cemetery discovered in Ephesus (Turkey) in 1993 dates to the 2nd and 3rd century AD. The aim of this study is to reconstruct diverse diet, social stratification, and migration of the inhabitants of Roman Ephesus and the distinct group of gladiators. Stable carbon, nitrogen, and sulphur isotope analysis were applied, and inorganic bone elements (strontium, calcium) were determined. In total, 53 individuals, including 22 gladiators, were analysed. All individuals consumed C3 plants like wheat and barley as staple food. A few individuals show indication of consumption of C4 plants. The δ13C values of one female from the gladiator cemetery and one gladiator differ from all other individuals. Their δ34S values indicate that they probably migrated from another geographical region or consumed different foods. The δ15N values are relatively low in comparison to other sites from Roman times. A probable cause for the depletion of 15N in Ephesus could be the frequent consumption of legumes. The Sr/Ca-ratios of the gladiators were significantly higher than the values of the contemporary Roman inhabitants. Since the Sr/Ca-ratio reflects the main Ca-supplier in the diet, the elevated values of the gladiators might suggest a frequent use of a plant ash beverage, as mentioned in ancient texts.

  20. Stable Isotope and Trace Element Studies on Gladiators and Contemporary Romans from Ephesus (Turkey, 2nd and 3rd Ct. AD) - Implications for Differences in Diet

    PubMed Central

    Lösch, Sandra; Moghaddam, Negahnaz; Grossschmidt, Karl; Risser, Daniele U.; Kanz, Fabian

    2014-01-01

    The gladiator cemetery discovered in Ephesus (Turkey) in 1993 dates to the 2nd and 3rd century AD. The aim of this study is to reconstruct diverse diet, social stratification, and migration of the inhabitants of Roman Ephesus and the distinct group of gladiators. Stable carbon, nitrogen, and sulphur isotope analysis were applied, and inorganic bone elements (strontium, calcium) were determined. In total, 53 individuals, including 22 gladiators, were analysed. All individuals consumed C3 plants like wheat and barley as staple food. A few individuals show indication of consumption of C4 plants. The δ13C values of one female from the gladiator cemetery and one gladiator differ from all other individuals. Their δ34S values indicate that they probably migrated from another geographical region or consumed different foods. The δ15N values are relatively low in comparison to other sites from Roman times. A probable cause for the depletion of 15N in Ephesus could be the frequent consumption of legumes. The Sr/Ca-ratios of the gladiators were significantly higher than the values of the contemporary Roman inhabitants. Since the Sr/Ca-ratio reflects the main Ca-supplier in the diet, the elevated values of the gladiators might suggest a frequent use of a plant ash beverage, as mentioned in ancient texts. PMID:25333366